Publications
Selected publications
- Procedures for large-scale metabolic profiling of serum and plasma using gas chromatography and liquid chromatography coupled to mass spectrometry (Journal article - 2011)
- Metabolomics by numbers: acquiring and understanding global metabolite data (Journal article - 2004)
- Guidelines and considerations for the use of system suitability and quality control samples in mass spectrometry assays applied in untargeted clinical metabolomic studies (Journal article - 2018)
- Recent developments in quantitative SERS: Moving towards absolute quantification (Journal article - 2018)
- Absolute Quantification of Uric Acid in Human Urine Using Surface Enhanced Raman Scattering with the Standard Addition Method (Journal article - 2017)
2025
Application of infrared spectroscopy to study carbon-deuterium kinetics and isotopic spectral shifts at the single-cell level.
Shams, S., Ahmed, S., Smaje, D., Tengsuttiwat, T., Lima, C., Goodacre, R., & Muhamadali, H. (2025). Application of infrared spectroscopy to study carbon-deuterium kinetics and isotopic spectral shifts at the single-cell level.. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 327, 125374. doi:10.1016/j.saa.2024.125374
Mind your Ps and Qs – Caveats in metabolomics data analysis
Xu, Y., & Goodacre, R. (2025). Mind your Ps and Qs – Caveats in metabolomics data analysis. TrAC Trends in Analytical Chemistry, 183, 118064. doi:10.1016/j.trac.2024.118064
2024
Metabolic response of Klebsiella oxytoca to ciprofloxacin exposure: a metabolomics approach.
Ahmed, S., Shams, S., Trivedi, D., Lima, C., McGalliard, R., Parry, C. M., . . . Goodacre, R. (2024). Metabolic response of Klebsiella oxytoca to ciprofloxacin exposure: a metabolomics approach.. Metabolomics : Official journal of the Metabolomic Society, 21(1), 8. doi:10.1007/s11306-024-02206-y
Metabolomic heterogeneity of ageing with ethnic diversity: a step closer to healthy ageing.
Trivedi, D., Hollywood, K. A., Xu, Y., Wu, F. C. W., Trivedi, D. K., & Goodacre, R. (2024). Metabolomic heterogeneity of ageing with ethnic diversity: a step closer to healthy ageing.. Metabolomics : Official journal of the Metabolomic Society, 21(1), 9. doi:10.1007/s11306-024-02199-8
Trends in Antimicrobial Resistance of Uropathogens Isolated from Urinary Tract Infections in a Tertiary Care Hospital in Dhaka, Bangladesh
Chowdhury, S. S., Tahsin, P., Xu, Y., Mosaddek, A. S. M., Muhamadali, H., & Goodacre, R. (n.d.). Trends in Antimicrobial Resistance of Uropathogens Isolated from Urinary Tract Infections in a Tertiary Care Hospital in Dhaka, Bangladesh. Antibiotics, 13(10), 925. doi:10.3390/antibiotics13100925
Analysis types and quantification methods applied in UHPLC-MS metabolomics research: a tutorial.
Beger, R. D., Goodacre, R., Jones, C. M., Lippa, K. A., Mayboroda, O. A., O'Neill, D., . . . Dunn, W. B. (2024). Analysis types and quantification methods applied in UHPLC-MS metabolomics research: a tutorial.. Metabolomics : Official journal of the Metabolomic Society, 20(5), 95. doi:10.1007/s11306-024-02155-6
Rapid Classification and Differentiation of Sepsis-Related Pathogens Using FT-IR Spectroscopy.
Ahmed, S., Albahri, J., Shams, S., Sosa-Portugal, S., Lima, C., Xu, Y., . . . Goodacre, R. (2024). Rapid Classification and Differentiation of Sepsis-Related Pathogens Using FT-IR Spectroscopy.. Microorganisms, 12(7), 1415. doi:10.3390/microorganisms12071415
An optical photothermal infrared investigation of lymph nodal metastases of oral squamous cell carcinoma.
Al Jedani, S., Lima, C., Smith, C. I., Gunning, P. J., Shaw, R. J., Barrett, S. D., . . . Weightman, P. (2024). An optical photothermal infrared investigation of lymph nodal metastases of oral squamous cell carcinoma.. Scientific reports, 14(1), 16050. doi:10.1038/s41598-024-66977-z
Benchmarking classification abilities of novel optical photothermal IR spectroscopy at the single-cell level with bulk FTIR measurements.
Richardson, P. I. C., Horsburgh, M. J., & Goodacre, R. (2024). Benchmarking classification abilities of novel optical photothermal IR spectroscopy at the single-cell level with bulk FTIR measurements.. Analytical methods : advancing methods and applications, 16(31), 5419-5425. doi:10.1039/d4ay00810c
Using surface-enhanced Raman scattering for simultaneous multiplex detection and quantification of thiols associated to axillary malodour.
Colleran, A., Lima, C., Xu, Y., Millichope, A., Murray, S., & Goodacre, R. (2024). Using surface-enhanced Raman scattering for simultaneous multiplex detection and quantification of thiols associated to axillary malodour.. The Analyst. doi:10.1039/d4an00762j
The 2024 Metabolomics publication awards
Goodacre, R. (n.d.). The 2024 Metabolomics publication awards. Metabolomics, 20(3). doi:10.1007/s11306-024-02132-z
Mobile guardians: Detection of food fraud with portable spectroscopy methods for enhanced food authenticity assurance
Stradling, J., Muhamadali, H., & Goodacre, R. (2024). Mobile guardians: Detection of food fraud with portable spectroscopy methods for enhanced food authenticity assurance. Vibrational Spectroscopy, 132, 103673. doi:10.1016/j.vibspec.2024.103673
Bacterial discrimination by Fourier transform infrared spectroscopy, MALDI-mass spectrometry and whole-genome sequencing.
McGalliard, R., Muhamadali, H., AlMasoud, N., Haldenby, S., Romero-Soriano, V., Allman, E., . . . Goodacre, R. (2024). Bacterial discrimination by Fourier transform infrared spectroscopy, MALDI-mass spectrometry and whole-genome sequencing.. Future microbiology. doi:10.2217/fmb-2024-0043
Life on Earth can grow on extraterrestrial organic carbon.
Waajen, A. C., Lima, C., Goodacre, R., & Cockell, C. S. (2024). Life on Earth can grow on extraterrestrial organic carbon.. Scientific reports, 14(1), 3691. doi:10.1038/s41598-024-54195-6
2023
Current Practices in LC-MS Untargeted Metabolomics: A Scoping Review on the Use of Pooled Quality Control Samples.
Broeckling, C. D., Beger, R. D., Cheng, L. L., Cumeras, R., Cuthbertson, D. J., Dasari, S., . . . Mosley, J. D. (2023). Current Practices in LC-MS Untargeted Metabolomics: A Scoping Review on the Use of Pooled Quality Control Samples.. Analytical chemistry, 95(51), 18645-18654. doi:10.1021/acs.analchem.3c02924
Monitoring Phenotype Heterogeneity at the Single-Cell Level within <i>Bacillus</i> Populations Producing Poly-3-hydroxybutyrate by Label-Free Super-resolution Infrared Imaging.
Lima, C., Muhamadali, H., & Goodacre, R. (2023). Monitoring Phenotype Heterogeneity at the Single-Cell Level within <i>Bacillus</i> Populations Producing Poly-3-hydroxybutyrate by Label-Free Super-resolution Infrared Imaging.. Analytical chemistry, 95(48), 17733-17740. doi:10.1021/acs.analchem.3c03595
Quantitative LC-MS study of compounds found predictive of COVID-19 severity and outcome.
Roberts, I., Wright Muelas, M., Taylor, J. M., Davison, A. S., Winder, C. L., Goodacre, R., & Kell, D. B. (2023). Quantitative LC-MS study of compounds found predictive of COVID-19 severity and outcome.. Metabolomics : Official journal of the Metabolomic Society, 19(11), 87. doi:10.1007/s11306-023-02048-0
Focusing Ion Funnel-assisted Ambient Electrospray enables High-Density and Uniform Deposition of Non-spherical Gold Nanoparticles for Highly Sensitive Surface-enhanced Raman Scattering
Akbali, B., Boisdon, C., Smith, B., Chaisrikhwun, B., Wongravee, K., Vilaivan, T., . . . Maher, S. (2023). Focusing Ion Funnel-assisted Ambient Electrospray enables High-Density and Uniform Deposition of Non-spherical Gold Nanoparticles for Highly Sensitive Surface-enhanced Raman Scattering. The Analyst. doi:10.1039/d3an01021j
Metabolomics of <i>Escherichia coli</i> for Disclosing Novel Metabolic Engineering Strategies for Enhancing Hydrogen and Ethanol Production
Valle, A., de la Calle, M. E., Muhamadali, H., Hollywood, K. A., Xu, Y., Lloyd, J. R., . . . Bolivar, J. (2023). Metabolomics of <i>Escherichia coli</i> for Disclosing Novel Metabolic Engineering Strategies for Enhancing Hydrogen and Ethanol Production. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 24(14). doi:10.3390/ijms241411619
Quantifying PG : VG ratio and nicotine content in commercially available e-liquids using handheld Raman spectroscopy
Richardson, P. I. C., Burke, A., Gotts, N., & Goodacre, R. (2023). Quantifying PG : VG ratio and nicotine content in commercially available e-liquids using handheld Raman spectroscopy. ANALYST, 148(17), 4002-4011. doi:10.1039/d3an00888f
Unlocking the secrets of the microbiome: exploring the dynamic microbial interplay with humans through metabolomics and their manipulation for synthetic biology applications.
Muhamadali, H., Winder, C. L., Dunn, W. B., & Goodacre, R. (2023). Unlocking the secrets of the microbiome: exploring the dynamic microbial interplay with humans through metabolomics and their manipulation for synthetic biology applications.. The Biochemical journal, 480(12), 891-908. doi:10.1042/bcj20210534
Analysis of exhaled breath to identify critically ill patients with ventilator-associated pneumonia
Felton, T. W., Ahmed, W., White, I. R., van Oort, P., Rattray, N. J. W., Docherty, C., . . . Fowler, S. J. (2023). Analysis of exhaled breath to identify critically ill patients with ventilator-associated pneumonia. ANAESTHESIA, 78(6), 712-721. doi:10.1111/anae.15999
Rapid detection and quantification of paracetamol and its major metabolites using surface enhanced Raman scattering
AlMasoud, N., Alomar, T. S., Xu, Y., Lima, C., & Goodacre, R. (2023). Rapid detection and quantification of paracetamol and its major metabolites using surface enhanced Raman scattering. ANALYST, 148(8), 1805-1814. doi:10.1039/d3an00249g
Monitoring glucose levels in urine using FTIR spectroscopy combined with univariate and multivariate statistical methods
Caixeta, D. C., Lima, C., Xu, Y., Guevara-Vega, M., Espindola, F. S., Goodacre, R., . . . Sabino-Silva, R. (2023). Monitoring glucose levels in urine using FTIR spectroscopy combined with univariate and multivariate statistical methods. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 290. doi:10.1016/j.saa.2022.122259
NEWS: the 2023 <i>Metabolomics</i> publication awards
Goodacre, R. (2023). NEWS: the 2023 <i>Metabolomics</i> publication awards. METABOLOMICS, 19(4). doi:10.1007/s11306-023-02000-2
Plant and microbial sciences as key drivers in the development of metabolomics research
Aharoni, A., Goodacre, R., & Fernie, A. R. (2023). Plant and microbial sciences as key drivers in the development of metabolomics research. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 120(12). doi:10.1073/pnas.2217383120
Ensuring Fact-Based Metabolite Identification in Liquid Chromatography-Mass Spectrometry-Based Metabolomics
Theodoridis, G., Gika, H., Raftery, D., Goodacre, R., Plumb, R. S., & Wilson, I. D. (2023). Ensuring Fact-Based Metabolite Identification in Liquid Chromatography-Mass Spectrometry-Based Metabolomics. ANALYTICAL CHEMISTRY. doi:10.1021/acs.analchem.2c05192
A proposed framework to evaluate the quality and reliability of targeted metabolomics assays from the UK Consortium on Metabolic Phenotyping (MAP/UK).
Sarmad, S., Viant, M. R., Dunn, W. B., Goodacre, R., Wilson, I. D., Chappell, K. E., . . . UK Consortium on Metabolic Phenotyping (MAP/UK). (2023). A proposed framework to evaluate the quality and reliability of targeted metabolomics assays from the UK Consortium on Metabolic Phenotyping (MAP/UK).. Nature protocols. doi:10.1038/s41596-022-00801-8
Raman analysis of inverse vulcanised polymers
Dodd, L. J., Lima, C., Costa-Milan, D., Neale, A. R., Saunders, B., Zhang, B., . . . Hasell, T. (2023). Raman analysis of inverse vulcanised polymers. POLYMER CHEMISTRY, 14(12), 1369-1386. doi:10.1039/d2py01408d
Geographical pattern of minerals and its association with health disparities in the USA.
Qu, B., Wu, S., Zhao, P., Ma, Z. F., Goodacre, R., Yuan, L., & Chen, Y. (2023). Geographical pattern of minerals and its association with health disparities in the USA.. Environmental geochemistry and health. doi:10.1007/s10653-023-01510-1
Investigating centrifugal filtration of serum-based FTIR spectroscopy for the stratification of brain tumours.
Theakstone, A. G., Brennan, P. M., Jenkinson, M. D., Goodacre, R., & Baker, M. J. (2023). Investigating centrifugal filtration of serum-based FTIR spectroscopy for the stratification of brain tumours.. PloS one, 18(2), e0279669. doi:10.1371/journal.pone.0279669
Optical photothermal infrared spectroscopy: A novel solution for rapid identification of antimicrobial resistance at the single-cell level <i>via</i> deuterium isotope labeling
Shams, S., Lima, C., Xu, Y., Ahmed, S., Goodacre, R., & Muhamadali, H. (2023). Optical photothermal infrared spectroscopy: A novel solution for rapid identification of antimicrobial resistance at the single-cell level <i>via</i> deuterium isotope labeling. FRONTIERS IN MICROBIOLOGY, 14. doi:10.3389/fmicb.2023.1077106
Non-invasive infrared spectroscopy of aqueous humour samples in glaucoma compared to controls
Vallabh, N. A., Lima, C., Levis, H., Muntasser, H., Kaye, S., & Goodacre, R. (2023). Non-invasive infrared spectroscopy of aqueous humour samples in glaucoma compared to controls. In INVESTIGATIVE OPHTHALMOLOGY & VISUAL SCIENCE Vol. 64. Retrieved from https://www.webofscience.com/
Optical Photothermal IR Spectroscopy Targets Single-Cell Metabolomics
Lima, C., & Goodacre, R. (2023). Optical Photothermal IR Spectroscopy Targets Single-Cell Metabolomics. Biophotonics International, 30(1), 38-42.
2022
Microbial volatiles as diagnostic biomarkers of bacterial lung infection in mechanically ventilated patients.
Ahmed, W. M., Fenn, D., White, I. R., Dixon, B., Nijsen, T. M. E., Knobel, H. H., . . . BreathDx Consortium. (2022). Microbial volatiles as diagnostic biomarkers of bacterial lung infection in mechanically ventilated patients.. Clinical infectious diseases : an official publication of the Infectious Diseases Society of America, ciac859. doi:10.1093/cid/ciac859
Simultaneous Multiplexed Quantification of Banned Sudan Dyes Using Surface Enhanced Raman Scattering and Chemometrics
Alomar, T. S., AlMasoud, N., Xu, Y., Lima, C., Akbali, B., Maher, S., & Goodacre, R. (n.d.). Simultaneous Multiplexed Quantification of Banned Sudan Dyes Using Surface Enhanced Raman Scattering and Chemometrics. Sensors, 22(20), 7832. doi:10.3390/s22207832
Optical photothermal infrared spectroscopy can differentiate equine osteoarthritic plasma extracellular vesicles from healthy controls
Clarke, E. J., Lima, C., Anderson, J. R., Castanheira, C., Beckett, A., James, V., . . . Peffers, M. J. (2022). Optical photothermal infrared spectroscopy can differentiate equine osteoarthritic plasma extracellular vesicles from healthy controls. ANALYTICAL METHODS. doi:10.1039/d2ay00779g
Quality assurance and quality control reporting in untargeted metabolic phenotyping: mQACC recommendations for analytical quality management
Kirwan, J. A., Gika, H., Beger, R. D., Bearden, D., Dunn, W. B., Goodacre, R., . . . Wilson, I. D. (2022). Quality assurance and quality control reporting in untargeted metabolic phenotyping: mQACC recommendations for analytical quality management. METABOLOMICS, 18(9). doi:10.1007/s11306-022-01926-3
Metabolomics for the design of new metabolic engineering strategies for improving aerobic succinic acid production in <i>Escherichia coli</i>
Valle, A., Soto, Z., Muhamadali, H., Hollywood, K. A., Xu, Y., Lloyd, J. R., . . . Bolivar, J. (2022). Metabolomics for the design of new metabolic engineering strategies for improving aerobic succinic acid production in <i>Escherichia coli</i>. METABOLOMICS, 18(8). doi:10.1007/s11306-022-01912-9
Composition and diversity analysis of the lung microbiome in patients with suspected ventilator-associated pneumonia.
Fenn, D., Abdel-Aziz, M. I., van Oort, P. M. P., Brinkman, P., Ahmed, W. M., Felton, T., . . . BreathDx Consortium. (2022). Composition and diversity analysis of the lung microbiome in patients with suspected ventilator-associated pneumonia.. Critical care (London, England), 26(1), 203. doi:10.1186/s13054-022-04068-z
Simultaneous Raman and infrared spectroscopy: a novel combination for studying bacterial infections at the single cell level
Lima, C., Ahmed, S., Xu, Y., Muhamadali, H., Parry, C., McGalliard, R. J., . . . Goodacre, R. (2022). Simultaneous Raman and infrared spectroscopy: a novel combination for studying bacterial infections at the single cell level. CHEMICAL SCIENCE. doi:10.1039/d2sc02493d
Metabolic Fingerprint Analysis of Cytochrome <i>b</i><sub>5</sub>-producing <i>E. coli</i> N4830-1 Using FT-IR Spectroscopy
Tengsuttiwat, T., Kaderbhai, N. N., Gallagher, J., Goodacre, R., & Muhamadali, H. (2022). Metabolic Fingerprint Analysis of Cytochrome <i>b</i><sub>5</sub>-producing <i>E. coli</i> N4830-1 Using FT-IR Spectroscopy. FRONTIERS IN MICROBIOLOGY, 13. doi:10.3389/fmicb.2022.874247
Simultaneous Raman and Infrared Spectroscopy of Stable Isotope Labelled <i>Escherichia coli</i>
Lima, C., Muhamadali, H., & Goodacre, R. (2022). Simultaneous Raman and Infrared Spectroscopy of Stable Isotope Labelled <i>Escherichia coli</i>. SENSORS, 22(10). doi:10.3390/s22103928
Reference materials for MS-based untargeted metabolomics and lipidomics: a review by the metabolomics quality assurance and quality control consortium (mQACC).
Lippa, K. A., Aristizabal-Henao, J. J., Beger, R. D., Bowden, J. A., Broeckling, C., Beecher, C., . . . Ubhi, B. K. (2022). Reference materials for MS-based untargeted metabolomics and lipidomics: a review by the metabolomics quality assurance and quality control consortium (mQACC).. Metabolomics : Official journal of the Metabolomic Society, 18(4), 24. doi:10.1007/s11306-021-01848-6
NEWS: The 2022 Metabolomics publication awards.
Goodacre, R. (2022). NEWS: The 2022 Metabolomics publication awards.. Metabolomics : Official journal of the Metabolomic Society, 18(4), 22. doi:10.1007/s11306-022-01882-y
NOVEL SPECTROSCOPY TECHNIQUES USED TO INTERROGATE EQUINE OSTEOARTHRITIC EXTRACELLULAR VESICLES
Clarke, E. J., Lima, C., Anderson, J. R., Castanheira, C., Hyett, J., Goodacre, R., & Peffers, M. J. (2022). NOVEL SPECTROSCOPY TECHNIQUES USED TO INTERROGATE EQUINE OSTEOARTHRITIC EXTRACELLULAR VESICLES. OSTEOARTHRITIS AND CARTILAGE, 30, S95-S96. Retrieved from https://www.webofscience.com/
Rapid detection and quantification of the adulteration of orange juice with grapefruit juice using handheld Raman spectroscopy and multivariate analysis
Varnasseri, M., Xu, Y., & Goodacre, R. (2022). Rapid detection and quantification of the adulteration of orange juice with grapefruit juice using handheld Raman spectroscopy and multivariate analysis. ANALYTICAL METHODS. doi:10.1039/d2ay00219a
Untargeted metabolomics of COVID-19 patient serum reveals potential prognostic markers of both severity and outcome
Roberts, I., Muelas, M. W., Taylor, J. M., Davison, A. S., Xu, Y., Grixti, J. M., . . . Kell, D. B. (2022). Untargeted metabolomics of COVID-19 patient serum reveals potential prognostic markers of both severity and outcome. METABOLOMICS, 18(1). doi:10.1007/s11306-021-01859-3
Comparative analysis of serum obtained in early pregnancy using Fourier transform-infrared spectroscopy to predict tubal ectopic pregnancy and miscarriage
Lima, C., Dutton, P., Hill, C., Busuulwa, P., Goodacre, R., & Hapangama, D. (2022). Comparative analysis of serum obtained in early pregnancy using Fourier transform-infrared spectroscopy to predict tubal ectopic pregnancy and miscarriage. In HUMAN REPRODUCTION Vol. 37 (pp. I395-I396). Retrieved from https://www.webofscience.com/
Predicting tubal ectopic pregnancy and miscarriage in serum using Fourier transform-infrared spectroscopy
Dutton, P., Lima, C., Hill, C., Busuulwa, P., Goodacre, R., & Hapangama, D. (2022). Predicting tubal ectopic pregnancy and miscarriage in serum using Fourier transform-infrared spectroscopy. In BJOG-AN INTERNATIONAL JOURNAL OF OBSTETRICS AND GYNAECOLOGY Vol. 129 (pp. 19-20). Retrieved from https://www.webofscience.com/
Rapid spectroscopic liquid biopsy for the early detection of brain tumors.
Sala, A., Theakstone, A. G., Brennan, P. M., Jenkinson, M. D., Mills, S. J., Syed, K., . . . Baker, M. J. (2022). Rapid spectroscopic liquid biopsy for the early detection of brain tumors.. In CANCER RESEARCH Vol. 82. Retrieved from https://www.webofscience.com/
Small and low-grade glioma detections using serum-based ATR-FTIR
Theakstone, A., Brennan, P., Jenkinson, M., Goodacre, R., & Baker, M. (2022). Small and low-grade glioma detections using serum-based ATR-FTIR. In JOURNAL OF CEREBRAL BLOOD FLOW AND METABOLISM Vol. 42 (pp. 142-143). Retrieved from https://www.webofscience.com/
Untargeted Molecular Analysis of Exhaled Breath as a Diagnostic Test for Ventilator-Associated Lower Respiratory Tract Infections (BreathDx)
van Oort, P. M. P., Nijsen, T. M., White, I. R., Knobel, H. H., Felton, T., Rattray, N., . . . Bos, L. D. (2022). Untargeted Molecular Analysis of Exhaled Breath as a Diagnostic Test for Ventilator-Associated Lower Respiratory Tract Infections (BreathDx). THORAX, 77(1), 79-81. doi:10.1136/thoraxjnl-2021-217362
2021
Breath and plasma metabolomics to assess inflammation in acute stroke
Ahmed, W., White, I. R., Wilkinson, M., Johnson, C. F., Rattray, N., Kishore, A. K., . . . Fowler, S. J. (2021). Breath and plasma metabolomics to assess inflammation in acute stroke. SCIENTIFIC REPORTS, 11(1). doi:10.1038/s41598-021-01268-5
Assessing the impact of nitrogen supplementation in oats across multiple growth locations and years with targeted phenotyping and high-resolution metabolite profiling approaches.
Allwood, J. W., Martinez-Martin, P., Xu, Y., Cowan, A., Pont, S., Griffiths, I., . . . Howarth, C. (2021). Assessing the impact of nitrogen supplementation in oats across multiple growth locations and years with targeted phenotyping and high-resolution metabolite profiling approaches. FOOD CHEMISTRY, 355. doi:10.1016/j.foodchem.2021.129585
Portable through Bottle SORS for the Authentication of Extra Virgin Olive Oil
Varnasseri, M., Muhamadali, H., Xu, Y., Richardson, P. I. C., Byrd, N., Ellis, D. I., . . . Goodacre, R. (2021). Portable through Bottle SORS for the Authentication of Extra Virgin Olive Oil. APPLIED SCIENCES-BASEL, 11(18). doi:10.3390/app11188347
Understanding the Metabolomics of Uveal Melanoma
Matareed, M., Figueiredo, C., Muhamadali, H., Goodacre, R., Muelas, M. W., Kalirai, H., & Coupland, S. E. (2021). Understanding the Metabolomics of Uveal Melanoma. In JOURNAL OF PATHOLOGY Vol. 255 (pp. S54). Retrieved from https://www.webofscience.com/
Spectral artefacts induced by moving targets in live hyperspectral stimulated Raman spectroscopy: the case of lipid droplets in yeast cells
Lima, C., Theron, C. W., Muhamadali, H., Kell, D. B., & Goodacre, R. (2021). Spectral artefacts induced by moving targets in live hyperspectral stimulated Raman spectroscopy: the case of lipid droplets in yeast cells. Clinical Spectroscopy, 100014. doi:10.1016/j.clispe.2021.100014
Rapid Spectroscopic Liquid Biopsy for the Universal Detection of Brain Tumours
Theakstone, A. G., Brennan, P. M., Jenkinson, M. D., Mills, S. J., Syed, K., Rinaldi, C., . . . Baker, M. J. (n.d.). Rapid Spectroscopic Liquid Biopsy for the Universal Detection of Brain Tumours. Cancers, 13(15), 3851. doi:10.3390/cancers13153851
The Role of Raman Spectroscopy Within Quantitative Metabolomics
Lima, C., Muhamadali, H., & Goodacre, R. (2021). The Role of Raman Spectroscopy Within Quantitative Metabolomics. Annual Review of Analytical Chemistry, 14(1). doi:10.1146/annurev-anchem-091420-092323
The 2021 Metabolomics publication awards.
Goodacre, R. (2021). The 2021 Metabolomics publication awards.. Metabolomics : Official journal of the Metabolomic Society, 17(4), 35. doi:10.1007/s11306-021-01785-4
Metabolomics of sebum reveals lipid dysregulation in Parkinson's disease
Sinclair, E., Trivedi, D. K., Sarkar, D., Walton-Doyle, C., Milne, J., Kunath, T., . . . Barran, P. (2021). Metabolomics of sebum reveals lipid dysregulation in Parkinson's disease. NATURE COMMUNICATIONS, 12(1). doi:10.1038/s41467-021-21669-4
Imaging Isotopically Labeled Bacteria at the Single-Cell Level Using High-Resolution Optical Infrared Photothermal Spectroscopy.
Lima, C., Muhamadali, H., Xu, Y., Kansiz, M., & Goodacre, R. (2021). Imaging Isotopically Labeled Bacteria at the Single-Cell Level Using High-Resolution Optical Infrared Photothermal Spectroscopy.. Analytical chemistry. doi:10.1021/acs.analchem.0c03967
Metabolism in action: stable isotope probing using vibrational spectroscopy and SIMS reveals kinetic and metabolic flux of key substrates
Chisanga, M., Muhamadali, H., Mcdougall, D., Xu, Y., Lockyer, N., & Goodacre, R. (2021). Metabolism in action: stable isotope probing using vibrational spectroscopy and SIMS reveals kinetic and metabolic flux of key substrates. The Analyst. doi:10.1039/d0an02319a
Simultaneous quantification of the boar-taint compounds skatole and androstenone by surface-enhanced Raman scattering (SERS) and multivariate data analysis
Sorensen, K. M., Westley, C., Goodacre, R., & Engelsen, S. B. (2015). Simultaneous quantification of the boar-taint compounds skatole and androstenone by surface-enhanced Raman scattering (SERS) and multivariate data analysis. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 407(25), 7787-7795. doi:10.1007/s00216-015-8945-2
2020
Comparability of Raman Spectroscopic Configurations: A Large Scale Cross-Laboratory Study
Guo, S., Beleites, C., Neugebauer, U., Abalde-Cela, S., Afseth, N. K., Alsamad, F., . . . Bocklitz, T. (2020). Comparability of Raman Spectroscopic Configurations: A Large Scale Cross-Laboratory Study. ANALYTICAL CHEMISTRY, 92(24), 15745-15756. doi:10.1021/acs.analchem.0c02696
Detection and quantification of exhaled volatile organic compounds in mechanically ventilated patients - comparison of two sampling methods.
van Oort, P. M. P., White, I. R., Ahmed, W., Johnson, C., Bannard-Smith, J., Felton, T., . . . Fowler, S. J. (2020). Detection and quantification of exhaled volatile organic compounds in mechanically ventilated patients - comparison of two sampling methods.. The Analyst. doi:10.1039/c9an01134j
Targeting Methionine Synthase in a Fungal Pathogen Causes a Metabolic Imbalance That Impacts Cell Energetics, Growth, and Virulence.
Scott, J., Sueiro-Olivares, M., Thornton, B. P., Owens, R. A., Muhamadali, H., Fortune-Grant, R., . . . Amich, J. (2020). Targeting Methionine Synthase in a Fungal Pathogen Causes a Metabolic Imbalance That Impacts Cell Energetics, Growth, and Virulence. MBIO, 11(5). doi:10.1128/mBio.01985-20
Effects of high relative humidity and dry purging on VOCs obtained during breath sampling on common sorbent tubes.
Wilkinson, M., White, I. R., Goodacre, R., Nijsen, T. M. E., & Fowler, S. J. (2020). Effects of high relative humidity and dry purging on VOCs obtained during breath sampling on common sorbent tubes.. Journal of Breath Research: volatiles for medical diagnosis, 14(4). doi:10.1088/1752-7163/ab7e17
Sensitive and selective detection of DNA fragments associated with Ganoderma boninense by DNA-nanoparticle conjugate hybridisation
Rani, E., Mohshim, S. A., Yusof, N. H., Ahmad, M. Z., Goodacre, R., Alang Ahmad, S. A., & Wong, L. S. (2020). Sensitive and selective detection of DNA fragments associated with Ganoderma boninense by DNA-nanoparticle conjugate hybridisation. Journal of Materials Science, 55(30), 14965-14979. doi:10.1007/s10853-020-05058-8
Evaluation of Sample Preparation Methods for Inter-Laboratory Metabolomics Investigation of <i>Streptomyces lividans</i> TK24
Muhamadali, H., Simoens, K., Xu, Y., Nicolai, B., Bernaerts, K., & Goodacre, R. (2020). Evaluation of Sample Preparation Methods for Inter-Laboratory Metabolomics Investigation of <i>Streptomyces lividans</i> TK24. METABOLITES, 10(9). doi:10.3390/metabo10090379
Comparison of liver and plasma metabolic profiles in piglets of different ages as animal models for paediatric population.
Albóniga, O. E., González, O., Alonso, R. M., Xu, Y., & Goodacre, R. (2020). Comparison of liver and plasma metabolic profiles in piglets of different ages as animal models for paediatric population.. The Analyst. doi:10.1039/d0an00254b
Raman Spectroscopy to Monitor Post-Translational Modifications and Degradation in Monoclonal Antibody Therapeutics.
McAvan, B. S., Bowsher, L. A., Powell, T., O'Hara, J. F., Spitali, M., Goodacre, R., & Doig, A. J. (2020). Raman Spectroscopy to Monitor Post-Translational Modifications and Degradation in Monoclonal Antibody Therapeutics.. Analytical Chemistry, 92(15), 10381-10389. doi:10.1021/acs.analchem.0c00627
Assessment of transdermal delivery of topical compounds in skin scarring using a novel combined approach of Raman spectroscopy and HPLC.
Basson, R., Lima, C., Muhamadali, H., Li, W., Hollywood, K., Li, L., . . . Bayat, A. (2020). Assessment of transdermal delivery of topical compounds in skin scarring using a novel combined approach of Raman spectroscopy and HPLC.. Adv Wound Care (New Rochelle). doi:10.1089/wound.2020.1154
Quantification of protein glycation using vibrational spectroscopy.
McAvan, B. S., France, A. P., Bellina, B., Barran, P. E., Goodacre, R., & Doig, A. J. (2020). Quantification of protein glycation using vibrational spectroscopy.. The Analyst. doi:10.1039/c9an02318f
The 2020 metabolomics publication awards.
Goodacre, R. (2020). The 2020 metabolomics publication awards. METABOLOMICS, 16(5). doi:10.1007/s11306-020-01664-4
Radiation Tolerance of <i>Pseudanabaena catenata</i>, a Cyanobacterium Relevant to the First Generation Magnox Storage Pond
Foster, L., Muhamadali, H., Boothman, C., Sigee, D., Pittman, J. K., Goodacre, R., . . . Lloyd, J. R. (2020). Radiation Tolerance of <i>Pseudanabaena catenata</i>, a Cyanobacterium Relevant to the First Generation Magnox Storage Pond. FRONTIERS IN MICROBIOLOGY, 11. doi:10.3389/fmicb.2020.00515
Comparative Metabolomics and Molecular Phylogenetics of Melon (<i>Cucumis melo</i>, Cucurbitaceae) Biodiversity
Moing, A., Allwood, J. W., Aharoni, A., Baker, J., Beale, M. H., Ben-Dor, S., . . . Schaffer, A. A. (2020). Comparative Metabolomics and Molecular Phylogenetics of Melon (<i>Cucumis melo</i>, Cucurbitaceae) Biodiversity. METABOLITES, 10(3). doi:10.3390/metabo10030121
Surface Enhanced Raman Spectroscopy for quantitative analysis: results of a large-scale European multi-instrument interlaboratory study.
Fornasaro, S., Alsamad, F., Baia, M., Batista de Carvalho, L. A. E., Beleites, C., Byrne, H. J., . . . Bonifacio, A. (2020). Surface Enhanced Raman Spectroscopy for Quantitative Analysis: Results of a Large-Scale European Multi-Instrument Interlaboratory Study. ANALYTICAL CHEMISTRY, 92(5), 4053-4064. doi:10.1021/acs.analchem.9b05658
Development of a sensor device with polymer-coated piezoelectric micro-cantilevers for detection of volatile organic compounds
Ahmed, W. M., Steenwelle, R. J. A., Knobel, H. H., Davie, A., Steijvers, R., Verhoeckx, F., . . . Nijsen, T. M. (2020). Development of a sensor device with polymer-coated piezoelectric micro-cantilevers for detection of volatile organic compounds. Measurement Science and Technology, 31(3), 035103. doi:10.1088/1361-6501/ab4f2f
Optimization of XCMS parameters for LC-MS metabolomics: an assessment of automated versus manual tuning and its effect on the final results
Alboniga, O. E., Gonzalez, O., Alonso, R. M., Xu, Y., & Goodacre, R. (2020). Optimization of XCMS parameters for LC-MS metabolomics: an assessment of automated versus manual tuning and its effect on the final results. METABOLOMICS, 16(1). doi:10.1007/s11306-020-1636-9
A microbiome and metabolomic signature of phases of cutaneous healing identified by profiling sequential acute wounds of human skin: An exploratory study
Ashrafi, M., Xu, Y., Muhamadali, H., White, I., Wilkinson, M., Hollywood, K., . . . Bayat, A. (2020). A microbiome and metabolomic signature of phases of cutaneous healing identified by profiling sequential acute wounds of human skin: An exploratory study. PLOS ONE, 15(2). doi:10.1371/journal.pone.0229545
The role of metabolomics in personalized medicine
Trivedi, D. K., & Goodacre, R. (2020). The role of metabolomics in personalized medicine. In Metabolomics for Biomedical Research (pp. 227-244). Elsevier. doi:10.1016/b978-0-12-812784-1.00011-6
2019
Rapid differentiation of Campylobacter jejuni cell wall mutants using Raman spectroscopy, SERS and mass spectrometry combined with chemometrics.
Chisanga, M., Linton, D., Muhamadali, H., Ellis, D. I., Kimber, R. L., Mironov, A., & Goodacre, R. (2019). Rapid differentiation of Campylobacter jejuni cell wall mutants using Raman spectroscopy, SERS and mass spectrometry combined with chemometrics.. The Analyst. doi:10.1039/c9an02026h
Global metabolite profiles of rice brown planthopper-resistant traits reveal potential secondary metabolites for both constitutive and inducible defenses
Uawisetwathana, U., Chevallier, O. P., Xu, Y., Kamolsukyeunyong, W., Nookaew, I., Somboon, T., . . . Karoonuthaisiri, N. (2019). Global metabolite profiles of rice brown planthopper-resistant traits reveal potential secondary metabolites for both constitutive and inducible defenses. METABOLOMICS, 15(12). doi:10.1007/s11306-019-1616-0
Metabolic dysregulation in vitamin E and carnitine shuttle energy mechanisms associate with human frailty
Rattray, N. J. W., Trivedi, D. K., Xu, Y., Chandola, T., Johnson, C. H., Marshall, A. D., . . . Goodacre, R. (2019). Metabolic dysregulation in vitamin E and carnitine shuttle energy mechanisms associate with human frailty. NATURE COMMUNICATIONS, 10. doi:10.1038/s41467-019-12716-2
Present and Future of Surface-Enhanced Raman Scattering.
Langer, J., Jimenez de Aberasturi, D., Aizpurua, J., Alvarez-Puebla, R. A., Auguié, B., Baumberg, J. J., . . . Liz-Marzán, L. M. (2019). Present and Future of Surface-Enhanced Raman Scattering.. ACS nano. doi:10.1021/acsnano.9b04224
Circadian rhythm of exhaled biomarkers in health and asthma
Wilkinson, M., Maidstone, R., Loudon, A., Blaikley, J., White, I. R., Singh, D., . . . Durrington, H. J. (2019). Circadian rhythm of exhaled biomarkers in health and asthma. EUROPEAN RESPIRATORY JOURNAL, 54(4). doi:10.1183/13993003.01068-2019
<i>The blind men and the elephant</i>: challenges in the analysis of complex natural mixtures
Goodacre, R. (2019). <i>The blind men and the elephant</i>: challenges in the analysis of complex natural mixtures. FARADAY DISCUSSIONS, 218, 524-539. doi:10.1039/c9fd00074g
Data mining and visualisation: general discussion
Afonso, C., Barrow, M. P., Davies, A. N., Delsuc, M. -A., Ebbels, T., Fernandez-Lima, F., . . . van der Hooft, J. J. J. (2019). Data mining and visualisation: general discussion. FARADAY DISCUSSIONS, 218, 354-371. doi:10.1039/C9FD90044F
Dealing with complexity: general discussion
Afonso, C., Barrow, M. P., Bell, N. G. A., Davies, A. N., Duca, D., Focsa, C., . . . van Zelst, F. H. M. (2019). Dealing with complexity: general discussion. FARADAY DISCUSSIONS, 218, 138-156. doi:10.1039/C9FD90055A
Future challenges and new approaches: general discussion
Afonso, C., Chaux, C., Davies, A. N., Delsuc, M. -A., Lima, F. F., Gauchotte-Lindsay, C., . . . van der Hooft, J. J. J. (2019). Future challenges and new approaches: general discussion. FARADAY DISCUSSIONS, 218, 505-523. doi:10.1039/c9fd90046b
High resolution techniques: general discussion
Adair, E., Afonso, C., Bell, N. G. A., Davies, A. N., Delsuc, M. -A., Godfrey, R., . . . Zherebker, A. (2019). High resolution techniques: general discussion. FARADAY DISCUSSIONS, 218, 247-267. doi:10.1039/c9fd90045d
Are omics the death of Good Sampling Practice?
Davies, A. N., & Goodacre, R. (2019). Are omics the death of Good Sampling Practice?. Spectroscopy Europe, 31(3), 17-19.
Exhaled breath metabolomics reveals a pathogen-specific response in a rat pneumonia model for two human pathogenic bacteria: a proof-of-concept study.
van Oort, P. M., Brinkman, P., Slingers, G., Koppen, G., Maas, A., Roelofs, J. J., . . . Bos, L. D. (2019). Exhaled breath metabolomics reveals a pathogen-specific response in a rat pneumonia model for two human pathogenic bacteria: a proof-of-concept study.. American journal of physiology. Lung cellular and molecular physiology, 316(5), L751-L756. doi:10.1152/ajplung.00449.2018
Discovery of Volatile Biomarkers of Parkinson's Disease from Sebum
Trivedi, D. K., Sinclair, E., Xu, Y., Sarkar, D., Walton-Doyle, C., Liscio, C., . . . Barran, P. (2019). Discovery of Volatile Biomarkers of Parkinson's Disease from Sebum. ACS CENTRAL SCIENCE, 5(4), 599-606. doi:10.1021/acscentsci.8b00879
NEWS: the 2019 Metabolomics publication awards
Goodacre, R. (2019). NEWS: the 2019 Metabolomics publication awards. METABOLOMICS, 15(5). doi:10.1007/s11306-019-1528-z
Central Metabolism Is Tuned to the Availability of Oxygen in Developing Melon Fruit
Mori, K., Beauvoit, B. P., Biais, B., Chabane, M., Allwood, J. W., Deborde, C., . . . Gibon, Y. (2019). Central Metabolism Is Tuned to the Availability of Oxygen in Developing Melon Fruit. FRONTIERS IN PLANT SCIENCE, 10. doi:10.3389/fpls.2019.00594
Polymer Pen Lithography-Fabricated DNA Arrays for Highly Sensitive and Selective Detection of Unamplified Ganoderma Boninense DNA
Rani, E., Mohshim, S. A., Ahmad, M. Z., Goodacre, R., Ahmad, S. A. A., & Wong, L. S. (2019). Polymer Pen Lithography-Fabricated DNA Arrays for Highly Sensitive and Selective Detection of Unamplified Ganoderma Boninense DNA. POLYMERS, 11(3). doi:10.3390/polym11030561
Enhancing disease diagnosis: Biomedical applications of surface-enhanced raman scattering
Chisanga, M., Muhamadali, H., Ellis, D. I., & Goodacre, R. (2019). Enhancing disease diagnosis: Biomedical applications of surface-enhanced raman scattering. Applied Sciences (Switzerland), 9(6). doi:10.3390/app9061163
Rapid UHPLC-MS metabolite profiling and phenotypic assays reveal genotypic impacts of nitrogen supplementation in oats
Allwood, J. W., Xu, Y., Martinez-Martin, P., Palau, R., Cowan, A., Goodacre, R., . . . Howarth, C. (2019). Rapid UHPLC-MS metabolite profiling and phenotypic assays reveal genotypic impacts of nitrogen supplementation in oats. METABOLOMICS, 15(3). doi:10.1007/s11306-019-1501-x
Ultrasensitive Colorimetric Detection of Murine Norovirus Using NanoZyme Aptasensor
Weerathunge, P., Ramanathan, R., Torok, V. A., Hodgson, K., Xu, Y., Goodacre, R., . . . Bansal, V. (2019). Ultrasensitive Colorimetric Detection of Murine Norovirus Using NanoZyme Aptasensor. ANALYTICAL CHEMISTRY, 91(5), 3270-3276. doi:10.1021/acs.analchem.8b03300
Detection of the adulteration of fresh coconut water via NMR spectroscopy and chemometrics
Richardson, P. I. C., Muhamadali, H., Lei, Y., Golovanov, A. P., Ellis, D. I., & Goodacre, R. (2019). Detection of the adulteration of fresh coconut water via NMR spectroscopy and chemometrics. ANALYST, 144(4), 1401-1408. doi:10.1039/c8an01964a
Rapid quantification of the adulteration of fresh coconut water by dilution and sugars using Raman spectroscopy and chemometrics
Richardson, P. I. C., Muhamadali, H., Ellis, D. I., & Goodacre, R. (2019). Rapid quantification of the adulteration of fresh coconut water by dilution and sugars using Raman spectroscopy and chemometrics. FOOD CHEMISTRY, 272, 157-164. doi:10.1016/j.foodchem.2018.08.038
Application of HPLC-PDA-MS metabolite profiling to investigate the effect of growth temperature and day length on blackcurrant fruit
Allwood, J. W., Woznicki, T. L., Xu, Y., Foito, A., Aaby, K., Sungurtas, J., . . . Sonsteby, A. (2019). Application of HPLC-PDA-MS metabolite profiling to investigate the effect of growth temperature and day length on blackcurrant fruit. METABOLOMICS, 15(1). doi:10.1007/s11306-018-1462-5
A MICROBIOME AND METABOLOMIC SIGNATURE OF PHASES OF CUTANEOUS HEALING IDENTIFIED BY PROFILING SEQUENTIAL ACUTE WOUNDS OF HUMAN SKIN
Ashrafi, M., Xu, Y., Muhamadali, H., White, I., Wilkinson, M., Holloywood, K., . . . Bayat, A. (2019). A MICROBIOME AND METABOLOMIC SIGNATURE OF PHASES OF CUTANEOUS HEALING IDENTIFIED BY PROFILING SEQUENTIAL ACUTE WOUNDS OF HUMAN SKIN. In WOUND REPAIR AND REGENERATION Vol. 27 (pp. A8). Retrieved from https://www.webofscience.com/
Biochemical signatures of acclimation by Chlamydomonas reinhardtii to different ionic stresses
Charles, E. D., Muhamadali, H., Goodacre, R., & Pittman, J. K. (2019). Biochemical signatures of acclimation by <i>Chlamydomonas reinhardtii </i>to different ionic stresses. ALGAL RESEARCH-BIOMASS BIOFUELS AND BIOPRODUCTS, 37, 83-91. doi:10.1016/j.algal.2018.11.006
Methodological considerations for large-scale breath analysis studies: lessons from the U-BIOPRED severe asthma project
Ahmed, W. M., Brinkman, P., Weda, H., Knobel, H. H., Xu, Y., Nijsen, T. M., . . . Grp, U. -B. I. O. P. R. E. D. S. (2019). Methodological considerations for large-scale breath analysis studies: lessons from the U-BIOPRED severe asthma project. JOURNAL OF BREATH RESEARCH, 13(1). doi:10.1088/1752-7163/aae557
Rapid Detection and Quantification of Novel Psychoactive Substances (NPS) Using Raman Spectroscopy and Surface-Enhanced Raman Scattering
Goodacre, R. (n.d.). Rapid Detection and Quantification of Novel Psychoactive Substances (NPS) Using Raman Spectroscopy and Surface-Enhanced Raman Scattering. Frontiers in Chemistry. doi:10.3389/fchem.2019.00412
2018
<i>Metabolomics</i> would like to thank all our referees for their support in 2018
Goodacre, R. (2018). <i>Metabolomics</i> would like to thank all our referees for their support in 2018. METABOLOMICS, 14(12). doi:10.1007/s11306-018-1455-4
An automated Design-Build-Test-Learn pipeline for enhanced microbial production of fine chemicals
Carbonell, P., Jervis, A. J., Robinson, C. J., Yan, C., Dunstan, M., Swainston, N., . . . Scrutton, N. S. (2018). An automated Design-Build-Test-Learn pipeline for enhanced microbial production of fine chemicals. COMMUNICATIONS BIOLOGY, 1. doi:10.1038/s42003-018-0076-9
Rapid through-container detection of fake spirits and methanol quantification with handheld Raman spectroscopy
Ellis, D. I., Muhamadali, H., Xu, Y., Eccles, R., Goodall, I., & Goodacre, R. (2018). Rapid through-container detection of fake spirits and methanol quantification with handheld Raman spectroscopy. ANALYST, 144(1), 324-330. doi:10.1039/c8an01702f
Mitochondrial aconitase is a key regulator of energy production for growth and protein expression in Chinese hamster ovary cells
Dhami, N., Trivedi, D. K., Goodacre, R., Mainwaring, D., & Humphreys, D. P. (2018). Mitochondrial aconitase is a key regulator of energy production for growth and protein expression in Chinese hamster ovary cells. METABOLOMICS, 14(10). doi:10.1007/s11306-018-1430-0
Development of an adaptable headspace sampling method for metabolic profiling of the fungal volatome
Ahmed, W. M., Geranios, P., White, I. R., Lawal, O., Nijsen, T. M., Bromley, M. J., . . . Fowler, S. J. (2018). Development of an adaptable headspace sampling method for metabolic profiling of the fungal volatome. ANALYST, 143(17), 4155-4162. doi:10.1039/c8an00841h
Volatile organic compound signature from co-culture of lung epithelial cell line with <i>Pseudomonas aeruginosa</i>
Lawal, O., Knobel, H., Weda, H., Bos, L. D., Nijsen, T. M. E., Goodacre, R., & Fowler, S. J. (2018). Volatile organic compound signature from co-culture of lung epithelial cell line with <i>Pseudomonas aeruginosa</i>. ANALYST, 143(13), 3148-3155. doi:10.1039/c8an00759d
On Splitting Training and Validation Set: A Comparative Study of Cross-Validation, Bootstrap and Systematic Sampling for Estimating the Generalization Performance of Supervised Learning
Xu, Y., & Goodacre, R. (2018). On Splitting Training and Validation Set: A Comparative Study of Cross-Validation, Bootstrap and Systematic Sampling for Estimating the Generalization Performance of Supervised Learning. JOURNAL OF ANALYSIS AND TESTING, 2(3), 249-262. doi:10.1007/s41664-018-0068-2
Surface-Enhanced Raman Scattering (SERS) in Microbiology: Illumination and Enhancement of the Microbial World
Chisanga, M., Muhamadali, H., Ellis, D. I., & Goodacre, R. (2018). Surface-Enhanced Raman Scattering (SERS) in Microbiology: Illumination and Enhancement of the Microbial World. APPLIED SPECTROSCOPY, 72(7), 987-1000. doi:10.1177/0003702818764672
pH plays a role in the mode of action of trimethoprim on <i>Escherichia coli</i>
AlRabiah, H., Allwood, J. W., Correa, E., Xu, Y., & Goodacre, R. (2018). pH plays a role in the mode of action of trimethoprim on <i>Escherichia coli</i>. PLOS ONE, 13(7). doi:10.1371/journal.pone.0200272
A Novel Adaptation Mechanism Underpinning Algal Colonization of a Nuclear Fuel Storage Pond
MeGraw, V. E., Brown, A. R., Boothman, C., Goodacre, R., Morris, K., Sigee, D., . . . Lloyd, J. R. (2018). A Novel Adaptation Mechanism Underpinning Algal Colonization of a Nuclear Fuel Storage Pond. MBIO, 9(3). doi:10.1128/mBio.02395-17
Guidelines and considerations for the use of system suitability and quality control samples in mass spectrometry assays applied in untargeted clinical metabolomic studies
Broadhurst, D., Goodacre, R., Reinke, S. N., Kuligowski, J., Wilson, I. D., Lewis, M. R., & Dunn, W. B. (2018). Guidelines and considerations for the use of system suitability and quality control samples in mass spectrometry assays applied in untargeted clinical metabolomic studies. METABOLOMICS, 14(6). doi:10.1007/s11306-018-1367-3
Recent developments in quantitative SERS: Moving towards absolute quantification
Goodacre, R., Graham, D., & Faulds, K. (2018). Recent developments in quantitative SERS: Moving towards absolute quantification. TRAC-TRENDS IN ANALYTICAL CHEMISTRY, 102, 359-368. doi:10.1016/j.trac.2018.03.005
TD/GC-MS analysis of volatile markers emitted from mono- and co-cultures of <i>Enterobacter cloacae</i> and <i>Pseudomonas aeruginosa</i> in artificial sputum
Lawal, O., Knobel, H., Weda, H., Nijsen, T. M. E., Goodacre, R., & Fowler, S. J. (2018). TD/GC-MS analysis of volatile markers emitted from mono- and co-cultures of <i>Enterobacter cloacae</i> and <i>Pseudomonas aeruginosa</i> in artificial sputum. METABOLOMICS, 14(5). doi:10.1007/s11306-018-1357-5
Clinical applications of infrared and Raman spectroscopy: state of play and future challenges
Baker, M. J., Byrne, H. J., Chalmers, J., Gardner, P., Goodacre, R., Henderson, A., . . . Sule-Suso, J. (2018). Clinical applications of infrared and Raman spectroscopy: state of play and future challenges. ANALYST, 143(8), 1735-1757. doi:10.1039/c7an01871a
Clinical applications of infrared and Raman spectroscopy: state of play and future challenges (vol 143, pg 1934, 2018)
Baker, M. J., Byrne, H. J., Chalmers, J., Gardner, P., Goodacre, R., Henderson, A., . . . Sule-Suso, J. (2018). Clinical applications of infrared and Raman spectroscopy: state of play and future challenges (vol 143, pg 1934, 2018). ANALYST, 143(8), 1934. doi:10.1039/c8an90029a
NEWS: the 2018 <i>Metabolomics</i> publication awards
Goodacre, R. (2018). NEWS: the 2018 <i>Metabolomics</i> publication awards. METABOLOMICS, 14(5). doi:10.1007/s11306-018-1353-9
Elevated luteinizing hormone despite normal testosterone levels in older mennatural history, risk factors and clinical features
Eendebak, R. J. A. H., Ahern, T., Swiecicka, A., Pye, S. R., O'Neill, T. W., Bartfai, G., . . . Wu, F. C. W. (2018). Elevated luteinizing hormone despite normal testosterone levels in older mennatural history, risk factors and clinical features. CLINICAL ENDOCRINOLOGY, 88(3), 479-490. doi:10.1111/cen.13524
Improved Descriptors for the Quantitative Structure-Activity Relationship Modeling of Peptides and Proteins
Barley, M. H., Turner, N. J., & Goodacre, R. (2018). Improved Descriptors for the Quantitative Structure-Activity Relationship Modeling of Peptides and Proteins. JOURNAL OF CHEMICAL INFORMATION AND MODELING, 58(2), 234-243. doi:10.1021/acs.jcim.7b00488
Translation Stress Positively Regulates MscL-Dependent Excretion of Cytoplasmic Proteins
Morra, R., Del Carratore, F., Muhamadali, H., Horga, L. G., Halliwell, S., Goodacre, R., . . . Dixon, N. (2018). Translation Stress Positively Regulates MscL-Dependent Excretion of Cytoplasmic Proteins. MBIO, 9(1). doi:10.1128/mBio.02118-17
Headspace volatile organic compounds from bacteria implicated in ventilator-associated pneumonia analysed by TD-GC/MS
Lawal, O., Muhamadali, H., Ahmed, W. M., White, I. R., Nijsen, T. M. E., Goodacre, R., & Fowler, S. J. (2018). Headspace volatile organic compounds from bacteria implicated in ventilator-associated pneumonia analysed by TD-GC/MS. JOURNAL OF BREATH RESEARCH, 12(2). doi:10.1088/1752-7163/aa8efc
Omics Methods For the Detection of Foodborne Pathogens
Ellis, D. I., Muhamadali, H., Chisanga, M., & Goodacre, R. (2019). Omics Methods For the Detection of Foodborne Pathogens. In Encyclopedia of Food Chemistry (pp. 364-370). Elsevier. doi:10.1016/b978-0-08-100596-5.21793-9
2017
Towards improved quantitative analysis using surface-enhanced Raman scattering incorporating internal isotope labelling
Subaihi, A., Xu, Y., Muhamadali, H., Mutter, S. T., Blanch, E. W., Ellis, D. I., & Goodacre, R. (2017). Towards improved quantitative analysis using surface-enhanced Raman scattering incorporating internal isotope labelling. ANALYTICAL METHODS, 9(47), 6636-6644. doi:10.1039/c7ay02527k
SERS Detection of Multiple Antimicrobial-Resistant Pathogens Using Nanosensors.
Kearns, H., Goodacre, R., Jamieson, L. E., Graham, D., & Faulds, K. (2017). SERS Detection of Multiple Antimicrobial-Resistant Pathogens Using Nanosensors.. Analytical chemistry, 89(23), 12666-12673. doi:10.1021/acs.analchem.7b02653
Analytical SERS: general discussion
Aitchison, H., Aizpurua, J., Arnolds, H., Baumberg, J., Bell, S., Bonifacio, A., . . . Vikesland, P. (2017). Analytical SERS: general discussion. FARADAY DISCUSSIONS, 205, 561-600. doi:10.1039/C7FD90096A
Quantitative detection of isotopically enriched <i>E</i>. <i>coli</i> cells by SERS
Chisanga, M., Muhamadali, H., Kimber, R., & Goodacre, R. (2017). Quantitative detection of isotopically enriched <i>E</i>. <i>coli</i> cells by SERS. FARADAY DISCUSSIONS, 205, 331-343. doi:10.1039/c7fd00150a
SERS in biology/biomedical SERS: general discussion
Baumberg, J., Bell, S., Bonifacio, A., Chikkaraddy, R., Chisanga, M., Corsetti, S., . . . Wuytens, P. (2017). SERS in biology/biomedical SERS: general discussion. FARADAY DISCUSSIONS, 205, 429-456. doi:10.1039/c7fd90089a
Theory of SERS enhancement: general discussion
Graham, D., Goodacre, R., Arnolds, H., Masson, J. -F., Schatz, G., Baumberg, J., . . . Velleman, L. (2017). Theory of SERS enhancement: general discussion. FARADAY DISCUSSIONS, 205, 173-211. doi:10.1039/c7fd90095c
Ultrasensitive and towards single molecule SERS: general discussion
Aizpurua, J., Arnolds, H., Baumberg, J., Bruzas, I., Chikkaraddy, R., Chisanga, M., . . . Willner, M. (2017). Ultrasensitive and towards single molecule SERS: general discussion. FARADAY DISCUSSIONS, 205, 291-330. doi:10.1039/C7FD90088K
From Multistep Enzyme Monitoring to Whole-Cell Biotransformations: Development of Real-Time Ultraviolet Resonance Raman Spectroscopy
Fisk, H., Xu, Y., Westley, C., Turner, N. J., Micklefield, J., & Goodacre, R. (2017). From Multistep Enzyme Monitoring to Whole-Cell Biotransformations: Development of Real-Time Ultraviolet Resonance Raman Spectroscopy. ANALYTICAL CHEMISTRY, 89(22), 12527-12532. doi:10.1021/acs.analchem.7b03742
Exhaled Volatile Organic Compounds of Infection: A Systematic Review
Ahmed, W. M., Lawal, O., Nilsen, T. M., Goodacre, R., & Fowler, S. J. (2017). Exhaled Volatile Organic Compounds of Infection: A Systematic Review. ACS INFECTIOUS DISEASES, 3(10), 695-710. doi:10.1021/acsinfecdis.7b00088
Increased intracellular proteolysis reduces disease severity in an ER stress-associated dwarfism
Mullan, L. A., Mularczyk, E. J., Kung, L. H., Forouhan, M., Wragg, J. M. A., Goodacre, R., . . . Boot-Handford, R. P. (2017). Increased intracellular proteolysis reduces disease severity in an ER stress-associated dwarfism. JOURNAL OF CLINICAL INVESTIGATION, 127(10), 3861-3865. doi:10.1172/JCI93094
Exhaled breath analysis: a review of 'breath-taking' methods for off-line analysis
Lawal, O., Ahmed, W. M., Nijsen, T. M. E., Goodacre, R., & Fowler, S. J. (2017). Exhaled breath analysis: a review of 'breath-taking' methods for off-line analysis. METABOLOMICS, 13(10). doi:10.1007/s11306-017-1241-8
Through-container, extremely low concentration detection of multiple chemical markers of counterfeit alcohol using a handheld SORS device
Ellis, D. I., Eccles, R., Xu, Y., Griffen, J., Muhamadali, H., Matousek, P., . . . Goodacre, R. (2017). Through-container, extremely low concentration detection of multiple chemical markers of counterfeit alcohol using a handheld SORS device. SCIENTIFIC REPORTS, 7. doi:10.1038/s41598-017-12263-0
Objective assessment of SERS thin films: comparison of silver on copper via galvanic displacement with commercially available fabricated substrates
Mabbott, S., Xu, Y., & Goodacre, R. (2017). Objective assessment of SERS thin films: comparison of silver on copper via galvanic displacement with commercially available fabricated substrates. ANALYTICAL METHODS, 9(33), 4783-4789. doi:10.1039/c7ay01584d
Two Glycerol-3-Phosphate Dehydrogenases from <i>Chlamydomonas</i> Have Distinct Roles in Lipid Metabolism
Driver, T., Trivedi, D. K., McIntosh, O. A., Dean, A. P., Goodacre, R., & Pittman, J. K. (2017). Two Glycerol-3-Phosphate Dehydrogenases from <i>Chlamydomonas</i> Have Distinct Roles in Lipid Metabolism. PLANT PHYSIOLOGY, 174(4), 2083-2097. doi:10.1104/pp.17.00491
Quantitative Online Liquid Chromatography Surface-Enhanced Raman Scattering (LC-SERS) of Methotrexate and its Major Metabolites
Subaihi, A., Trivedi, D. K., Hollywood, K. A., Bluett, J., Xu, Y., Muhamadali, H., . . . Goodacre, R. (2017). Quantitative Online Liquid Chromatography Surface-Enhanced Raman Scattering (LC-SERS) of Methotrexate and its Major Metabolites. ANALYTICAL CHEMISTRY, 89(12), 6702-6709. doi:10.1021/acs.analchem.7b00916
Recommendations on the Implementation of Genetic Algorithms for the Directed Evolution of Enzymes for Industrial Purposes
Barley, M. H., Turner, N. J., & Goodacre, R. (2017). Recommendations on the Implementation of Genetic Algorithms for the Directed Evolution of Enzymes for Industrial Purposes. CHEMBIOCHEM, 18(12), 1087-1097. doi:10.1002/cbic.201700013
Probing the action of a novel anti-leukaemic drug therapy at the single cell level using modern vibrational spectroscopy techniques
Denbigh, J. L., Perez-Guaita, D., Vernooij, R. R., Tobin, M. J., Bambery, K. R., Xu, Y., . . . Wood, B. R. (2017). Probing the action of a novel anti-leukaemic drug therapy at the single cell level using modern vibrational spectroscopy techniques. SCIENTIFIC REPORTS, 7. doi:10.1038/s41598-017-02069-5
Real‐Time Monitoring of Enzyme‐Catalysed Reactions using Deep UV Resonance Raman Spectroscopy
Westley, C., Fisk, H., Xu, Y., Hollywood, K. A., Carnell, A. J., Micklefield, J., . . . Goodacre, R. (2017). Real‐Time Monitoring of Enzyme‐Catalysed Reactions using Deep UV Resonance Raman Spectroscopy. Chemistry: A European Journal, 23(29), 6983-6987. doi:10.1002/chem.201701388
Commentary on "Rapid identification of Streptococcus and Enterococcus species using diffuse reflectance-absorbance Fourier transform infrared spectroscopy and artificial neural networks"
Goodacre, R., & Kell, D. B. (2017). Commentary on "Rapid identification of Streptococcus and Enterococcus species using diffuse reflectance-absorbance Fourier transform infrared spectroscopy and artificial neural networks". FEMS MICROBIOLOGY LETTERS, 364(10). doi:10.1093/femsle/fnx018
Ethnic differences in male reproductive hormones and relationships with adiposity and insulin resistance in older men
Eendebak, R. J. A. H., Swiecicka, A., Gromski, P. S., Pye, S. R., O'Neill, T. W., Marshall, A., . . . Rutter, M. K. (2017). Ethnic differences in male reproductive hormones and relationships with adiposity and insulin resistance in older men. CLINICAL ENDOCRINOLOGY, 86(5), 660-668. doi:10.1111/cen.13305
NEWS: The 2017 Metabolomics publication awards
Royston, G. (2017). NEWS: The 2017 Metabolomics publication awards. Metabolomics, 13(5). doi:10.1007/s11306-017-1198-7
Systems biology guided by XCMS Online metabolomics
Huan, T., Forsberg, E. M., Rinehart, D., Johnson, C. H., Ivanisevic, J., Benton, H. P., . . . Siuzdak, G. (2017). Systems biology guided by XCMS Online metabolomics. NATURE METHODS, 14(5), 461-462. doi:10.1038/nmeth.4260
Quantitative detection of codeine in human plasma using surface-enhanced Raman scattering <i>via</i> adaptation of the isotopic labelling principle
Subaihi, A., Muhamadali, H., Mutter, S. T., Blanch, E., Ellis, D. I., & Goodacre, R. (2017). Quantitative detection of codeine in human plasma using surface-enhanced Raman scattering <i>via</i> adaptation of the isotopic labelling principle. ANALYST, 142(7), 1099-1105. doi:10.1039/c7an00193b
Metabolomics for the masses: The future of metabolomics in a personalized world
Trivedi, D. K., Hollywood, K. A., & Goodacre, R. (2017). Metabolomics for the masses: The future of metabolomics in a personalized world. NEW HORIZONS IN TRANSLATIONAL MEDICINE, 3(6), 294-305. doi:10.1016/j.nhtm.2017.06.001
Detection of glycosylation and iron-binding protein modifications using Raman spectroscopy
Ashton, L., Brewster, V. L., Correa, E., & Goodacre, R. (2017). Detection of glycosylation and iron-binding protein modifications using Raman spectroscopy. ANALYST, 142(5), 808-814. doi:10.1039/c6an02516a
Absolute Quantification of Uric Acid in Human Urine Using Surface Enhanced Raman Scattering with the Standard Addition Method
Westley, C., Xu, Y., Thilaganathan, B., Carnell, A. J., Turner, N. J., & Goodacre, R. (2017). Absolute Quantification of Uric Acid in Human Urine Using Surface Enhanced Raman Scattering with the Standard Addition Method. Analytical Chemistry, 89(4), 2472-2477. doi:10.1021/acs.analchem.6b04588
Computational tools and workflows in metabolomics: An international survey highlights the opportunity for harmonisation through Galaxy
Weber, R. J. M., Lawson, T. N., Salek, R. M., Ebbels, T. M. D., Glen, R. C., Goodacre, R., . . . Viant, M. R. (2017). Computational tools and workflows in metabolomics: An international survey highlights the opportunity for harmonisation through Galaxy. METABOLOMICS, 13(2). doi:10.1007/s11306-016-1147-x
SERS Detection of Multiple Antimicrobial-Resistant Pathogens Using Nanosensors
Kearns, H., Goodacre, R., Jamieson, L. E., Graham, D., & Faulds, K. (2017). SERS Detection of Multiple Antimicrobial-Resistant Pathogens Using Nanosensors. ANALYTICAL CHEMISTRY, 89(23), 12666-12673. doi:10.1021/acs.analchem.7b02653
2016
SYNBIOCHEM Synthetic Biology Research Centre, Manchester - A UK foundry for fine and speciality chemicals production
Le Feuvre, R. A., Carbonell, P., Currin, A., Dunstan, M., Fellows, D., Jervis, A. J., . . . Turner, N. J. (2016). SYNBIOCHEM Synthetic Biology Research Centre, Manchester - A UK foundry for fine and speciality chemicals production. SYNTHETIC AND SYSTEMS BIOTECHNOLOGY, 1(4), 271-275. doi:10.1016/j.synbio.2016.07.001
The androgen receptor gene CAG repeat in relation to 4-year changes in androgen-sensitive endpoints in community-dwelling older European men
Eendebak, R. J. A. H., Huhtaniemi, I. T., Pye, S. R., Ahern, T., O'Neill, T. W., Bartfai, G., . . . Wu, F. C. W. (2016). The androgen receptor gene CAG repeat in relation to 4-year changes in androgen-sensitive endpoints in community-dwelling older European men. EUROPEAN JOURNAL OF ENDOCRINOLOGY, 175(6), 583-593. doi:10.1530/EJE-16-0447
Rapid, Accurate, and Quantitative Detection of Propranolol in Multiple Human Biofluids via Surface-Enhanced Raman Scattering
Subaihi, A., Almanqur, L., Muhamadali, H., AlMasoud, N., Ellis, D. I., Trivedi, D. K., . . . Goodacre, R. (2016). Rapid, Accurate, and Quantitative Detection of Propranolol in Multiple Human Biofluids via Surface-Enhanced Raman Scattering. ANALYTICAL CHEMISTRY, 88(22), 10884-10892. doi:10.1021/acs.analchem.6b02041
Rapid discrimination of <i>Enterococcus faecium</i> strains using phenotypic analytical techniques
AlMasoud, N., Xu, Y., Ellis, D. I., Rooney, P., Turton, J. F., & Goodacre, R. (2016). Rapid discrimination of <i>Enterococcus faecium</i> strains using phenotypic analytical techniques. ANALYTICAL METHODS, 8(42), 7603-7613. doi:10.1039/c6ay02326f
Classification of <i>Bacillus</i> and <i>Brevibacillus</i> species using rapid analysis of lipids by mass spectrometry
AlMasoud, N., Xu, Y., Trivedi, D. K., Salivo, S., Abban, T., Rattray, N. J. W., . . . Goodacre, R. (2016). Classification of <i>Bacillus</i> and <i>Brevibacillus</i> species using rapid analysis of lipids by mass spectrometry. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 408(27), 7865-7878. doi:10.1007/s00216-016-9890-4
Partial Least Squares with Structured Output for Modelling the Metabolomics Data Obtained from Complex Experimental Designs: A Study into the Y-Block Coding
Xu, Y., Muhamadali, H., Sayqal, A., Dixon, N., & Goodacre, R. (2016). Partial Least Squares with Structured Output for Modelling the Metabolomics Data Obtained from Complex Experimental Designs: A Study into the Y-Block Coding. METABOLITES, 6(4). doi:10.3390/metabo6040038
Reverse and Multiple Stable Isotope Probing to Study Bacterial Metabolism and Interactions at the Single Cell Level
Wang, Y., Song, Y., Tao, Y., Muhamadali, H., Goodacre, R., Zhou, N. -Y., . . . Huang, W. E. (2016). Reverse and Multiple Stable Isotope Probing to Study Bacterial Metabolism and Interactions at the Single Cell Level. ANALYTICAL CHEMISTRY, 88(19), 9443-9450. doi:10.1021/acs.analchem.6b01602
039 Systems biology approach to the analysis of pharmacogenomic data in psoriasis
Foulkes, A. C., Watson, D. S., Rattray, N. J., Donaldson, M., Goodacre, R., Reynolds, N., . . . Barnes, M. R. (2016). 039 Systems biology approach to the analysis of pharmacogenomic data in psoriasis. Journal of Investigative Dermatology, 136(9), S167. doi:10.1016/j.jid.2016.06.056
FUM2, a Cytosolic Fumarase, Is Essential for Acclimation to Low Temperature in <i>Arabidopsis thaliana</i><SUP>1[OPEN]</SUP>
Dyson, B. C., Miller, M. A. E., Feil, R., Rattray, N., Bowsher, C. G., Goodacre, R., . . . Johnson, G. N. (2016). FUM2, a Cytosolic Fumarase, Is Essential for Acclimation to Low Temperature in <i>Arabidopsis thaliana</i><SUP>1[OPEN]</SUP>. PLANT PHYSIOLOGY, 172(1), 118-127. doi:10.1104/pp.16.00852
Rapid, accurate, and comparative differentiation of clinically and industrially relevant microorganisms <i>via</i> multiple vibrational spectroscopic fingerprinting
Muhamadali, H., Subaihi, A., Mohammadtaheri, M., Xu, Y., Ellis, D. I., Ramanathan, R., . . . Goodacre, R. (2016). Rapid, accurate, and comparative differentiation of clinically and industrially relevant microorganisms <i>via</i> multiple vibrational spectroscopic fingerprinting. ANALYST, 141(17), 5127-5136. doi:10.1039/c6an00883f
SERS of meso-droplets supported on superhydrophobic wires allows exquisitely sensitive detection of dipicolinic acid, an anthrax biomarker, considerably below the infective close
Cheung, M., Lee, W. W. Y., Cowcher, D. P., Goodacre, R., & Bell, S. E. J. (2016). SERS of meso-droplets supported on superhydrophobic wires allows exquisitely sensitive detection of dipicolinic acid, an anthrax biomarker, considerably below the infective close. CHEMICAL COMMUNICATIONS, 52(64), 9925-9928. doi:10.1039/c6cc03521c
A flavour of omics approaches for the detection of food fraud
Ellis, D. I., Muhamadali, H., Allen, D. P., Elliott, C. T., & Goodacre, R. (2016). A flavour of omics approaches for the detection of food fraud. CURRENT OPINION IN FOOD SCIENCE, 10, 7-15. doi:10.1016/j.cofs.2016.07.002
Rapid, high-throughput, and quantitative determination of orange juice adulteration by Fourier-transform infrared spectroscopy
Ellis, D. I., Ellis, J., Muhamadali, H., Xu, Y., Horn, A. B., & Goodacre, R. (2016). Rapid, high-throughput, and quantitative determination of orange juice adulteration by Fourier-transform infrared spectroscopy. ANALYTICAL METHODS, 8(28), 5581-5586. doi:10.1039/c6ay01480a
Metabolic analysis of the response of <i>Pseudomonas putida</i> DOT-T1E strains to toluene using Fourier transform infrared spectroscopy and gas chromatography mass spectrometry
Sayqal, A., Xu, Y., Trivedi, D. K., AlMasoud, N., Ellis, D. I., Muhamadali, H., . . . Goodacre, R. (2016). Metabolic analysis of the response of <i>Pseudomonas putida</i> DOT-T1E strains to toluene using Fourier transform infrared spectroscopy and gas chromatography mass spectrometry. METABOLOMICS, 12(7). doi:10.1007/s11306-016-1054-1
NEWS: the 2016 Metabolomics publication awards
Goodacre, R. (2016). NEWS: the 2016 Metabolomics publication awards. Metabolomics, 12(7). doi:10.1007/s11306-016-1060-3
Biofluids and other techniques: general discussion
Goodacre, R., Baker, M. J., Graham, D., Schultz, Z. D., Diem, M., Marques, M. P., . . . Campbell, C. J. (2016). Biofluids and other techniques: general discussion. FARADAY DISCUSSIONS, 187, 575-601. doi:10.1039/C6FD90014C
Clinical Spectroscopy: general discussion
Goodacre, R., Sergo, V., Barr, H., Sammon, C., Schultz, Z. D., Baker, M. J., . . . Paterson, C. (2016). Clinical Spectroscopy: general discussion. FARADAY DISCUSSIONS, 187, 429-460. doi:10.1039/C6FD90013E
Single cell analysis/data handling: general discussion
Baker, M. J., Goodacre, R., Sammon, C., Marques, M. P., Gardner, P., Tipping, W., . . . Lyng, F. (2016). Single cell analysis/data handling: general discussion. FARADAY DISCUSSIONS, 187, 299-327. doi:10.1039/C6FD90012G
Spectral Pathology: general discussion
Sammon, C., Schultz, Z. D., Kazarian, S., Barr, H., Goodacre, R., Graham, D., . . . Pilling, M. (2016). Spectral Pathology: general discussion. FARADAY DISCUSSIONS, 187, 155-186. doi:10.1039/C6FD90011A
Fractional Factorial Design of MALDI-TOF-MS Sample Preparations for the Optimized Detection of Phospholipids and Acylglycerols
AlMasoud, N., Correa, E., Trivedi, D. K., & Goodacre, R. (2016). Fractional Factorial Design of MALDI-TOF-MS Sample Preparations for the Optimized Detection of Phospholipids and Acylglycerols. ANALYTICAL CHEMISTRY, 88(12), 6301-6308. doi:10.1021/acs.analchem.6b00512
SYNBIOCHEM - a SynBio foundry for the biosynthesis and sustainable production of fine and speciality chemicals
Carbonell, P., Currin, A., Dunstan, M., Fellows, D., Jervis, A., Rattray, N. J. W., . . . Turner, N. J. (2016). SYNBIOCHEM - a SynBio foundry for the biosynthesis and sustainable production of fine and speciality chemicals. BIOCHEMICAL SOCIETY TRANSACTIONS, 44, 675-677. doi:10.1042/BST20160009
Label-Free Surface Enhanced Raman Scattering Approach for High-Throughput Screening of Biocatalysts
Westley, C., Xu, Y., Carnell, A. J., Turner, N. J., & Goodacre, R. (2016). Label-Free Surface Enhanced Raman Scattering Approach for High-Throughput Screening of Biocatalysts. Analytical Chemistry, 88(11), 5898-5903. doi:10.1021/acs.analchem.6b00813
Metabolomics Analysis Reveals the Participation of Efflux Pumps and Ornithine in the Response of <i>Pseudomonas putida</i> DOT-T1E Cells to Challenge with Propranolol
Sayqal, A., Xu, Y., Trivedi, D. K., AlMasoud, N., Ellis, D. I., Rattray, N. J. W., & Goodacre, R. (2016). Metabolomics Analysis Reveals the Participation of Efflux Pumps and Ornithine in the Response of <i>Pseudomonas putida</i> DOT-T1E Cells to Challenge with Propranolol. PLOS ONE, 11(6). doi:10.1371/journal.pone.0156509
Intermittent energy restriction induces changes in breast gene expression and systemic metabolism
Harvie, M. N., Sims, A. H., Pegington, M., Spence, K., Mitchell, A., Vaughan, A. A., . . . Howell, A. (2016). Intermittent energy restriction induces changes in breast gene expression and systemic metabolism. BREAST CANCER RESEARCH, 18. doi:10.1186/s13058-016-0714-4
Electronic cigarette exposure triggers neutrophil inflammatory responses
Higham, A., Rattray, N. J. W., Dewhurst, J. A., Trivedi, D. K., Fowler, S. J., Goodacre, R., & Singh, D. (2016). Electronic cigarette exposure triggers neutrophil inflammatory responses. RESPIRATORY RESEARCH, 17. doi:10.1186/s12931-016-0368-x
Biochemical Analyses of Sorghum Varieties Reveal Differential Responses to Drought
Ogbaga, C. C., Stepien, P., Dyson, B. C., Rattray, N. J. W., Ellis, D. I., Goodacre, R., & Johnson, G. N. (2016). Biochemical Analyses of Sorghum Varieties Reveal Differential Responses to Drought. PLOS ONE, 11(5). doi:10.1371/journal.pone.0154423
Evaluation of metabolomics profiles of grain from maize hybrids derived from near-isogenic GM positive and negative segregant inbreds demonstrates that observed differences cannot be attributed unequivocally to the GM trait
Harrigan, G. G., Venkatesh, T. V., Leibman, M., Blankenship, J., Perez, T., Halls, S., . . . Goodacre, R. (2016). Evaluation of metabolomics profiles of grain from maize hybrids derived from near-isogenic GM positive and negative segregant inbreds demonstrates that observed differences cannot be attributed unequivocally to the GM trait. METABOLOMICS, 12(5). doi:10.1007/s11306-016-1017-6
Detecting food authenticity and integrity
Ellis, D. I., & Goodacre, R. (2016). Detecting food authenticity and integrity. ANALYTICAL METHODS, 8(16), 3281-3283. doi:10.1039/c6ay90015a
Metabolic Fingerprinting of <i>Pseudomonas putida</i> DOT-T1E Strains: Understanding the Influence of Divalent Cations in Adaptation Mechanisms Following Exposure to Toluene
Sayqal, A., Xu, Y., Trivedi, D. K., AlMasoud, N., Ellis, D. I., & Goodacre, R. (2016). Metabolic Fingerprinting of <i>Pseudomonas putida</i> DOT-T1E Strains: Understanding the Influence of Divalent Cations in Adaptation Mechanisms Following Exposure to Toluene. METABOLITES, 6(2). doi:10.3390/metabo6020014
Meat, the metabolites: an integrated metabolite profiling and lipidomics approach for the detection of the adulteration of beef with pork
Trivedi, D. K., Hollywood, K. A., Rattray, N. J. W., Ward, H., Trivedi, D. K., Greenwood, J., . . . Goodacre, R. (2016). Meat, the metabolites: an integrated metabolite profiling and lipidomics approach for the detection of the adulteration of beef with pork. ANALYST, 141(7), 2155-2164. doi:10.1039/c6an00108d
Towards Improving Point-of-Care Diagnosis of Non-malaria Febrile Illness: A Metabolomics Approach
Decuypere, S., Maltha, J., Deborggraeve, S., Rattray, N. J. W., Issa, G., Berenger, K., . . . Carapetis, J. R. (2016). Towards Improving Point-of-Care Diagnosis of Non-malaria Febrile Illness: A Metabolomics Approach. PLOS NEGLECTED TROPICAL DISEASES, 10(3). doi:10.1371/journal.pntd.0004480
Say hello to Dr Warwick Dunn! Metabolomics' new Reviews Editor
Goodacre, R. (2016). Say hello to Dr Warwick Dunn! Metabolomics' new Reviews Editor. METABOLOMICS, 12(3). doi:10.1007/s11306-016-0978-9
Detection of Protein Glycosylation Using Tip-Enhanced Raman Scattering
Cowcher, D. P., Deckert-Gaudig, T., Brewster, V. L., Ashton, L., Deckert, V., & Goodacre, R. (2016). Detection of Protein Glycosylation Using Tip-Enhanced Raman Scattering. ANALYTICAL CHEMISTRY, 88(4), 2105-2112. doi:10.1021/acs.analchem.5b03535
Continued growth, continual progress, and continuous publications
Goodacre, R. (2016). Continued growth, continual progress, and continuous publications. METABOLOMICS, 12(1). doi:10.1007/s11306-015-0911-7
Chicken, beams, and <i>Campylobacter</i>: rapid differentiation of foodborne bacteria via vibrational spectroscopy and MALDI-mass spectrometry
Muhamadali, H., Weaver, D., Subaihi, A., AlMasoud, N., Trivedi, D. K., Ellis, D. I., . . . Goodacre, R. (2016). Chicken, beams, and <i>Campylobacter</i>: rapid differentiation of foodborne bacteria via vibrational spectroscopy and MALDI-mass spectrometry. ANALYST, 141(1), 111-122. doi:10.1039/c5an01945a
Achieving optimal SERS through enhanced experimental design
Fisk, H., Westley, C., Turner, N. J., & Goodacre, R. (2016). Achieving optimal SERS through enhanced experimental design. JOURNAL OF RAMAN SPECTROSCOPY, 47(1), 59-66. doi:10.1002/jrs.4855
Data standards can boost metabolomics research, and if there is a will, there is a way
Rocca-Serra, P., Salek, R. M., Arita, M., Correa, E., Dayalan, S., Gonzalez-Beltran, A., . . . Neumann, S. (2016). Data standards can boost metabolomics research, and if there is a will, there is a way. METABOLOMICS, 12(1). doi:10.1007/s11306-015-0879-3
High-throughput metabolic screening of microalgae genetic variation in response to nutrient limitation
Bajhaiya, A. K., Dean, A. P., Driver, T., Trivedi, D. K., Rattray, N. J. W., Allwood, J. W., . . . Pittman, J. K. (2016). High-throughput metabolic screening of microalgae genetic variation in response to nutrient limitation. METABOLOMICS, 12(1). doi:10.1007/s11306-015-0878-4
Metabolomic analysis of riboswitch containing <i>E-coli</i> recombinant expression system
Muhamadali, H., Xu, Y., Morra, R., Trivedi, D. K., Rattray, N. J. W., Dixon, N., & Goodacre, R. (2016). Metabolomic analysis of riboswitch containing <i>E-coli</i> recombinant expression system. MOLECULAR BIOSYSTEMS, 12(2), 350-361. doi:10.1039/c5mb00624d
Metabolomics reveals the physiological response of <i>Pseudomonas</i> <i>putida</i> KT2440 (UWC1) after pharmaceutical exposure
Currie, F., Broadhurst, D. I., Dunn, W. B., Sellick, C. A., & Goodacre, R. (2016). Metabolomics reveals the physiological response of <i>Pseudomonas</i> <i>putida</i> KT2440 (UWC1) after pharmaceutical exposure. MOLECULAR BIOSYSTEMS, 12(4), 1367-1377. doi:10.1039/c5mb00889a
2015
COordination of Standards in MetabOlomicS (COSMOS): facilitating integrated metabolomics data access
Salek, R. M., Neumann, S., Schober, D., Hummel, J., Billiau, K., Kopka, J., . . . Steinbeck, C. (2015). COordination of Standards in MetabOlomicS (COSMOS): facilitating integrated metabolomics data access. METABOLOMICS, 11(6), 1587-1597. doi:10.1007/s11306-015-0810-y
Coordination of Standards in MetabOlomicS (COSMOS): facilitating integrated metabolomics data access (vol 11, pg 1587, 2015)
Salek, R. M., Neumann, S., Schober, D., Hummel, J., Billiau, K., Kopka, J., . . . Steinbeck, C. (2015). Coordination of Standards in MetabOlomicS (COSMOS): facilitating integrated metabolomics data access (vol 11, pg 1587, 2015). METABOLOMICS, 11(6), 1598-1599. doi:10.1007/s11306-015-0822-7
Point-and-shoot: rapid quantitative detection methods for on-site food fraud analysis - moving out of the laboratory and into the food supply chain
Ellis, D. I., Muhamadali, H., Haughey, S. A., Elliott, C. T., & Goodacre, R. (2015). Point-and-shoot: rapid quantitative detection methods for on-site food fraud analysis - moving out of the laboratory and into the food supply chain. ANALYTICAL METHODS, 7(22), 9401-9414. doi:10.1039/c5ay02048d
Aseptic Raman spectroscopy can detect changes associated with the culture of human dental pulp stromal cells in osteoinductive culture
Mitchell, A., Ashton, L., Yang, X. B., Goodacre, R., Tomlinson, M. J., Smith, A., & Kirkham, J. (2015). Aseptic Raman spectroscopy can detect changes associated with the culture of human dental pulp stromal cells in osteoinductive culture. ANALYST, 140(21), 7347-7354. doi:10.1039/c5an01595b
A systematic analysis of TCA <i>Escherichia coli</i> mutants reveals suitable genetic backgrounds for enhanced hydrogen and ethanol production using glycerol as main carbon source
Valle, A., Cabrera, G., Muhamadali, H., Trivedi, D. K., Ratray, N. J. W., Goodacre, R., . . . Bolivar, J. (2015). A systematic analysis of TCA <i>Escherichia coli</i> mutants reveals suitable genetic backgrounds for enhanced hydrogen and ethanol production using glycerol as main carbon source. BIOTECHNOLOGY JOURNAL, 10(11), 1750-1761. doi:10.1002/biot.201500005
Detection of early stage changes associated with adipogenesis using Raman spectroscopy under aseptic conditions
Mitchell, A., Ashton, L., Yang, X. B., Goodacre, R., Smith, A., & Kirkham, J. (2015). Detection of early stage changes associated with adipogenesis using Raman spectroscopy under aseptic conditions. CYTOMETRY PART A, 87A(11), 1012-1019. doi:10.1002/cyto.a.22777
Simultaneous multiplexed quantification of caffeine and its major metabolites theobromine and paraxanthine using surface-enhanced Raman scattering
Alharbi, O., Xu, Y., & Goodacre, R. (2015). Simultaneous multiplexed quantification of caffeine and its major metabolites theobromine and paraxanthine using surface-enhanced Raman scattering. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 407(27), 8253-8261. doi:10.1007/s00216-015-9004-8
THE FRAILL PROJECT - INVESTIGATING AGING AND FRAILTY IN LATER LIFE USING UNTARGETED SERUM METABOLOMICS
Rattray, N. J., Mekli, K., Pendleton, N., Tampubolon, G., Vanhoutte, B., Nazroo, J., & Goodacre, R. (2015). THE FRAILL PROJECT - INVESTIGATING AGING AND FRAILTY IN LATER LIFE USING UNTARGETED SERUM METABOLOMICS. In GERONTOLOGIST Vol. 55 (pp. 369). Retrieved from https://www.webofscience.com/
Metabolic profiling reveals potential metabolic markers associated with Hypoxia Inducible Factor-mediated signalling in hypoxic cancer cells
Armitage, E. G., Kotze, H. L., Allwood, J. W., Dunn, W. B., Goodacre, R., & Williams, K. J. (2015). Metabolic profiling reveals potential metabolic markers associated with Hypoxia Inducible Factor-mediated signalling in hypoxic cancer cells. SCIENTIFIC REPORTS, 5. doi:10.1038/srep15649
Metabolomics investigation of recombinant mTNFα production in <i>Streptomyces lividans</i>
Muhamadali, H., Xu, Y., Ellis, D. I., Trivedi, D. K., Rattray, N. J. W., Bernaerts, K., & Goodacre, R. (2015). Metabolomics investigation of recombinant mTNFα production in <i>Streptomyces lividans</i>. MICROBIAL CELL FACTORIES, 14. doi:10.1186/s12934-015-0350-1
Metabolomics society 2015 <i>Metabolomics</i> publication awards
Goodacre, R. (2015). Metabolomics society 2015 <i>Metabolomics</i> publication awards. METABOLOMICS, 11(5), 1035. doi:10.1007/s11306-015-0845-0
Detection and quantification of the opioid tramadol in urine using surface enhanced Raman scattering
Alharbi, O., Xu, Y., & Goodacre, R. (2015). Detection and quantification of the opioid tramadol in urine using surface enhanced Raman scattering. ANALYST, 140(17), 5965-5970. doi:10.1039/c5an01177a
Metabolic responses of eukaryotic microalgae to environmental stress limit the ability of FT-IR spectroscopy for species identification
Driver, T., Bajhaiya, A. K., Allwood, J. W., Goodacre, R., Pittman, J. K., & Dean, A. P. (2015). Metabolic responses of eukaryotic microalgae to environmental stress limit the ability of FT-IR spectroscopy for species identification. ALGAL RESEARCH-BIOMASS BIOFUELS AND BIOPRODUCTS, 11, 148-155. doi:10.1016/j.algal.2015.06.009
Metabolite profiling of CHO cells: Molecular reflections of bioprocessing effectiveness
Sellick, C. A., Croxford, A. S., Maqsood, A. R., Stephens, G. M., Westerhoff, H. V., Goodacre, R., & Dickson, A. J. (2015). Metabolite profiling of CHO cells: Molecular reflections of bioprocessing effectiveness. BIOTECHNOLOGY JOURNAL, 10(9), 1434-1445. doi:10.1002/biot.201400664
Functional Exchangeability of Oxidase and Dehydrogenase Reactions in the Biosynthesis of Hydroxyphenylglycine, a Nonribosomal Peptide Building Block
Diez, V., Loznik, M., Taylor, S., Winn, M., Rattray, N. J. W., Podmore, H., . . . Takano, E. (2015). Functional Exchangeability of Oxidase and Dehydrogenase Reactions in the Biosynthesis of Hydroxyphenylglycine, a Nonribosomal Peptide Building Block. ACS SYNTHETIC BIOLOGY, 4(7), 796-807. doi:10.1021/sb500368w
Application of surface enhanced Raman scattering to the solution based detection of a popular legal high, 5,6-methylenedioxy-2-aminoindane (MDAI)
Mabbott, S., Alharbi, O., Groves, K., & Goodacre, R. (2015). Application of surface enhanced Raman scattering to the solution based detection of a popular legal high, 5,6-methylenedioxy-2-aminoindane (MDAI). ANALYST, 140(13), 4399-4406. doi:10.1039/c5an00591d
Acclimation of metabolism to light in <i>Arabidopsis thaliana</i>: the glucose 6-phosphate/phosphate translocator GPT2 directs metabolic acclimation
Dyson, B. C., Allwood, J. W., Feil, R., Xu, Y., Miller, M., Bowsher, C. G., . . . Johnson, G. N. (2015). Acclimation of metabolism to light in <i>Arabidopsis thaliana</i>: the glucose 6-phosphate/phosphate translocator GPT2 directs metabolic acclimation. PLANT CELL AND ENVIRONMENT, 38(7), 1404-1417. doi:10.1111/pce.12495
Oxidized phosphatidylcholines suggest oxidative stress in patients with medium-chain acyl-CoA dehydrogenase deficiency
Najdekr, L., Gardlo, A., Madrova, L., Friedecky, D., Janeckova, H., Correa, E. S., . . . Adam, T. (2015). Oxidized phosphatidylcholines suggest oxidative stress in patients with medium-chain acyl-CoA dehydrogenase deficiency. TALANTA, 139, 62-66. doi:10.1016/j.talanta.2015.02.041
New cofactor supports α,β-unsaturated acid decarboxylation via 1,3-dipolar cycloaddition
Payne, K. A. P., White, M. D., Fisher, K., Khara, B., Bailey, S. S., Parker, D., . . . Leys, D. (2015). New cofactor supports α,β-unsaturated acid decarboxylation via 1,3-dipolar cycloaddition. NATURE, 522(7557), 497-501. doi:10.1038/nature14560
UbiX is a flavin prenyltransferase required for bacterial ubiquinone biosynthesis
White, M. D., Payne, K. A. P., Fisher, K., Marshall, S. A., Parker, D., Rattray, N. J. W., . . . Leys, D. (2015). UbiX is a flavin prenyltransferase required for bacterial ubiquinone biosynthesis. NATURE, 522(7557), 502-506. doi:10.1038/nature14559
Phenotypic Characterisation of <i>Shewanella oneidensis</i> MR-1 Exposed to X-Radiation
Brown, A. R., Correa, E., Xu, Y., AlMasoud, N., Pimblott, S. M., Goodacre, R., & Lloyd, J. R. (2015). Phenotypic Characterisation of <i>Shewanella oneidensis</i> MR-1 Exposed to X-Radiation. PLOS ONE, 10(6). doi:10.1371/journal.pone.0131249
A tutorial review: Metabolomics and partial least squares-discriminant analysis - a marriage of convenience or a shotgun wedding
Gromski, P. S., Muhamadali, H., Ellis, D. I., Xu, Y., Correa, E., Turner, M. L., & Goodacre, R. (2015). A tutorial review: Metabolomics and partial least squares-discriminant analysis - a marriage of convenience or a shotgun wedding. ANALYTICA CHIMICA ACTA, 879, 10-23. doi:10.1016/j.aca.2015.02.012
METABOLOMIC PROFILING IN ACUTE PANCREATITIS; IN SEARCH OF NEW BIOMARKERS
Ross, N. P., Correa, E. S., Rattray, N. J., Hildebrand, D. R., Trivedi, D. K., Goodacre, R., & Watson, A. J. (2015). METABOLOMIC PROFILING IN ACUTE PANCREATITIS; IN SEARCH OF NEW BIOMARKERS. In GUT Vol. 64 (pp. A299-A300). doi:10.1136/gutjnl-2015-309861.646
METABOLOMIC PROFILING IN INFLAMMATORY BOWEL DISEASE
Hildebrand, D. R., Trivedi, D., Xu, Y., Rattray, N., Ross, N. P., Correa, E. S., . . . Watson, A. J. (2015). METABOLOMIC PROFILING IN INFLAMMATORY BOWEL DISEASE. In GUT Vol. 64 (pp. A102). doi:10.1136/gutjnl-2015-309861.208
METABOLOMIC PROFILING IN PANCREATIC CANCER; IN SEARCH OF NEW BIOMARKERS
Ross, N. P., Correa, E., Rattray, N., Hildebrand, D., Xu, Y., Trivedi, D., . . . Watson, A. J. M. (2015). METABOLOMIC PROFILING IN PANCREATIC CANCER; IN SEARCH OF NEW BIOMARKERS. In GUT Vol. 64 (pp. A300). doi:10.1136/gutjnl-2015-309861.647
The influence of scaling metabolomics data on model classification accuracy
Gromski, P. S., Xu, Y., Hollywood, K. A., Turner, M. L., & Goodacre, R. (2015). The influence of scaling metabolomics data on model classification accuracy. METABOLOMICS, 11(3), 684-695. doi:10.1007/s11306-014-0738-7
Exploring the mode of action of dithranol therapy for psoriasis: a metabolomic analysis using HaCaT cells
Hollywood, K. A., Winder, C. L., Dunn, W. B., Xu, Y., Broadhurst, D., Griffiths, C. E. M., & Goodacre, R. (2015). Exploring the mode of action of dithranol therapy for psoriasis: a metabolomic analysis using HaCaT cells. MOLECULAR BIOSYSTEMS, 11(8), 2198-2209. doi:10.1039/c4mb00739e
Metabolic Profiling of <i>Geobacter sulfurreducens</i> during Industrial Bioprocess Scale-Up
Muhamadali, H., Xu, Y., Ellis, D. I., Allwood, J. W., Rattray, N. J. W., Correa, E., . . . Goodacre, R. (2015). Metabolic Profiling of <i>Geobacter sulfurreducens</i> during Industrial Bioprocess Scale-Up. APPLIED AND ENVIRONMENTAL MICROBIOLOGY, 81(10), 3288-3298. doi:10.1128/AEM.00294-15
Combining Raman and FT-IR Spectroscopy with Quantitative Isotopic Labeling for Differentiation of E. coli Cells at Community and Single Cell Levels
Muhamadali, H., Chisanga, M., Subaihi, A., & Goodacre, R. (2015). Combining Raman and FT-IR Spectroscopy with Quantitative Isotopic Labeling for Differentiation of E. coli Cells at Community and Single Cell Levels. Analytical Chemistry, 87(8), 4578-4586. doi:10.1021/acs.analchem.5b00892
A workflow for bacterial metabolic fingerprinting and lipid profiling: application to Ciprofloxacin challenged <i>Escherichia coli</i>
Allwood, J. W., AlRabiah, H., Correa, E., Vaughan, A., Xu, Y., Upton, M., & Goodacre, R. (2015). A workflow for bacterial metabolic fingerprinting and lipid profiling: application to Ciprofloxacin challenged <i>Escherichia coli</i>. METABOLOMICS, 11(2), 438-453. doi:10.1007/s11306-014-0674-6
Surveillance for lower airway pathogens in mechanically ventilated patients by metabolomic analysis of exhaled breath: a case-control study
Fowler, S. J., Basanta-Sanchez, M., Xu, Y., Goodacre, R., & Dark, P. M. (2015). Surveillance for lower airway pathogens in mechanically ventilated patients by metabolomic analysis of exhaled breath: a case-control study. THORAX, 70(4), 320-325. doi:10.1136/thoraxjnl-2014-206273
Making colourful sense of Raman images of single cells
Ashton, L., Hollywood, K. A., & Goodacre, R. (2015). Making colourful sense of Raman images of single cells. ANALYST, 140(6), 1852-1858. doi:10.1039/c4an02298j
MUSCLE: automated multi-objective evolutionary optimization of targeted LC-MS/MS analysis
Bradbury, J., Genta-Jouve, G., Allwood, J. W., Dunn, W. B., Goodacre, R., Knowles, J. D., . . . Viant, M. R. (2015). MUSCLE: automated multi-objective evolutionary optimization of targeted LC-MS/MS analysis. BIOINFORMATICS, 31(6), 975-977. doi:10.1093/bioinformatics/btu740
Untargeted Metabolic Profiling Identifies Altered Serum Metabolites of Type 2 Diabetes Mellitus in a Prospective, Nested Case Control Study
Drogan, D., Dunn, W. B., Lin, W., Buijsse, B., Schulze, M. B., Langenberg, C., . . . Boeing, H. (2015). Untargeted Metabolic Profiling Identifies Altered Serum Metabolites of Type 2 Diabetes Mellitus in a Prospective, Nested Case Control Study. CLINICAL CHEMISTRY, 61(3), 487-497. doi:10.1373/clinchem.2014.228965
I spy with my little eye something beginning with aEuro¦ 'H'
Goodacre, R. (2015). I spy with my little eye something beginning with aEuro¦ 'H'. METABOLOMICS, 11(1), 6-8. doi:10.1007/s11306-014-0762-7
Molecular phenotyping of a UK population: defining the human serum metabolome
Dunn, W. B., Lin, W., Broadhurst, D., Begley, P., Brown, M., Zelena, E., . . . Kell, D. B. (2015). Molecular phenotyping of a UK population: defining the human serum metabolome. METABOLOMICS, 11(1), 9-26. doi:10.1007/s11306-014-0707-1
UV resonance Raman spectroscopy: a process analytical tool for host cell DNA and RNA dynamics in mammalian cell lines
Ashton, L., Hogwood, C. E. M., Tait, A. S., Kuligowski, J., Smales, C. M., Bracewell, D. G., . . . Goodacre, R. (2015). UV resonance Raman spectroscopy: a process analytical tool for host cell DNA and RNA dynamics in mammalian cell lines. JOURNAL OF CHEMICAL TECHNOLOGY AND BIOTECHNOLOGY, 90(2), 237-243. doi:10.1002/jctb.4420
A comprehensive omics assessment of etanercept therapy for psoriasis
Foulkes, A., Rattray, N. J. W., Correa, E., Trivedi, D. K., Carr, D. F., Maratou, K., . . . Warren, R. (2015). A comprehensive omics assessment of etanercept therapy for psoriasis. In BRITISH JOURNAL OF DERMATOLOGY Vol. 173 (pp. 12). Retrieved from https://www.webofscience.com/
A comprehensive omics assessment of etanercept therapy for psoriasis
Foulkes, A., Rattray, N., Pirmohamed, M., Goodacre, R., Reynolds, N. J., Donaldson, M. J., . . . Warren, R. (2015). A comprehensive omics assessment of etanercept therapy for psoriasis. In JOURNAL OF INVESTIGATIVE DERMATOLOGY Vol. 135 (pp. S32). Retrieved from https://www.webofscience.com/
Profiling of spatial metabolite distributions in wheat leaves under normal and nitrate limiting conditions
Allwood, J. W., Chandra, S., Xu, Y., Dunn, W. B., Correa, E., Hopkins, L., . . . Bowsher, C. G. (2015). Profiling of spatial metabolite distributions in wheat leaves under normal and nitrate limiting conditions. PHYTOCHEMISTRY, 115, 99-111. doi:10.1016/j.phytochem.2015.01.007
The Effect Of Electronic Cigarette Exposure On Innate Immune Cells
Higham, A. J., Rattray, N., Dewhurst, J. A., Goodacre, R., & Singh, D. (2015). The Effect Of Electronic Cigarette Exposure On Innate Immune Cells. In AMERICAN JOURNAL OF RESPIRATORY AND CRITICAL CARE MEDICINE Vol. 191. Retrieved from https://www.webofscience.com/
2014
THE EFFECT OF ELECTRONIC CIGARETTE EXPOSURE ON INNATE IMMUNE CELLS
Higham, A. J., Rattray, N. J. W., Dewhurst, J. A., & Singh, D. (2014). THE EFFECT OF ELECTRONIC CIGARETTE EXPOSURE ON INNATE IMMUNE CELLS. In THORAX Vol. 69 (pp. A1-A2). doi:10.1136/thoraxjnl-2014-206260.3
Monitoring Antibody Aggregation in Early Drug Development Using Raman Spectroscopy and Perturbation-Correlation Moving Windows
de la Cuesta, R. G., Goodacre, R., & Ashton, L. (2014). Monitoring Antibody Aggregation in Early Drug Development Using Raman Spectroscopy and Perturbation-Correlation Moving Windows. ANALYTICAL CHEMISTRY, 86(22), 11133-11140. doi:10.1021/ac5038329
Selective induction and subcellular distribution of ACONITASE 3 reveal the importance of cytosolic citrate metabolism during lipid mobilization in <i>Arabidopsis</i>
Hooks, M. A., Allwood, J. W., Harrison, J. K. D., Kopka, J., Erban, A., Goodacre, R., & Balk, J. (2014). Selective induction and subcellular distribution of ACONITASE 3 reveal the importance of cytosolic citrate metabolism during lipid mobilization in <i>Arabidopsis</i>. BIOCHEMICAL JOURNAL, 463, 309-317. doi:10.1042/BJ20140430
Quantitative Online Liquid Chromatography-Surface-Enhanced Raman Scattering of Purine Bases
Cowcher, D. P., Jarvis, R., & Goodacre, R. (2014). Quantitative Online Liquid Chromatography-Surface-Enhanced Raman Scattering of Purine Bases. ANALYTICAL CHEMISTRY, 86(19), 9977-9984. doi:10.1021/ac5029159
Simultaneous multiplexed quantification of nicotine and its metabolites using surface enhanced Raman scattering
Alharbi, O., Xu, Y., & Goodacre, R. (2014). Simultaneous multiplexed quantification of nicotine and its metabolites using surface enhanced Raman scattering. ANALYST, 139(19), 4820-4827. doi:10.1039/c4an00879k
Compositional Equivalence of Grain from Multi-trait Drought-Tolerant Maize Hybrids to a Conventional Comparator: Univariate and Multivariate Assessments
Xu, Y., Goodacre, R., & Harrigan, G. G. (2014). Compositional Equivalence of Grain from Multi-trait Drought-Tolerant Maize Hybrids to a Conventional Comparator: Univariate and Multivariate Assessments. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, 62(39), 9597-9608. doi:10.1021/jf5019609
Taking your breath away: metabolomics breathes life in to personalized medicine
Rattray, N. J. W., Hamrang, Z., Trivedi, D. K., Goodacre, R., & Fowler, S. J. (2014). Taking your breath away: metabolomics breathes life in to personalized medicine. TRENDS IN BIOTECHNOLOGY, 32(10), 538-548. doi:10.1016/j.tibtech.2014.08.003
Multiple metabolomics of uropathogenic <i>E-coli</i> reveal different information content in terms of metabolic potential compared to virulence factors
AlRabiah, H., Xu, Y., Rattray, N. J. W., Vaughan, A. A., Gibreel, T., Sayqal, A., . . . Goodacre, R. (2014). Multiple metabolomics of uropathogenic <i>E-coli</i> reveal different information content in terms of metabolic potential compared to virulence factors. ANALYST, 139(17), 4193-4199. doi:10.1039/c4an00176a
Optimization of matrix assisted desorption/ionization time of flight mass spectrometry (MALDI-TOF-MS) for the characterization of <i>Bacillus</i> and <i>Brevibacillus</i> species
AlMasoud, N., Xu, Y., Nicolaou, N., & Goodacre, R. (2014). Optimization of matrix assisted desorption/ionization time of flight mass spectrometry (MALDI-TOF-MS) for the characterization of <i>Bacillus</i> and <i>Brevibacillus</i> species. ANALYTICA CHIMICA ACTA, 840, 49-57. doi:10.1016/j.aca.2014.06.032
Influence of missing values substitutes on multivariate analysis of metabolomics data.
Gromski, P. S., Xu, Y., Kotze, H. L., Correa, E., Ellis, D. I., Armitage, E. G., . . . Goodacre, R. (2014). Influence of missing values substitutes on multivariate analysis of metabolomics data.. Metabolites, 4(2), 433-452. doi:10.3390/metabo4020433
A comparative investigation of modern feature selection and classification approaches for the analysis of mass spectrometry data
Gromski, P. S., Xu, Y., Correa, E., Ellis, D. I., Turner, M. L., & Goodacre, R. (2014). A comparative investigation of modern feature selection and classification approaches for the analysis of mass spectrometry data. ANALYTICA CHIMICA ACTA, 829, 1-8. doi:10.1016/j.aca.2014.03.039
Electrochemical modulation of SERS at the liquid/liquid interface
Booth, S. G., Cowcher, D. P., Goodacre, R., & Dryfe, R. A. W. (2014). Electrochemical modulation of SERS at the liquid/liquid interface. CHEMICAL COMMUNICATIONS, 50(34), 4482-4484. doi:10.1039/c4cc00359d
A metabolomics investigation into the effects of HIV protease inhibitors on HPV16 E6 expressing cervical carcinoma cells
Kim, D. -H., Allwood, J. W., Moore, R. E., Marsden-Edwards, E., Dunn, W. B., Xu, Y., . . . Goodacre, R. (2014). A metabolomics investigation into the effects of HIV protease inhibitors on HPV16 E6 expressing cervical carcinoma cells. MOLECULAR BIOSYSTEMS, 10(3), 398-411. doi:10.1039/c3mb70423h
Metabolomics in melon: A new opportunity for aroma analysis
Allwood, J. W., Cheung, W., Xu, Y., Mumm, R., De Vos, R. C. H., Deborde, C., . . . Goodacre, R. (2014). Metabolomics in melon: A new opportunity for aroma analysis. PHYTOCHEMISTRY, 99, 61-72. doi:10.1016/j.phytochem.2013.12.010
Water, water, every where, but rarely any drop to drink
Goodacre, R. (2014). Water, water, every where, but rarely any drop to drink. METABOLOMICS, 10(1), 5-7. doi:10.1007/s11306-013-0618-6
A comparison of different chemometrics approaches for the robust classification of electronic nose data
Gromski, P. S., Correa, E., Vaughan, A. A., Wedge, D. C., Turner, M. L., & Goodacre, R. (2014). A comparison of different chemometrics approaches for the robust classification of electronic nose data. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 406(29), 7581-7590. doi:10.1007/s00216-014-8216-7
Chemometrics models for overcoming high between subject variability: applications in clinical metabolic profiling studies
Xu, Y., Fowler, S. J., Bayat, A., & Goodacre, R. (2014). Chemometrics models for overcoming high between subject variability: applications in clinical metabolic profiling studies. METABOLOMICS, 10(3), 375-385. doi:10.1007/s11306-013-0616-8
Evidence That Multiple Defects in Lipid Regulation Occur before Hyperglycemia during the Prodrome of Type-2 Diabetes
Anderson, S. G., Dunn, W. B., Banerjee, M., Brown, M., Broadhurst, D. I., Goodacre, R., . . . Cruickshank, J. K. (2014). Evidence That Multiple Defects in Lipid Regulation Occur before Hyperglycemia during the Prodrome of Type-2 Diabetes. PLOS ONE, 9(9). doi:10.1371/journal.pone.0103217
Implementation of Fourier transform infrared spectroscopy for the rapid typing of uropathogenic <i>Escherichia coli</i>
Dawson, S. E., Gibreel, T., Nicolaou, N., AlRabiah, H., Xu, Y., Goodacre, R., & Upton, M. (2014). Implementation of Fourier transform infrared spectroscopy for the rapid typing of uropathogenic <i>Escherichia coli</i>. EUROPEAN JOURNAL OF CLINICAL MICROBIOLOGY & INFECTIOUS DISEASES, 33(6), 983-988. doi:10.1007/s10096-013-2036-0
Metabolomics and systems pharmacology: why and how to model the human metabolic network for drug discovery
Kell, D. B., & Goodacre, R. (2014). Metabolomics and systems pharmacology: why and how to model the human metabolic network for drug discovery. DRUG DISCOVERY TODAY, 19(2), 171-182. doi:10.1016/j.drudis.2013.07.014
Metabolomics and systems pharmacology: why and how to model the human metabolic network for drug discovery (vol 19, pg 171, 2014)
Kell, D. B., & Goodacre, R. (2014). Metabolomics and systems pharmacology: why and how to model the human metabolic network for drug discovery (vol 19, pg 171, 2014). DRUG DISCOVERY TODAY, 19(11), 1828. doi:10.1016/j.drudis.2014.03.019
Modulation of metabolomic signature on biological treatment with etanercept in psoriasis
Foulkes, A. C., Rattray, N. J. W., Correa, E., Trivedi, D. K., Al-Sharqi, A., Parslew, R., . . . Warren, R. B. (2014). Modulation of metabolomic signature on biological treatment with etanercept in psoriasis. In BRITISH JOURNAL OF DERMATOLOGY Vol. 171 (pp. E169). Retrieved from https://www.webofscience.com/
Simultaneous detection and quantification of three bacterial meningitis pathogens by SERS
Gracie, K., Correa, E., Mabbott, S., Dougan, J. A., Graham, D., Goodacre, R., & Faulds, K. (2014). Simultaneous detection and quantification of three bacterial meningitis pathogens by SERS. CHEMICAL SCIENCE, 5(3), 1030-1040. doi:10.1039/c3sc52875h
2013
The challenge of applying Raman spectroscopy to monitor recombinant antibody production
Ashton, L., Xu, Y., Brewster, V. L., Cowcher, D. P., Sellick, C. A., Dickson, A. J., . . . Goodacre, R. (2013). The challenge of applying Raman spectroscopy to monitor recombinant antibody production. ANALYST, 138(22), 6977-6985. doi:10.1039/c3an01341c
Raman Activated Cell Ejection for Isolation of Single Cells
Wang, Y., Ji, Y., Wharfe, E. S., Meadows, R. S., March, P., Goodacre, R., . . . Huang, W. E. (2013). Raman Activated Cell Ejection for Isolation of Single Cells. ANALYTICAL CHEMISTRY, 85(22), 10697-10701. doi:10.1021/ac403107p
Highly sensitive detection of nitroaromatic explosives at discrete nanowire arrays
Barry, S., Dawson, K., Correa, E., Goodacre, R., & O'Riordan, A. (2013). Highly sensitive detection of nitroaromatic explosives at discrete nanowire arrays. FARADAY DISCUSSIONS, 164, 283-293. doi:10.1039/c3fd00027c
A novel untargeted metabolomics correlation-based network analysis incorporating human metabolic reconstructions
Kotze, H. L., Armitage, E. G., Sharkey, K. J., Allwood, J. W., Dunn, W. B., Williams, K. J., & Goodacre, R. (2013). A novel untargeted metabolomics correlation-based network analysis incorporating human metabolic reconstructions. BMC SYSTEMS BIOLOGY, 7. doi:10.1186/1752-0509-7-107
The role of reporting standards for metabolite annotation and identification in metabolomic studies
Salek, R. M., Steinbeck, C., Viant, M. R., Goodacre, R., & Dunn, W. B. (2013). The role of reporting standards for metabolite annotation and identification in metabolomic studies. GIGASCIENCE, 2. doi:10.1186/2047-217X-2-13
Illuminating disease and enlightening biomedicine: Raman spectroscopy as a diagnostic tool
Ellis, D. I., Cowcher, D. P., Ashton, L., O'Hagan, S., & Goodacre, R. (2013). Illuminating disease and enlightening biomedicine: Raman spectroscopy as a diagnostic tool. ANALYST, 138(14), 3871-3884. doi:10.1039/c3an00698k
Integrating multiple analytical platforms and chemometrics for comprehensive metabolic profiling: application to meat spoilage detection
Xu, Y., Correa, E., & Goodacre, R. (2013). Integrating multiple analytical platforms and chemometrics for comprehensive metabolic profiling: application to meat spoilage detection. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 405(15), 5063-5074. doi:10.1007/s00216-013-6884-3
Metabolomic analyses show that electron donor and acceptor ratios control anaerobic electron transfer pathways in <i>Shewanella oneidensis</i>
Wang, H., Correa, E., Dunn, W. B., Winder, C. L., Goodacre, R., & Lloyd, J. R. (2013). Metabolomic analyses show that electron donor and acceptor ratios control anaerobic electron transfer pathways in <i>Shewanella oneidensis</i>. METABOLOMICS, 9(3), 642-656. doi:10.1007/s11306-012-0488-3
Metabolomics and metabolite profiling
Schuhmacher, R., Krska, R., Weckwerth, W., & Goodacre, R. (2013). Metabolomics and metabolite profiling. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 405(15), 5003-5004. doi:10.1007/s00216-013-6939-5
Dissemination of metabolomics results: role of MetaboLights and COSMOS
Salek, R. M., Haug, K., & Steinbeck, C. (2013). Dissemination of metabolomics results: role of MetaboLights and COSMOS. GIGASCIENCE, 2. doi:10.1186/2047-217X-2-8
Monitoring Guanidinium-Induced Structural Changes in Ribonuclease Proteins Using Raman Spectroscopy and 2D Correlation Analysis
Brewster, V. L., Ashton, L., & Goodacre, R. (2013). Monitoring Guanidinium-Induced Structural Changes in Ribonuclease Proteins Using Raman Spectroscopy and 2D Correlation Analysis. ANALYTICAL CHEMISTRY, 85(7), 3570-3575. doi:10.1021/ac303265q
Investigating alginate production and carbon utilization in <i>Pseudomonas fluorescens</i> SBW25 using mass spectrometry-based metabolic profiling
Lien, S. K., Sletta, H., Ellingsen, T. E., Valla, S., Correa, E., Goodacre, R., . . . Bruheim, P. (2013). Investigating alginate production and carbon utilization in <i>Pseudomonas fluorescens</i> SBW25 using mass spectrometry-based metabolic profiling. METABOLOMICS, 9(2), 403-417. doi:10.1007/s11306-012-0454-0
Portable, Quantitative Detection of <i>Bacillus</i> Bacterial Spores Using Surface-Enhanced Raman Scattering
Cowcher, D. P., Xu, Y., & Goodacre, R. (2013). Portable, Quantitative Detection of <i>Bacillus</i> Bacterial Spores Using Surface-Enhanced Raman Scattering. ANALYTICAL CHEMISTRY, 85(6), 3297-3302. doi:10.1021/ac303657k
High-throughput phenotyping of uropathogenic <i>E</i>. <i>coli</i> isolates with Fourier transform infrared spectroscopy
AlRabiah, H., Correa, E., Upton, M., & Goodacre, R. (2013). High-throughput phenotyping of uropathogenic <i>E</i>. <i>coli</i> isolates with Fourier transform infrared spectroscopy. ANALYST, 138(5), 1363-1369. doi:10.1039/c3an36517d
Mass appeal: metabolite identification in mass spectrometry-focused untargeted metabolomics
Dunn, W. B., Erban, A., Weber, R. J. M., Creek, D. J., Brown, M., Breitling, R., . . . Viant, M. R. (2013). Mass appeal: metabolite identification in mass spectrometry-focused untargeted metabolomics. METABOLOMICS, 9(1), S44-S66. doi:10.1007/s11306-012-0434-4
A comparison of Raman and FT-IR spectroscopy for the prediction of meat spoilage
Argyri, A. A., Jarvis, R. M., Wedge, D., Xu, Y., Panagou, E. Z., Goodacre, R., & Nychas, G. -J. E. (2013). A comparison of Raman and FT-IR spectroscopy for the prediction of meat spoilage. FOOD CONTROL, 29(2), 461-470. doi:10.1016/j.foodcont.2012.05.040
The devil is in the detail
Goodacre, R. (2013). The devil is in the detail. METABOLOMICS, 9(1), 1-2. doi:10.1007/s11306-013-0496-y
Biological Methods for Metabolic Research
Cebrián, A., Menchén, L., Sánchez-López, E., Casado-Vela, J., Díaz-Moralli, S., Cascante, M., . . . Lacal, J. C. (2013). Biological Methods for Metabolic Research. In Methodologies for Metabolomics (pp. 54-76). Cambridge University Press. doi:10.1017/cbo9780511996634.004
Optimization of Parameters for the Quantitative Surface-Enhanced Raman Scattering Detection of Mephedrone Using a Fractional Factorial Design and a Portable Raman Spectrometer
Mabbott, S., Correa, E., Cowcher, D. P., Allwood, J. W., & Goodacre, R. (2013). Optimization of Parameters for the Quantitative Surface-Enhanced Raman Scattering Detection of Mephedrone Using a Fractional Factorial Design and a Portable Raman Spectrometer. ANALYTICAL CHEMISTRY, 85(2), 923-931. doi:10.1021/ac302542r
2p or not 2p: tuppence-based SERS for the detection of illicit materials
Mabbott, S., Eckmann, A., Casiraghi, C., & Goodacre, R. (2013). 2p or not 2p: tuppence-based SERS for the detection of illicit materials. ANALYST, 138(1), 118-122. doi:10.1039/c2an35974j
FT-IR spectroscopic investigation of bacterial cell envelopes from <i>Zymomonas mobilis</i> which have different surface hydrophobicities
Shakirova, L., Grube, M., Goodacre, R., Gavare, M., Auzina, L., & Zikmanis, P. (2013). FT-IR spectroscopic investigation of bacterial cell envelopes from <i>Zymomonas mobilis</i> which have different surface hydrophobicities. VIBRATIONAL SPECTROSCOPY, 64, 51-57. doi:10.1016/j.vibspec.2012.10.008
Flow infusion electrospray ionisation mass spectrometry for high throughput, non-targeted metabolite fingerprinting: a review
Draper, J., Lloyd, A. J., Goodacre, R., & Beckmann, M. (2013). Flow infusion electrospray ionisation mass spectrometry for high throughput, non-targeted metabolite fingerprinting: a review. METABOLOMICS, 9(1), S4-S29. doi:10.1007/s11306-012-0449-x
Proteome and metabolome analyses for food authentication
Vaidyanathan, S., & Goodacre, R. (2003). Proteome and metabolome analyses for food authentication. In Food Authenticity and Traceability (pp. 71-100). Elsevier. doi:10.1533/9781855737181.1.71
2012
Liquid Chromatography-Mass Spectrometry Calibration Transfer and Metabolomics Data Fusion
Vaughan, A. A., Dunn, W. B., Allwood, J. W., Wedge, D. C., Blackhall, F. H., Whetton, A. D., . . . Goodacre, R. (2012). Liquid Chromatography-Mass Spectrometry Calibration Transfer and Metabolomics Data Fusion. ANALYTICAL CHEMISTRY, 84(22), 9848-9857. doi:10.1021/ac302227c
Enhancing Surface Enhanced Raman Scattering (SERS) Detection of Propranolol with Multiobjective Evolutionary Optimization
Levene, C., Correa, E., Blanch, E. W., & Goodacre, R. (2012). Enhancing Surface Enhanced Raman Scattering (SERS) Detection of Propranolol with Multiobjective Evolutionary Optimization. ANALYTICAL CHEMISTRY, 84(18), 7899-7905. doi:10.1021/ac301647a
Fingerprinting food: current technologies for the detection of food adulteration and contamination
Ellis, D. I., Brewster, V. L., Dunn, W. B., Allwood, J. W., Golovanov, A. P., & Goodacre, R. (2012). Fingerprinting food: current technologies for the detection of food adulteration and contamination. CHEMICAL SOCIETY REVIEWS, 41(17), 5706-5727. doi:10.1039/c2cs35138b
Dupuytren's disease metabolite analyses reveals alterations following initial short-term fibroblast culturing
Rehman, S., Xu, Y., Dunn, W. B., Day, P. J. R., Westerhoff, H. V., Goodacre, R., & Bayat, A. (2012). Dupuytren's disease metabolite analyses reveals alterations following initial short-term fibroblast culturing. MOLECULAR BIOSYSTEMS, 8(9), 2274-2288. doi:10.1039/c2mb25173f
Miniaturised free flow isotachophoresis of bacteria using an injection moulded separation device
Prest, J. E., Baldock, S. J., Fielden, P. R., Goddard, N. J., Goodacre, R., O'Connor, R., & Brown, B. J. T. (2012). Miniaturised free flow isotachophoresis of bacteria using an injection moulded separation device. JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES, 903, 53-59. doi:10.1016/j.jchromb.2012.06.040
Detection and Quantification of Bacterial Spoilage in Milk and Pork Meat Using MALDI-TOF-MS and Multivariate Analysis
Nicolaou, N., Xu, Y., & Goodacre, R. (2012). Detection and Quantification of Bacterial Spoilage in Milk and Pork Meat Using MALDI-TOF-MS and Multivariate Analysis. ANALYTICAL CHEMISTRY, 84(14), 5951-5958. doi:10.1021/ac300582d
Rapid reagentless quantification of alginate biosynthesis in <i>Pseudomonas fluorescens</i> bacteria mutants using FT-IR spectroscopy coupled to multivariate partial least squares regression
Correa, E., Sletta, H., Ellis, D. I., Hoel, S., Ertesvag, H., Ellingsen, T. E., . . . Goodacre, R. (2012). Rapid reagentless quantification of alginate biosynthesis in <i>Pseudomonas fluorescens</i> bacteria mutants using FT-IR spectroscopy coupled to multivariate partial least squares regression. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 403(9), 2591-2599. doi:10.1007/s00216-012-6068-6
The optimisation of facile substrates for surface enhanced Raman scattering through galvanic replacement of silver onto copper
Mabbott, S., Larmour, I. A., Vishnyakov, V., Xu, Y., Graham, D., & Goodacre, R. (2012). The optimisation of facile substrates for surface enhanced Raman scattering through galvanic replacement of silver onto copper. ANALYST, 137(12), 2791-2798. doi:10.1039/c2an35323g
Multiblock principal component analysis: an efficient tool for analyzing metabolomics data which contain two influential factors
Xu, Y., & Goodacre, R. (2012). Multiblock principal component analysis: an efficient tool for analyzing metabolomics data which contain two influential factors. METABOLOMICS, 8(1), S37-S51. doi:10.1007/s11306-011-0361-9
Proof-of-principle study to detect metabolic changes in peritoneal dialysis effluent in patients who develop encapsulating peritoneal sclerosis
Dunn, W. B., Summers, A., Brown, M., Goodacre, R., Lambie, M., Johnson, T., . . . Brenchley, P. (2012). Proof-of-principle study to detect metabolic changes in peritoneal dialysis effluent in patients who develop encapsulating peritoneal sclerosis. NEPHROLOGY DIALYSIS TRANSPLANTATION, 27(6), 2502-2510. doi:10.1093/ndt/gfr662
Fourier Transform Ion Cyclotron Resonance mass spectrometry for plant metabolite profiling and metabolite identification.
Allwood, J. W., Parker, D., Beckmann, M., Draper, J., & Goodacre, R. (2012). Fourier Transform Ion Cyclotron Resonance mass spectrometry for plant metabolite profiling and metabolite identification.. Methods in molecular biology (Clifton, N.J.), 860, 157-176. doi:10.1007/978-1-61779-594-7_11
Separating the inseparable: the metabolomic analysis of plant-pathogen interactions.
Allwood, J. W., Heald, J., Lloyd, A. J., Goodacre, R., & Mur, L. A. J. (2012). Separating the inseparable: the metabolomic analysis of plant-pathogen interactions.. Methods in molecular biology (Clifton, N.J.), 860, 31-49. doi:10.1007/978-1-61779-594-7_3
Vibrational Spectroscopy for “Food Forensics”
Brewster, V. L., & Goodacre, R. (2012). Vibrational Spectroscopy for “Food Forensics”. In Unknown Book (pp. 583-592). Wiley. doi:10.1002/9781119962328.ch9c
Metabolomics-assisted synthetic biology
Ellis, D. I., & Goodacre, R. (2012). Metabolomics-assisted synthetic biology. CURRENT OPINION IN BIOTECHNOLOGY, 23(1), 22-28. doi:10.1016/j.copbio.2011.10.014
No seven year itch for <i>Metabolomics</i>
Goodacre, R. (2012). No seven year itch for <i>Metabolomics</i>. METABOLOMICS, 8(1), 1. doi:10.1007/s11306-011-0393-1
Automated workflows for accurate mass-based putative metabolite identification in LC/MS-derived metabolomic datasets (vol 27, pg 1108, 2011)
Brown, M., Wedge, D. C., Goodacre, R., Kell, D. B., Baker, P. N., Kenny, L. C., . . . Dunn, W. B. (2012). Automated workflows for accurate mass-based putative metabolite identification in LC/MS-derived metabolomic datasets (vol 27, pg 1108, 2011). BIOINFORMATICS, 28(1), 149. doi:10.1093/bioinformatics/btr601
Systems biology of HIF metabolism in cancer
Armitage, E., Westerhoff, H., Kotze, H., Goodacre, R., Lockyer, N., & Williams, K. (2012). Systems biology of HIF metabolism in cancer. In MUTAGENESIS Vol. 27 (pp. 120). Retrieved from https://www.webofscience.com/
Systems biology of chemotherapy in hypoxia environments
Kotze, H., Westerhoff, H., Lockyer, N., Goodacre, R., Armitage, E., & Williams, K. (2012). Systems biology of chemotherapy in hypoxia environments. In MUTAGENESIS Vol. 27 (pp. 127). Retrieved from https://www.webofscience.com/
2011
Systems level studies of mammalian metabolomes: the roles of mass spectrometry and nuclear magnetic resonance spectroscopy
Dunn, W. B., Broadhurst, D. I., Atherton, H. J., Goodacre, R., & Griffin, J. L. (2011). Systems level studies of mammalian metabolomes: the roles of mass spectrometry and nuclear magnetic resonance spectroscopy. CHEMICAL SOCIETY REVIEWS, 40(1), 387-426. doi:10.1039/b906712b
Metabolite Profiling of Recombinant CHO Cells: Designing Tailored Feeding Regimes That Enhance Recombinant Antibody Production
Sellick, C. A., Croxford, A. S., Maqsood, A. R., Stephens, G., Westerhoff, H. V., Goodacre, R., & Dickson, A. J. (2011). Metabolite Profiling of Recombinant CHO Cells: Designing Tailored Feeding Regimes That Enhance Recombinant Antibody Production. BIOTECHNOLOGY AND BIOENGINEERING, 108(12), 3025-3031. doi:10.1002/bit.23269
The Importance of Protonation in the Investigation of Protein Phosphorylation Using Raman Spectroscopy and Raman Optical Activity
Ashton, L., Johannessen, C., & Goodacre, R. (2011). The Importance of Protonation in the Investigation of Protein Phosphorylation Using Raman Spectroscopy and Raman Optical Activity. ANALYTICAL CHEMISTRY, 83(20), 7978-7983. doi:10.1021/ac202041f
Integration of metabolomics in heart disease and diabetes research: current achievements and future outlook
Dunn, W. B., Goodacre, R., Neyses, L., & Mamas, M. (2011). Integration of metabolomics in heart disease and diabetes research: current achievements and future outlook. BIOANALYSIS, 3(19), 2205-2222. doi:10.4155/BIO.11.223
Dupuytren's: a systems biology disease
Rehman, S., Goodacre, R., Day, P. J., Bayat, A., & Westerhoff, H. V. (2011). Dupuytren's: a systems biology disease. ARTHRITIS RESEARCH & THERAPY, 13(5). doi:10.1186/ar3438
Is Serum or Plasma More Appropriate for Intersubject Comparisons in Metabolomic Studies? An Assessment in Patients with Small-Cell Lung Cancer
Wedge, D. C., Allwood, J. W., Dunn, W., Vaughan, A. A., Simpson, K., Brown, M., . . . Goodacre, R. (2011). Is Serum or Plasma More Appropriate for Intersubject Comparisons in Metabolomic Studies? An Assessment in Patients with Small-Cell Lung Cancer. ANALYTICAL CHEMISTRY, 83(17), 6689-6697. doi:10.1021/ac2012224
Metabolomic approaches reveal that cell wall modifications play a major role in ethylene-mediated resistance against <i>Botrytis cinerea</i>
Lloyd, A. J., Allwood, J. W., Winder, C. L., Dunn, W. B., Heald, J. K., Cristescu, S. M., . . . Mur, L. A. J. (2011). Metabolomic approaches reveal that cell wall modifications play a major role in ethylene-mediated resistance against <i>Botrytis cinerea</i>. PLANT JOURNAL, 67(5), 852-868. doi:10.1111/j.1365-313X.2011.04639.x
Raman spectroscopy: lighting up the future of microbial identification
Ashton, L., Lau, K., Winder, C. L., & Goodacre, R. (2011). Raman spectroscopy: lighting up the future of microbial identification. FUTURE MICROBIOLOGY, 6(9), 991-997. doi:10.2217/FMB.11.89
Monitoring the Glycosylation Status of Proteins Using Raman Spectroscopy
Brewster, V. L., Ashton, L., & Goodacre, R. (2011). Monitoring the Glycosylation Status of Proteins Using Raman Spectroscopy. ANALYTICAL CHEMISTRY, 83(15), 6074-6081. doi:10.1021/ac2012009
Metabolite extraction from suspension-cultured mammalian cells for global metabolite profiling
Sellick, C. A., Hansen, R., Stephens, G. M., Goodacre, R., & Dickson, A. J. (2011). Metabolite extraction from suspension-cultured mammalian cells for global metabolite profiling. NATURE PROTOCOLS, 6(8), 1241-1249. doi:10.1038/nprot.2011.366
Fourier Transform Infrared and Raman Spectroscopies for the Rapid Detection, Enumeration, and Growth Interaction of the Bacteria <i>Staphylococcus aureus</i> and <i>Lactococcus lactis</i> ssp <i>cremoris</i> in Milk
Nicolaou, N., Xu, Y., & Goodacre, R. (2011). Fourier Transform Infrared and Raman Spectroscopies for the Rapid Detection, Enumeration, and Growth Interaction of the Bacteria <i>Staphylococcus aureus</i> and <i>Lactococcus lactis</i> ssp <i>cremoris</i> in Milk. ANALYTICAL CHEMISTRY, 83(14), 5681-5687. doi:10.1021/ac2008256
Screening ionic liquids for use in biotransformations with whole microbial cells
Wood, N., Ferguson, J. L., Gunaratne, H. Q. N., Seddon, K. R., Goodacre, R., & Stephens, G. M. (2011). Screening ionic liquids for use in biotransformations with whole microbial cells. GREEN CHEMISTRY, 13(7), 1843-1851. doi:10.1039/c0gc00579g
TARDIS-based microbial metabolomics: time and relative differences in systems
Winder, C. L., Dunn, W. B., & Goodacre, R. (2011). TARDIS-based microbial metabolomics: time and relative differences in systems. TRENDS IN MICROBIOLOGY, 19(7), 315-322. doi:10.1016/j.tim.2011.05.004
Procedures for large-scale metabolic profiling of serum and plasma using gas chromatography and liquid chromatography coupled to mass spectrometry
Dunn, W. B., Broadhurst, D., Begley, P., Zelena, E., Francis-McIntyre, S., Anderson, N., . . . Goodacre, R. (2011). Procedures for large-scale metabolic profiling of serum and plasma using gas chromatography and liquid chromatography coupled to mass spectrometry. NATURE PROTOCOLS, 6(7), 1060-1083. doi:10.1038/nprot.2011.335
Structural, spectroscopic and redox properties of uranyl complexes with a maleonitrile containing ligand
Hardwick, H. C., Royal, D. S., Helliwell, M., Pope, S. J. A., Ashton, L., Goodacre, R., & Sharrad, C. A. (2011). Structural, spectroscopic and redox properties of uranyl complexes with a maleonitrile containing ligand. DALTON TRANSACTIONS, 40(22), 5939-5952. doi:10.1039/c0dt01580f
Extensive metabolic cross-talk in melon fruit revealed by spatial and developmental combinatorial metabolomics
Moing, A., Aharoni, A., Biais, B., Rogachev, I., Meir, S., Brodsky, L., . . . Hall, R. D. (2011). Extensive metabolic cross-talk in melon fruit revealed by spatial and developmental combinatorial metabolomics. NEW PHYTOLOGIST, 190(3), 683-696. doi:10.1111/j.1469-8137.2010.03626.x
ATR (ataxia telangiectasia mutated- and Rad3-related kinase) is activated by mild hypothermia in mammalian cells and subsequently activates p53
Roobol, A., Roobol, J., Carden, M. J., Bastide, A., Willis, A. E., Dunn, W. B., . . . Smales, C. M. (2011). ATR (ataxia telangiectasia mutated- and Rad3-related kinase) is activated by mild hypothermia in mammalian cells and subsequently activates p53. BIOCHEMICAL JOURNAL, 435, 499-508. doi:10.1042/BJ20101303
Automated workflows for accurate mass-based putative metabolite identification in LC/MS-derived metabolomic datasets
Brown, M., Wedge, D. C., Goodacre, R., Kell, D. B., Baker, P. N., Kenny, L. C., . . . Dunn, W. B. (2011). Automated workflows for accurate mass-based putative metabolite identification in LC/MS-derived metabolomic datasets. BIOINFORMATICS, 27(8), 1108-1112. doi:10.1093/bioinformatics/btr079
Angiotensin Converting Enzyme Exerts System Control Over Fuel Handling In Skeletal Muscle
Flueck, M., Vaughan, D., Allwood, W., Hoppeler, H., Huber-Abel, F., Rittweger, J., . . . Goodacre, R. (2011). Angiotensin Converting Enzyme Exerts System Control Over Fuel Handling In Skeletal Muscle. In FASEB JOURNAL Vol. 25. Retrieved from https://www.webofscience.com/
MALDI-MS and multivariate analysis for the detection and quantification of different milk species
Nicolaou, N., Xu, Y., & Goodacre, R. (2011). MALDI-MS and multivariate analysis for the detection and quantification of different milk species. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 399(10), 3491-3502. doi:10.1007/s00216-011-4728-6
PROGRESS IN CHEMOMETRICS AND BIOSTATISTICS FOR PLANT APPLICATIONS, OR: A GOOD RED WINE IS A BAD WHITE WINE
Kopka, J., Walther, D., Allwood, J. W., & Goodacre, R. (2011). PROGRESS IN CHEMOMETRICS AND BIOSTATISTICS FOR PLANT APPLICATIONS, OR: A GOOD RED WINE IS A BAD WHITE WINE. In BIOLOGY OF PLANT METABOLOMICS (Vol. 43, pp. 317-342). doi:10.1002/9781444339956.ch10
Metabolic profiling of meat: assessment of pork hygiene and contamination with <i>Salmonella typhimurium</i>
Xu, Y., Cheung, W., Winder, C. L., Dunn, W. B., & Goodacre, R. (2011). Metabolic profiling of meat: assessment of pork hygiene and contamination with <i>Salmonella typhimurium</i>. ANALYST, 136(3), 508-514. doi:10.1039/c0an00394h
A genetic algorithm-Bayesian network approach for the analysis of metabolomics and spectroscopic data: application to the rapid identification of Bacillus spores and classification of Bacillus species
Correa, E., & Goodacre, R. (2011). A genetic algorithm-Bayesian network approach for the analysis of metabolomics and spectroscopic data: application to the rapid identification of Bacillus spores and classification of Bacillus species. BMC BIOINFORMATICS, 12. doi:10.1186/1471-2105-12-33
Metabolic fingerprinting as a tool to monitor whole-cell biotransformations
Winder, C. L., Cornmell, R., Schuler, S., Jarvis, R. M., Stephens, G. M., & Goodacre, R. (2011). Metabolic fingerprinting as a tool to monitor whole-cell biotransformations. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 399(1), 387-401. doi:10.1007/s00216-010-4342-z
PLANT METABOLOMICS AND ITS POTENTIAL FOR SYSTEMS BIOLOGY RESEARCH: BACKGROUND CONCEPTS, TECHNOLOGY, AND METHODOLOGY
Allwood, J. W., De Vos, R. C. H., Moing, A., Deborde, C., Erban, A., Kopka, J., . . . Hall, R. D. (2011). PLANT METABOLOMICS AND ITS POTENTIAL FOR SYSTEMS BIOLOGY RESEARCH: BACKGROUND CONCEPTS, TECHNOLOGY, AND METHODOLOGY. METHODS IN ENZYMOLOGY, VOL 500, 500, 299-336. doi:10.1016/B978-0-12-385118-5.00016-5
The role of metabolites and metabolomics in clinically applicable biomarkers of disease
Mamas, M., Dunn, W. B., Neyses, L., & Goodacre, R. (2011). The role of metabolites and metabolomics in clinically applicable biomarkers of disease. ARCHIVES OF TOXICOLOGY, 85(1), 5-17. doi:10.1007/s00204-010-0609-6
2010
A Robot Scientist Approach Towards Optimization Of SERS
Levene, C., Correa, E., Goodacre, R., & Blanch, E. W. (2010). A Robot Scientist Approach Towards Optimization Of SERS. In XXII INTERNATIONAL CONFERENCE ON RAMAN SPECTROSCOPY Vol. 1267 (pp. 968-+). Retrieved from https://www.webofscience.com/
Fourier transform infrared spectroscopy as a metabolite fingerprinting tool for monitoring the phenotypic changes in complex bacterial communities capable of degrading phenol
Wharfe, E. S., Jarvis, R. M., Winder, C. L., Whiteley, A. S., & Goodacre, R. (2010). Fourier transform infrared spectroscopy as a metabolite fingerprinting tool for monitoring the phenotypic changes in complex bacterial communities capable of degrading phenol. ENVIRONMENTAL MICROBIOLOGY, 12(12), 3253-3263. doi:10.1111/j.1462-2920.2010.02300.x
Phenotypic profiling of keloid scars using FT-IR microspectroscopy reveals a unique spectral signature
Hollywood, K. A., Maatje, M., Shadi, I. T., Henderson, A., McGrouther, D. A., Goodacre, R., & Bayat, A. (2010). Phenotypic profiling of keloid scars using FT-IR microspectroscopy reveals a unique spectral signature. ARCHIVES OF DERMATOLOGICAL RESEARCH, 302(10), 705-715. doi:10.1007/s00403-010-1071-2
Raman chemical mapping reveals site of action of HIV protease inhibitors in HPV16 E6 expressing cervical carcinoma cells
Kim, D. -H., Jarvis, R. M., Allwood, J. W., Batman, G., Moore, R. E., Marsden-Edwards, E., . . . Goodacre, R. (2010). Raman chemical mapping reveals site of action of HIV protease inhibitors in HPV16 E6 expressing cervical carcinoma cells. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 398(7-8), 3051-3061. doi:10.1007/s00216-010-4283-6
Rapid Characterization of <i>N</i>-linked Glycans from Secreted and Gel-Purified Monoclonal Antibodies Using MALDI-ToF Mass Spectrometry
Hansen, R., Dickson, A. J., Goodacre, R., Stephens, G. M., & Sellick, C. A. (2010). Rapid Characterization of <i>N</i>-linked Glycans from Secreted and Gel-Purified Monoclonal Antibodies Using MALDI-ToF Mass Spectrometry. BIOTECHNOLOGY AND BIOENGINEERING, 107(5), 902-908. doi:10.1002/bit.22879
Phenotypic Characterization of <i>Shewanella oneidensis</i> MR-1 under Aerobic and Anaerobic Growth Conditions by Using Fourier Transform Infrared Spectroscopy and High-Performance Liquid Chromatography Analyses
Wang, H., Hollywood, K., Jarvis, R. M., Lloyd, J. R., & Goodacre, R. (2010). Phenotypic Characterization of <i>Shewanella oneidensis</i> MR-1 under Aerobic and Anaerobic Growth Conditions by Using Fourier Transform Infrared Spectroscopy and High-Performance Liquid Chromatography Analyses. APPLIED AND ENVIRONMENTAL MICROBIOLOGY, 76(18), 6266-6276. doi:10.1128/AEM.00912-10
Multiobjective evolutionary optimisation for surface-enhanced Raman scattering
Jarvis, R. M., Rowe, W., Yaffe, N. R., O'Connor, R., Knowles, J. D., Blanch, E. W., & Goodacre, R. (2010). Multiobjective evolutionary optimisation for surface-enhanced Raman scattering. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 397(5), 1893-1901. doi:10.1007/s00216-010-3739-z
Novel noninvasive identification of biomarkers by analytical profiling of chronic wounds using volatile organic compounds
Thomas, A. N., Riazanskaia, S., Cheung, W., Xu, Y., Goodacre, R., Thomas, C. L. P., . . . Bayat, A. (2010). Novel noninvasive identification of biomarkers by analytical profiling of chronic wounds using volatile organic compounds. WOUND REPAIR AND REGENERATION, 18(4), 391-400. doi:10.1111/j.1524-475X.2010.00592.x
VOC-based metabolic profiling for food spoilage detection with the application to detecting Salmonella typhimurium-contaminated pork
Xu, Y., Cheung, W., Winder, C. L., & Goodacre, R. (2010). VOC-based metabolic profiling for food spoilage detection with the application to detecting Salmonella typhimurium-contaminated pork. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 397(6), 2439-2449. doi:10.1007/s00216-010-3771-z
Rapid Monitoring of Recombinant Antibody Production by Mammalian Cell Cultures Using Fourier Transform Infrared Spectroscopy and Chemometrics
Sellick, C. A., Hansen, R., Jarvis, R. M., Maqsood, A. R., Stephens, G. M., Dickson, A. J., & Goodacre, R. (2010). Rapid Monitoring of Recombinant Antibody Production by Mammalian Cell Cultures Using Fourier Transform Infrared Spectroscopy and Chemometrics. BIOTECHNOLOGY AND BIOENGINEERING, 106(3), 432-442. doi:10.1002/bit.22707
Evaluation of extraction processes for intracellular metabolite profiling of mammalian cells: matching extraction approaches to cell type and metabolite targets
Sellick, C. A., Knight, D., Croxford, A. S., Maqsood, A. R., Stephens, G. M., Goodacre, R., & Dickson, A. J. (2010). Evaluation of extraction processes for intracellular metabolite profiling of mammalian cells: matching extraction approaches to cell type and metabolite targets. METABOLOMICS, 6(3), 427-438. doi:10.1007/s11306-010-0216-9
Monitoring the Succinate Dehydrogenase Activity Isolated from Mitochondria by Surface Enhanced Raman Scattering
Hollywood, K. A., Shadi, I. T., & Goodacre, R. (2010). Monitoring the Succinate Dehydrogenase Activity Isolated from Mitochondria by Surface Enhanced Raman Scattering. JOURNAL OF PHYSICAL CHEMISTRY C, 114(16), 7308-7313. doi:10.1021/jp908950x
Quantitative Analysis of the Banned Food Dye Sudan-1 Using Surface Enhanced Raman Scattering with Multivariate Chemometrics
Cheung, W., Shadi, I. T., Xu, Y., & Goodacre, R. (2010). Quantitative Analysis of the Banned Food Dye Sudan-1 Using Surface Enhanced Raman Scattering with Multivariate Chemometrics. JOURNAL OF PHYSICAL CHEMISTRY C, 114(16), 7285-7290. doi:10.1021/jp908892n
Dual metabolomics: A novel approach to understanding plant-pathogen interactions
Allwood, J. W., Clarke, A., Goodacre, R., & Mur, L. A. J. (2010). Dual metabolomics: A novel approach to understanding plant-pathogen interactions. PHYTOCHEMISTRY, 71(5-6), 590-597. doi:10.1016/j.phytochem.2010.01.006
Monitoring the Effects of Chiral Pharmaceuticals on Aquatic Microorganisms by Metabolic Fingerprinting
Wharfe, E. S., Winder, C. L., Jarvis, R. M., & Goodacre, R. (2010). Monitoring the Effects of Chiral Pharmaceuticals on Aquatic Microorganisms by Metabolic Fingerprinting. APPLIED AND ENVIRONMENTAL MICROBIOLOGY, 76(7), 2075-2085. doi:10.1128/AEM.02395-09
SERUM METABOLITE PROFILES DIFFERENTIATE CROHN'S DISEASE FROM ULCERATIVE COLITIS AND FROM HEALTHY CONTROLS
Johnston, C., Dunn, W., Broadhurst, D., Brown, M., Makin, A., Campbell, S., . . . Watson, A. J. M. (2010). SERUM METABOLITE PROFILES DIFFERENTIATE CROHN'S DISEASE FROM ULCERATIVE COLITIS AND FROM HEALTHY CONTROLS. In GUT Vol. 59 (pp. A61). doi:10.1136/gut.2009.209031s
An overflow of… what else but metabolism!
Goodacre, R. (2010). An overflow of… what else but metabolism!. Metabolomics, 6(1), 1-2. doi:10.1007/s11306-010-0201-3
Impact of Silver(I) on the Metabolism of <i>Shewanella oneidensis</i>
Wang, H., Law, N., Pearson, G., van Dongen, B. E., Jarvis, R. M., Goodacre, R., & Lloyd, J. R. (2010). Impact of Silver(I) on the Metabolism of <i>Shewanella oneidensis</i>. JOURNAL OF BACTERIOLOGY, 192(4), 1143-1150. doi:10.1128/JB.01277-09
Metabolic acclimation to hypoxia revealed by metabolite gradients in melon fruit
Biais, B., Beauvoit, B., Allwood, J. W., Deborde, C., Maucourt, M., Goodacre, R., . . . Moing, A. (2010). Metabolic acclimation to hypoxia revealed by metabolite gradients in melon fruit. JOURNAL OF PLANT PHYSIOLOGY, 167(3), 242-245. doi:10.1016/j.jplph.2009.08.010
An Introduction to Liquid Chromatography-Mass Spectrometry Instrumentation Applied in Plant Metabolomic Analyses
Allwood, J. W., & Goodacre, R. (2010). An Introduction to Liquid Chromatography-Mass Spectrometry Instrumentation Applied in Plant Metabolomic Analyses. PHYTOCHEMICAL ANALYSIS, 21(1), 33-47. doi:10.1002/pca.1187
Assessment of adaptive focused acoustics <i>versus</i> manual vortex/freeze-thaw for intracellular metabolite extraction from <i>Streptomyces lividans</i> producing recombinant proteins using GC-MS and multi-block principal component analysis
Kassama, Y., Xu, Y., Dunn, W. B., Geukens, N., Anne, J., & Goodacre, R. (2010). Assessment of adaptive focused acoustics <i>versus</i> manual vortex/freeze-thaw for intracellular metabolite extraction from <i>Streptomyces lividans</i> producing recombinant proteins using GC-MS and multi-block principal component analysis. ANALYST, 135(5), 934-942. doi:10.1039/b918163f
Combining metabolic fingerprinting and footprinting to understand the phenotypic response of HPV16 E6 expressing cervical carcinoma cells exposed to the HIV anti-viral drug lopinavir
Kim, D. -H., Jarvis, R. M., Xu, Y., Oliver, A. W., Allwood, J. W., Hampson, L., . . . Goodacre, R. (2010). Combining metabolic fingerprinting and footprinting to understand the phenotypic response of HPV16 E6 expressing cervical carcinoma cells exposed to the HIV anti-viral drug lopinavir. ANALYST, 135(6), 1235-1244. doi:10.1039/b923046g
Fourier transform infrared spectroscopy and multivariate analysis for the detection and quantification of different milk species
Nicolaou, N., Xu, Y., & Goodacre, R. (2010). Fourier transform infrared spectroscopy and multivariate analysis for the detection and quantification of different milk species. JOURNAL OF DAIRY SCIENCE, 93(12), 5651-5660. doi:10.3168/jds.2010-3619
Non-invasive metabolomic analysis of breath using differential mobility spectrometry in patients with chronic obstructive pulmonary disease and healthy smokers
Basanta, M., Jarvis, R. M., Xu, Y., Blackburn, G., Tal-Singer, R., Woodcock, A., . . . Fowler, S. J. (2010). Non-invasive metabolomic analysis of breath using differential mobility spectrometry in patients with chronic obstructive pulmonary disease and healthy smokers. ANALYST, 135(2), 315-320. doi:10.1039/b916374c
Serum Metabolite Profiles Differentiate Crohn's Disease From Ulcerative Colitis and From Healthy Controls
Johnston, C., Dunn, W., Broadhurst, D., Brown, M., Goodacre, R., Campbell, S., . . . Watson, A. J. (2010). Serum Metabolite Profiles Differentiate Crohn's Disease From Ulcerative Colitis and From Healthy Controls. In GASTROENTEROLOGY Vol. 138 (pp. S523). Retrieved from https://www.webofscience.com/
Serum metabolite profiles differentiate Crohn's disease from ulcerative colitis and from healthy controls
Johnston, C., Dunn, W., Broadhurst, D., Brown, M., Makin, A., Campbell, S., . . . Watson, A. (2010). Serum metabolite profiles differentiate Crohn's disease from ulcerative colitis and from healthy controls. In BRITISH JOURNAL OF SURGERY Vol. 97 (pp. S23). Retrieved from https://www.webofscience.com/
Shining Light on the Microbial World: The Application of Raman Microspectroscopy
Huang, W. E., Li, M., Jarvis, R. M., Goodacre, R., & Banwart, S. A. (2010). Shining Light on the Microbial World: The Application of Raman Microspectroscopy. ADVANCES IN APPLIED MICROBIOLOGY, VOL 70, 70, 153-186. doi:10.1016/S0065-2164(10)70005-8
2009
Inter-laboratory reproducibility of fast gas chromatography-electron impact-time of flight mass spectrometry (GC-EI-TOF/MS) based plant metabolomics
Allwood, J. W., Erban, A., de Koning, S., Dunn, W. B., Luedemann, A., Lommen, A., . . . Goodacre, R. (2009). Inter-laboratory reproducibility of fast gas chromatography-electron impact-time of flight mass spectrometry (GC-EI-TOF/MS) based plant metabolomics. METABOLOMICS, 5(4), 479-496. doi:10.1007/s11306-009-0169-z
Development and Performance of a Gas Chromatography-Time-of-Flight Mass Spectrometry Analysis for Large-Scale Nontargeted Metabolomic Studies of Human Serum
Begley, P., Francis-McIntyre, S., Dunn, W. B., Broadhurst, D. I., Halsall, A., Tseng, A., . . . Kell, D. B. (2009). Development and Performance of a Gas Chromatography-Time-of-Flight Mass Spectrometry Analysis for Large-Scale Nontargeted Metabolomic Studies of Human Serum. ANALYTICAL CHEMISTRY, 81(16), 7038-7046. doi:10.1021/ac9011599
Biomarkers of Dietary Energy Restriction in Women at Increased Risk of Breast Cancer
Ong, K. R., Sims, A. H., Harvie, M., Chapman, M., Dunn, W. B., Broadhurst, D., . . . Howell, A. (2009). Biomarkers of Dietary Energy Restriction in Women at Increased Risk of Breast Cancer. CANCER PREVENTION RESEARCH, 2(8), 720-731. doi:10.1158/1940-6207.CAPR-09-0008
Quantitative analysis of methyl green using surface-enhanced resonance Raman scattering
Shadi, I. T., Cheung, W., & Goodacre, R. (2009). Quantitative analysis of methyl green using surface-enhanced resonance Raman scattering. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 394(7), 1833-1838. doi:10.1007/s00216-009-2896-4
<SUP>1</SUP>H NMR, GC-EI-TOFMS, and Data Set Correlation for Fruit Metabolomics: Application to Spatial Metabolite Analysis in Melon
Biais, B., Allwood, J. W., Deborde, C., Xu, Y., Maucourt, M., Beauvoit, B., . . . Moing, A. (2009). <SUP>1</SUP>H NMR, GC-EI-TOFMS, and Data Set Correlation for Fruit Metabolomics: Application to Spatial Metabolite Analysis in Melon. ANALYTICAL CHEMISTRY, 81(8), 2884-2894. doi:10.1021/ac9001996
Discrimination of bacteria using pyrolysis-gas chromatography-differential mobility spectrometry (Py-GC-DMS) and chemometrics
Cheung, W., Xu, Y., Thomas, C. L. P., & Goodacre, R. (2009). Discrimination of bacteria using pyrolysis-gas chromatography-differential mobility spectrometry (Py-GC-DMS) and chemometrics. ANALYST, 134(3), 557-563. doi:10.1039/b812666f
Effective Quenching Processes for Physiologically Valid Metabolite Profiling of Suspension Cultured Mammalian Cells
Sellick, C. A., Hansen, R., Maqsood, A. R., Dunn, W. B., Stephens, G. M., Goodacre, R., & Dickson, A. J. (2009). Effective Quenching Processes for Physiologically Valid Metabolite Profiling of Suspension Cultured Mammalian Cells. ANALYTICAL CHEMISTRY, 81(1), 174-183. doi:10.1021/ac8016899
Explanatory multivariate analysis of ToF-SIMS spectra for the discrimination of bacterial isolates
Vaidyanathan, S., Fletcher, J. S., Jarvis, R. M., Henderson, A., Lockyer, N. P., Goodacre, R., & Vickerman, J. C. (2009). Explanatory multivariate analysis of ToF-SIMS spectra for the discrimination of bacterial isolates. ANALYST, 134(11), 2352-2360. doi:10.1039/b907570d
Imaging mass spectrometry using chemical inkjet printing reveals differential protein expression in human oral squamous cell carcinoma
Patel, S. A., Barnes, A., Loftus, N., Martin, R., Sloan, P., Thakker, N., & Goodacre, R. (2009). Imaging mass spectrometry using chemical inkjet printing reveals differential protein expression in human oral squamous cell carcinoma. ANALYST, 134(2), 301-307. doi:10.1039/b812533c
Mass spectrometry tools and metabolite-specific databases for molecular identification in metabolomics
Brown, M., Dunn, W. B., Dobson, P., Patel, Y., Winder, C. L., Francis-McIntyre, S., . . . Kell, D. B. (2009). Mass spectrometry tools and metabolite-specific databases for molecular identification in metabolomics. ANALYST, 134(7), 1322-1332. doi:10.1039/b901179j
Metabolomic analysis of the interaction between plants and herbivores
Jansen, J. J., Allwood, J. W., Marsden-Edwards, E., van der Putten, W. H., Goodacre, R., & van Dam, N. M. (2009). Metabolomic analysis of the interaction between plants and herbivores. METABOLOMICS, 5(1), 150-161. doi:10.1007/s11306-008-0124-4
Optimizing CHO Cell Culture Conditions
Sellick, C. A., Maqsood, A. R., Croxford, A. S., Dickson, A. J., Goodacre, R., & Stephens, G. M. (2009). Optimizing CHO Cell Culture Conditions. GENETIC ENGINEERING & BIOTECHNOLOGY NEWS, 29(17), 56-57. Retrieved from https://www.webofscience.com/
Serum Metabolomics Identifies Novel Signature Metabolites in Very Early Cardiac Ischaemia: First in Human Study
Mamas, M., Dunn, W., Broadhurst, D., Chacko, S., Brown, M., El-Omar, M., . . . Neyses, L. (2009). Serum Metabolomics Identifies Novel Signature Metabolites in Very Early Cardiac Ischaemia: First in Human Study. In CIRCULATION Vol. 120 (pp. S892). Retrieved from https://www.webofscience.com/
2008
Regression analysis for supply chain logged data: A simulated case study on shelf life prediction
Xuan-Tien Doan., Kidd, P. T., Goodacre, R., & Grieve, B. D. (2008). Regression analysis for supply chain logged data: A simulated case study on shelf life prediction. In 2008 9th International Conference on Signal Processing (pp. 2717-2720). IEEE. doi:10.1109/icosp.2008.4697709
Surface-enhanced Raman scattering from intracellular and extracellular bacterial locations
Jarvis, R. M., Law, N., Shadi, L. T., O'Brien, P., Lloyd, J. R., & Goodacre, R. (2008). Surface-enhanced Raman scattering from intracellular and extracellular bacterial locations. ANALYTICAL CHEMISTRY, 80(17), 6741-6746. doi:10.1021/ac800838v
Accumulation of ionic liquids in <i>Escherichia coli</i> cells
Cornmell, R. J., Winder, C. L., Tiddy, G. J. T., Goodacre, R., & Stephens, G. (2008). Accumulation of ionic liquids in <i>Escherichia coli</i> cells. GREEN CHEMISTRY, 10(8), 836-841. doi:10.1039/b807214k
Dissecting the mechanisms of environmental stress adaptation: A systems biology approach
Cossins, A., Hayward, S., Gossage, S., & Goodacre, R. (2008). Dissecting the mechanisms of environmental stress adaptation: A systems biology approach. In COMPARATIVE BIOCHEMISTRY AND PHYSIOLOGY A-MOLECULAR & INTEGRATIVE PHYSIOLOGY Vol. 150 (pp. S43). doi:10.1016/j.cbpa.2008.04.012
Relatedness of medically important strains of <i>Saccharomyces cerevisiae</i> as revealed by phylogenetics and metabolomics
MacKenzie, D. A., Defernez, M., Dunn, W. B., Brown, M., Fuller, L. J., Seco de Herrera, S. R. M., . . . Roberts, I. N. (2008). Relatedness of medically important strains of <i>Saccharomyces cerevisiae</i> as revealed by phylogenetics and metabolomics. YEAST, 25(7), 501-512. doi:10.1002/yea.1601
Using a biphasic ionic liquid/water reaction system to improve oxygenase-catalysed biotransformation with whole cells
Cornmell, R. J., Winder, C. L., Schuler, S., Goodacre, R., & Stephens, G. (2008). Using a biphasic ionic liquid/water reaction system to improve oxygenase-catalysed biotransformation with whole cells. GREEN CHEMISTRY, 10(6), 685-691. doi:10.1039/b716602h
Characterisation and identification of bacteria using SERS
Jarvis, R. M., & Goodacre, R. (2008). Characterisation and identification of bacteria using SERS. CHEMICAL SOCIETY REVIEWS, 37(5), 931-936. doi:10.1039/b705973f
Chemical and bioanalytical applications of surface enhanced Raman scattering spectroscopy
Graham, D., & Goodacre, R. (2008). Chemical and bioanalytical applications of surface enhanced Raman scattering spectroscopy. CHEMICAL SOCIETY REVIEWS, 37(5), 883-884. doi:10.1039/b804297g
Global metabolic profiling of <i>Escherichia coli</i> cultures:: An evaluation of methods for quenching and extraction of intracellular metabolites
Winder, C. L., Dunn, W. B., Schuler, S., Broadhurst, D., Jarvis, R., Stephens, G. M., & Goodacre, R. (2008). Global metabolic profiling of <i>Escherichia coli</i> cultures:: An evaluation of methods for quenching and extraction of intracellular metabolites. ANALYTICAL CHEMISTRY, 80(8), 2939-2948. doi:10.1021/ac7023409
Subsurface biomolecular imaging of <i>Streptomyces coelicolor</i> using secondary ion mass spectrometry
Vaidyanathan, S., Fletcher, J. S., Goodacre, R., Lockyer, N. P., Micklefield, J., & Vickerman, J. C. (2008). Subsurface biomolecular imaging of <i>Streptomyces coelicolor</i> using secondary ion mass spectrometry. ANALYTICAL CHEMISTRY, 80(6), 1942-1951. doi:10.1021/ac701921e
Biomarker metabolites capturing the metabolite variance present in a rice plant developmental period
Allwood, J. W., Ellis, D. I., & Goodacre, R. (2008). Biomarker metabolites capturing the metabolite variance present in a rice plant developmental period. PHYSIOLOGIA PLANTARUM, 132(2), 117-135. doi:10.1111/j.1399-3054.2007.01001.x
Multiplexed detection of six labelled oligonucleotides using surface enhanced resonance Raman scattering (SERRS)
Faulds, K., Jarvis, R., Smith, W. E., Graham, D., & Goodacre, R. (2008). Multiplexed detection of six labelled oligonucleotides using surface enhanced resonance Raman scattering (SERRS). ANALYST, 133(11), 1505-1512. doi:10.1039/b800506k
Rapid and quantitative detection of the microbial spoilage in milk using Fourier transform infrared spectroscopy and chemometrics
Nicolaou, N., & Goodacre, R. (2008). Rapid and quantitative detection of the microbial spoilage in milk using Fourier transform infrared spectroscopy and chemometrics. ANALYST, 133(10), 1424-1431. doi:10.1039/b804439b
Regression analysis for supply chain logged data: A simulated case study on shelf life prediction
Doan, X. -T., Kidd, P. T., Goodacre, R., & Grieve, B. D. (2008). Regression analysis for supply chain logged data: A simulated case study on shelf life prediction. In ICSP: 2008 9TH INTERNATIONAL CONFERENCE ON SIGNAL PROCESSING, VOLS 1-5, PROCEEDINGS (pp. 2714-+). Retrieved from https://www.webofscience.com/
Spatial metabolic fingerprinting using FT-IR spectroscopy: investigating abiotic stresses on <i>Micrasterias hardyi</i>
Patel, S. A., Currie, F., Thakker, N., & Goodacre, R. (2008). Spatial metabolic fingerprinting using FT-IR spectroscopy: investigating abiotic stresses on <i>Micrasterias hardyi</i>. ANALYST, 133(12), 1707-1713. doi:10.1039/b809441a
Towards quantitatively reproducible substrates for SERS
Jarvis, R. M., Johnson, H. E., Olembe, E., Panneerselvam, A., Malik, M. A., Afzaal, M., . . . Goodacre, R. (2008). Towards quantitatively reproducible substrates for SERS. ANALYST, 133(10), 1449-1452. doi:10.1039/b800340h
2007
Comparison of five xylan synthesis mutants reveals new insight into the mechanisms of xylan synthesis
Brown, D. M., Goubet, F., Vicky, W. W. A., Goodacre, R., Stephens, E., Dupree, P., & Turner, S. R. (2007). Comparison of five xylan synthesis mutants reveals new insight into the mechanisms of xylan synthesis. PLANT JOURNAL, 52(6), 1154-1168. doi:10.1111/j.1365-313X.2007.03307.x
From phenotype to genotype: whole tissue profiling for plant breeding
Goodacre, R., Roberts, L., Ellis, D. I., Thorogood, D., Reader, S. M., Ougham, H., & King, I. (2007). From phenotype to genotype: whole tissue profiling for plant breeding. METABOLOMICS, 3(4), 489-501. doi:10.1007/s11306-007-0062-6
Proposed minimum reporting standards for chemical analysis
Sumner, L. W., Amberg, A., Barrett, D., Beale, M. H., Beger, R., Daykin, C. A., . . . Viant, M. R. (2007). Proposed minimum reporting standards for chemical analysis. METABOLOMICS, 3(3), 211-221. doi:10.1007/s11306-007-0082-2
Proposed minimum reporting standards for data analysis in metabolomics
Goodacre, R., Broadhurst, D., Smilde, A. K., Kristal, B. S., Baker, J. D., Beger, R., . . . Wulfert, F. (2007). Proposed minimum reporting standards for data analysis in metabolomics. METABOLOMICS, 3(3), 231-241. doi:10.1007/s11306-007-0081-3
Metabolic fingerprinting as a diagnostic tool
Ellis, D. I., Dunn, W. B., Griffin, J. L., Allwood, J. W., & Goodacre, R. (2007). Metabolic fingerprinting as a diagnostic tool. PHARMACOGENOMICS, 8(9), 1243-1266. doi:10.2217/14622416.8.9.1243
The metabolomics standards initiative (MSI)
Fiehn, O., Robertson, D., Griffin, J., van der Werf, M., Nikolau, B., Morrison, N., . . . Sansone, S. -A. (2007). The metabolomics standards initiative (MSI). METABOLOMICS, 3(3), 175-178. doi:10.1007/s11306-007-0070-6
Metabolic footprinting as a tool for discriminating between brewing yeasts
Pope, G. A., MacKenzie, D. A., Defemez, M., Aroso, M. A. M. M., Fuller, L. J., Mellon, F. A., . . . Roberts, I. N. (2007). Metabolic footprinting as a tool for discriminating between brewing yeasts. YEAST, 24(8), 667-679. doi:10.1002/yea.1499
The metabolomics standards initiative
Sansone, S. -A., Fan, T., Goodacre, R., Griffin, J. L., Hardy, N. W., Kaddurah-Daouk, R., . . . Fiehn, O. (2007). The metabolomics standards initiative. NATURE BIOTECHNOLOGY, 25(8), 844-848. doi:10.1038/nbt0807-846b
Laser desorption/ionization mass spectrometry on porous silicon for metabolome analyses: influence of surface oxidation
Vaidyanathan, S., Jones, D., Ellis, J., Jenkins, T., Chong, C., Anderson, M., & Goodacre, R. (2007). Laser desorption/ionization mass spectrometry on porous silicon for metabolome analyses: influence of surface oxidation. RAPID COMMUNICATIONS IN MASS SPECTROMETRY, 21(13), 2157-2166. doi:10.1002/rcm.3078
Quantitative detection of metabolites using matrix-assisted laser desorption/ionization mass spectrometry with 9-aminoacridine as the matrix
Vaidyanathan, S., & Goodacre, R. (2007). Quantitative detection of metabolites using matrix-assisted laser desorption/ionization mass spectrometry with 9-aminoacridine as the matrix. RAPID COMMUNICATIONS IN MASS SPECTROMETRY, 21(13), 2072-2078. doi:10.1002/rcm.3063
Rapid methods
van Amerongen, A., Barug, D., & Lauwaars, M. (Eds.) (2007). Rapid methods. In . Wageningen Academic Publishers. doi:10.3920/978-90-8686-606-9
Metabolomics of a superorganism
Goodacre, R. (2007). Metabolomics of a superorganism. In JOURNAL OF NUTRITION Vol. 137 (pp. 259S-266S). doi:10.1093/jn/137.1.259S
Predicting human embryo viability: the road to non-invasive analysis of the secretome using metabolic footprinting
Brison, D. R., Hollywood, K., Arnesen, R., & Goodacre, R. (2007). Predicting human embryo viability: the road to non-invasive analysis of the secretome using metabolic footprinting. REPRODUCTIVE BIOMEDICINE ONLINE, 15(3), 296-302. doi:10.1016/S1472-6483(10)60342-2
Proteome and metabolome analyses for monitoring food quality and authenticity
Vaidyanathan, S., Lopez-Diez, C., & Goodacre, R. (2007). Proteome and metabolome analyses for monitoring food quality and authenticity. In RAPID METHODS FOR FOOD AND FEED QUALITY DETERMINATION (pp. 29-48). Retrieved from https://www.webofscience.com/
Quantification of casein phosphorylation with conformational interpretation using Raman spectroscopy
Jarvis, R. M., Blanch, E. W., Golovanov, A. P., Screen, J., & Goodacre, R. (2007). Quantification of casein phosphorylation with conformational interpretation using Raman spectroscopy. ANALYST, 132(10), 1053-1060. doi:10.1039/b702944f
2006
Rapid characterization of microbial biodegradation pathways by FT-IR spectroscopy
Huang, W. E., Hopper, D., Goodacre, R., Beckmann, M., Singer, A., & Draper, J. (2006). Rapid characterization of microbial biodegradation pathways by FT-IR spectroscopy. JOURNAL OF MICROBIOLOGICAL METHODS, 67(2), 273-280. doi:10.1016/j.mimet.2006.04.009
PYCHEM: a multivariate analysis package for python
Jarvis, R. M., Broadhurst, D., Johnson, H., O'Boyle, N. M., & Goodacre, R. (2006). PYCHEM: a multivariate analysis package for python. BIOINFORMATICS, 22(20), 2565-2566. doi:10.1093/bioinformatics/btl416
Surface-enhanced Raman scattering for the rapid discrimination of bacteria
Jarvis, R. M., Brooker, A., & Goodacre, R. (2006). Surface-enhanced Raman scattering for the rapid discrimination of bacteria. FARADAY DISCUSSIONS, 132, 281-292. doi:10.1039/b506413a
Metabolic fingerprints of <i>Mycobacterium bovis</i> cluster with molecular type:: implications for genotype-phenotype links
Winder, C. L., Gordon, S. V., Dale, J., Hewinson, R. G., & Goodacre, R. (2006). Metabolic fingerprints of <i>Mycobacterium bovis</i> cluster with molecular type:: implications for genotype-phenotype links. MICROBIOLOGY-SGM, 152, 2757-2765. doi:10.1099/mic.0.28986-0
Metabolic fingerprints of Mycobacterium bovis cluster with molecular type: implications for genotype-phenotype links.
Winder, C. L., Gordon, S. V., Dale, J., Hewinson, R. G., & Goodacre, R. (2006). Metabolic fingerprints of Mycobacterium bovis cluster with molecular type: implications for genotype-phenotype links.. Microbiology (Reading, England), 152(Pt 9), 2757-2765. doi:10.1099/mic.0.28986-0
Metabolomics: Current technologies and future trends
Hollywood, K., Brison, D. R., & Goodacre, R. (2006). Metabolomics: Current technologies and future trends. PROTEOMICS, 6(17), 4716-4723. doi:10.1002/pmic.200600106
Using metabolic fingerprinting of plants for evaluating nitrogen deposition impacts on the landscape level
Gidman, E. A., Stevens, C. J., Goodacre, R., Broadhurst, D., Emmett, B., & Gwynn-Jones, D. (2006). Using metabolic fingerprinting of plants for evaluating nitrogen deposition impacts on the landscape level. GLOBAL CHANGE BIOLOGY, 12(8), 1460-1465. doi:10.1111/j.1365-2486.2006.01190.x
Rapid discrimination of the causal agents of urinary tract infection using ToF-SIMS with chemometric cluster analysis
Fletcher, J. S., Henderson, A., Jarvis, R. M., Lockyer, N. P., Vickerman, J. C., & Goodacre, R. (2006). Rapid discrimination of the causal agents of urinary tract infection using ToF-SIMS with chemometric cluster analysis. In APPLIED SURFACE SCIENCE Vol. 252 (pp. 6869-6874). doi:10.1016/j.apsusc.2006.02.153
ToF-SIMS studies of <i>Bacillus</i> using multivariate analysis with possible identification and taxonomic applications
Thompson, C. E., Ellis, J., Fletcher, J. S., Goodacre, R., Henderson, A., Lockyer, N. P., & Vickerman, J. C. (2006). ToF-SIMS studies of <i>Bacillus</i> using multivariate analysis with possible identification and taxonomic applications. In APPLIED SURFACE SCIENCE Vol. 252 (pp. 6719-6722). doi:10.1016/j.apsusc.2006.02.237
Rapid analysis of microbiological systems using SERS
Jarvis, R., Clarke, S., & Goodacre, R. (2006). Rapid analysis of microbiological systems using SERS. SURFACE-ENHANCED RAMAN SCATTERING: PHYSICS AND APPLICATIONS, 103, 397-408. Retrieved from https://www.webofscience.com/
Metabolomic approaches reveal that phosphatidic and phosphatidyl glycerol phospholipids are major discriminatory non-polar metabolites in responses by <i>Brachypodium distachyon</i> to challenge by <i>Magnaporthe grisea</i>
Allwood, J. W., Ellis, D. I., Heald, J. K., Goodacre, R., & Mur, L. A. J. (2006). Metabolomic approaches reveal that phosphatidic and phosphatidyl glycerol phospholipids are major discriminatory non-polar metabolites in responses by <i>Brachypodium distachyon</i> to challenge by <i>Magnaporthe grisea</i>. PLANT JOURNAL, 46(3), 351-368. doi:10.1111/j.1365-313X.2006.02692.x
Matrix-suppressed laser desorption/ionisation mass spectrometry and its suitability for metabolome analyses
Vaidyanathan, S., Gaskell, S., & Goodacre, R. (2006). Matrix-suppressed laser desorption/ionisation mass spectrometry and its suitability for metabolome analyses. RAPID COMMUNICATIONS IN MASS SPECTROMETRY, 20(8), 1192-1198. doi:10.1002/rcm.2434
Metabonomic evaluation of idiosyncrasy-like liver injury in rats cotreated with ranitidine and lipopolysaccharide
Maddox, J. F., Luyendyk, J. P., Cosma, G. N., Breau, A. P., Bible, R. H., Harrigan, G. G., . . . Roth, R. A. (2006). Metabonomic evaluation of idiosyncrasy-like liver injury in rats cotreated with ranitidine and lipopolysaccharide. TOXICOLOGY AND APPLIED PHARMACOLOGY, 212(1), 35-44. doi:10.1016/j.taap.2005.06.021
Metabonomic evaluation of idiosyncrasy-like liver injury in rats cotreated with ranitidine and lipopolysaccharide.
Maddox, J. F., Luyendyk, J. P., Cosma, G. N., Breau, A. P., Bible, R. H., Harrigan, G. G., . . . Roth, R. A. (2006). Metabonomic evaluation of idiosyncrasy-like liver injury in rats cotreated with ranitidine and lipopolysaccharide.. Toxicology and applied pharmacology, 212(1), 35-44. doi:10.1016/j.taap.2005.06.021
The use of chemical profiling for monitoring metabolic changes in artificial soil slurries caused by horizontal gene transfer
Huang, W. E., Goodacre, R., Elliott, G. N., Beckmann, M., Worgan, H., Bailey, M. J., . . . Draper, J. (2005). The use of chemical profiling for monitoring metabolic changes in artificial soil slurries caused by horizontal gene transfer. METABOLOMICS, 1(4), 305-315. doi:10.1007/s11306-005-0011-1
The rapid differentiation of <i>Streptomyces</i> isolates using Fourier transform infrared spectroscopy
Zhao, H. J., Parry, R. L., Ellis, D. I., Griffith, G. W., & Goodacre, R. (2006). The rapid differentiation of <i>Streptomyces</i> isolates using Fourier transform infrared spectroscopy. VIBRATIONAL SPECTROSCOPY, 40(2), 213-218. doi:10.1016/j.vibspec.2005.09.006
Direct infusion electrospray ionization mass spectra of crude cell extracts for microbial characterizations: influence of solvent conditions on the detection of proteins
Vaidyanathan, S., O'Hagan, S., & Goodacre, R. (2006). Direct infusion electrospray ionization mass spectra of crude cell extracts for microbial characterizations: influence of solvent conditions on the detection of proteins. RAPID COMMUNICATIONS IN MASS SPECTROMETRY, 20(1), 21-30. doi:10.1002/rcm.2263
An improved fluorescent amplified fragment length polymorphism method for typing <i>Mycobacterium tuberculosis</i>
Kassama, Y., Shemko, M., Shetty, N., Fang, Z., MacIntire, G., Gant, V., . . . Goodacre, R. (2006). An improved fluorescent amplified fragment length polymorphism method for typing <i>Mycobacterium tuberculosis</i>. JOURNAL OF CLINICAL MICROBIOLOGY, 44(1), 288-289. doi:10.1128/JCM.44.1.288-289.2006
Differentiation of peats used in the preparation of malt for Scotch whisky production using Fourier transform infrared spectroscopy
Harrison, B., Ellis, J., Broadhurst, D., Reid, K., Goodacre, R., & Priest, F. G. (2006). Differentiation of peats used in the preparation of malt for Scotch whisky production using Fourier transform infrared spectroscopy. JOURNAL OF THE INSTITUTE OF BREWING, 112(4), 333-339. doi:10.1002/j.2050-0416.2006.tb00739.x
Metabolic fingerprinting in disease diagnosis: biomedical applications of infrared and Raman spectroscopy
Ellis, D. I., & Goodacre, R. (2006). Metabolic fingerprinting in disease diagnosis: biomedical applications of infrared and Raman spectroscopy. ANALYST, 131(8), 875-885. doi:10.1039/b602376m
Quantitative detection and identification methods for microbial spoilage
Ellis, D. I., & Goodacre, R. (2006). Quantitative detection and identification methods for microbial spoilage. In Food Spoilage Microorganisms (pp. 3-27). Elsevier. doi:10.1533/9781845691417.1.3
The characterisation of <i>Arabidopsis</i> secondary cell wall synthesis using microarrays and metabolic fingerprinting
Brown, D., Turner, S., Zeef, L., Ellis, J., & Goodacre, R. (2006). The characterisation of <i>Arabidopsis</i> secondary cell wall synthesis using microarrays and metabolic fingerprinting. In COMPARATIVE BIOCHEMISTRY AND PHYSIOLOGY A-MOLECULAR & INTEGRATIVE PHYSIOLOGY Vol. 143 (pp. S138-S139). Retrieved from https://www.webofscience.com/
2005
Metabolomics shows the way to new discoveries.
Goodacre, R. (2005). Metabolomics shows the way to new discoveries.. In Genome biology Vol. 6 (pp. 354). doi:10.1186/gb-2005-6-11-354
Introduction
Vaidyanathan, S., Harrigan, G. G., & Goodacre, R. (2005). Introduction. Springer US. doi:10.1007/0-387-25240-1_1
Metabolome analyses: Strategies for systems biology
Vaidyanathan, S., Harrigan, G. G., & Goodacre, R. (2005). Metabolome analyses: Strategies for systems biology. doi:10.1007/0-387-25240-1
DISCRIMINATION AND IDENTIFICATION OF MICROORGANISMS BY PYROLYSIS MASS SPECTROMETRY: FROM BURNING AMBITIONS TO COOLING EMBERS-A HISTORICAL PERSPECTIVE
Timmins, E., & Goodacre, R. (2006). DISCRIMINATION AND IDENTIFICATION OF MICROORGANISMS BY PYROLYSIS MASS SPECTROMETRY: FROM BURNING AMBITIONS TO COOLING EMBERS-A HISTORICAL PERSPECTIVE. In IDENTIFICATION OF MICROORGANISMS BY MASS SPECTROMETRY (Vol. 169, pp. 319-343). Retrieved from https://www.webofscience.com/
HIGH-THROUGHPUT MICROBIAL CHARACTERIZATIONS USING ELECTROSPRAY IONIZATION MASS SPECTROMETRY AND ITS ROLE IN FUNCTIONAL GENOMICS
Vaidyanathan, S., & Goodacre, R. (2006). HIGH-THROUGHPUT MICROBIAL CHARACTERIZATIONS USING ELECTROSPRAY IONIZATION MASS SPECTROMETRY AND ITS ROLE IN FUNCTIONAL GENOMICS. In IDENTIFICATION OF MICROORGANISMS BY MASS SPECTROMETRY (Vol. 169, pp. 229-256). Retrieved from https://www.webofscience.com/
A laser desorption ionisation mass spectrometry approach for high throughput metabolomics
Vaidyanathan, S., Jones, D., Broadhurst, D. I., Ellis, J., Jenkins, T., Dunn, W. B., . . . Goodacre, R. (2005). A laser desorption ionisation mass spectrometry approach for high throughput metabolomics. METABOLOMICS, 1(3), 243-250. doi:10.1007/s11306-005-0007-x
Metabolic fingerprinting for bio-indication of nitrogen responses in <i>Calluna vulgaris</i> heath communities
Gidman, E. A., Goodacre, R., Emmett, B., Wilson, D. B., Carroll, J. A., Caporn, S. J. M., . . . Gwynn-Jones, D. (2005). Metabolic fingerprinting for bio-indication of nitrogen responses in <i>Calluna vulgaris</i> heath communities. METABOLOMICS, 1(3), 279-285. doi:10.1007/s11306-005-0004-0
Monitoring the mode of action of antibiotics using Raman spectroscopy:: Investigating subinhibitory effects of amikacin on <i>Pseudomonas aeruginosa</i>
Lopez-Diez, E. C., Winder, C. L., Ashton, L., Currie, F., & Goodacre, R. (2005). Monitoring the mode of action of antibiotics using Raman spectroscopy:: Investigating subinhibitory effects of amikacin on <i>Pseudomonas aeruginosa</i>. ANALYTICAL CHEMISTRY, 77(9), 2901-2906. doi:10.1021/ac048147m
Genetic algorithm optimization for pre-processing and variable selection of spectroscopic data
Jarvis, R. M., & Goodacre, R. (2005). Genetic algorithm optimization for pre-processing and variable selection of spectroscopic data. BIOINFORMATICS, 21(7), 860-868. doi:10.1093/bioinformatics/bti102
A metabolome pipeline: from concept to data to knowledge
Brown, M., Dunn, W. B., Ellis, D. I., Goodacre, R., Handl, J., Knowles, J. D., . . . Kell, D. B. (2005). A metabolome pipeline: from concept to data to knowledge. METABOLOMICS, 1(1), 39-51. doi:10.1007/s11306-005-1106-4
Metabolomics - the way forward
Goodacre, R. (2005). Metabolomics - the way forward. METABOLOMICS, 1(1), 1-2. doi:10.1007/s11306-005-1111-7
Biomarker discovery using metabolomics and explanatory machine learning.
Goodacre, R. (2005). Biomarker discovery using metabolomics and explanatory machine learning.. In JOURNAL OF MEDICAL GENETICS Vol. 42 (pp. S16). Retrieved from https://www.webofscience.com/
Electrospray-ionization mass spectrometry of protein mixtures: Influence of instrumental settings and proteomic implications.
Vaidyanathan, S., Kell, D. B., & Goodacre, R. (2005). Electrospray-ionization mass spectrometry of protein mixtures: Influence of instrumental settings and proteomic implications.. In ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY Vol. 229 (pp. U185). Retrieved from https://www.webofscience.com/
Identification of novel genes in Arabidopsis involved in secondary cell wall formation using expression profiling and reverse genetics
Brown, D. M., Zeef, L. A. H., Ellis, J., Goodacre, R., & Turner, S. R. (2005). Identification of novel genes in Arabidopsis involved in secondary cell wall formation using expression profiling and reverse genetics. PLANT CELL, 17(8), 2281-2295. doi:10.1105/tpc.105.031542
Making sense of the metabolome using evolutionary computation: seeing the wood with the trees
Goodacre, R. (2005). Making sense of the metabolome using evolutionary computation: seeing the wood with the trees. In JOURNAL OF EXPERIMENTAL BOTANY Vol. 56 (pp. 245-254). doi:10.1093/jxb/eri043
Metabolomic investigations using laser desorption ionisation mass spectrometry on porous silicon
Vaidyanathan, S., Jones, D., Jenkins, T., Kell, D. B., & Goodacre, R. (2005). Metabolomic investigations using laser desorption ionisation mass spectrometry on porous silicon. In ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY Vol. 229 (pp. U245). Retrieved from https://www.webofscience.com/
Rapid identification of closely related muscle foods by vibrational spectroscopy and machine learning
Ellis, D. I., Broadhurst, D., Clarke, S. J., & Goodacre, R. (2005). Rapid identification of closely related muscle foods by vibrational spectroscopy and machine learning. ANALYST, 130(12), 1648-1654. doi:10.1039/b511484e
Rapid monitoring of antibiotics using Raman and surface enhanced Raman spectroscopy
Clarke, S. J., Littleford, R. E., Smith, W. E., & Goodacre, R. (2005). Rapid monitoring of antibiotics using Raman and surface enhanced Raman spectroscopy. ANALYST, 130(7), 1019-1026. doi:10.1039/b502540k
Understanding the behaviour of pathogenic cells: proteome and metabolome analyses
Vaidyanathan, S., & Goodacre, R. (2005). Understanding the behaviour of pathogenic cells: proteome and metabolome analyses. In Understanding Pathogen Behaviour (pp. 3-52). Elsevier. doi:10.1533/9781845690229.1.3
2004
A proposed framework for the description of plant metabolomics experiments and their results
Jenkins, H., Hardy, N., Beckmann, M., Draper, J., Smith, A. R., Taylor, J., . . . Kell, D. B. (2004). A proposed framework for the description of plant metabolomics experiments and their results. NATURE BIOTECHNOLOGY, 22(12), 1601-1606. doi:10.1038/nbt1041
Applying Metabolic Fingerprinting to Ecology: The Use of Fourier-Transform Infrared Spectroscopy for the Rapid Screening of Plant Responses to N Deposition
Gidman, E., Goodacre, R., Emmett, B., Sheppard, L. J., Leith, I. D., & Gwynn-Jones, D. (2004). Applying Metabolic Fingerprinting to Ecology: The Use of Fourier-Transform Infrared Spectroscopy for the Rapid Screening of Plant Responses to N Deposition. Water, Air, & Soil Pollution: Focus, 4(6), 251-258. doi:10.1007/s11267-004-3035-z
Differentiation of <i>Micromonospora</i> isolates from a coastal sediment in wales on the basis of Fourier transform infrared spectroscopy, 16S rRNA sequence analysis, and the amplified fragment length polymorphism technique
Zhao, H. J., Kassama, Y., Young, M., Kell, D. B., & Goodacre, R. (2004). Differentiation of <i>Micromonospora</i> isolates from a coastal sediment in wales on the basis of Fourier transform infrared spectroscopy, 16S rRNA sequence analysis, and the amplified fragment length polymorphism technique. APPLIED AND ENVIRONMENTAL MICROBIOLOGY, 70(11), 6619-6627. doi:10.1128/AEM.70.11.6619-6627.2004
A Structural and Chemical Analyser (SCA) Identification of Bacteria Labelled by Metallic Nanoparticles
Brooker, A. D., Jarvis, R. M., Goodacre, R., Bennett, R., Dawe, C. J., Leak, D. J., . . . Hill, M. R. (2004). A Structural and Chemical Analyser (SCA) Identification of Bacteria Labelled by Metallic Nanoparticles. In Microscopy and Microanalysis Vol. 10 (pp. 932-933). Oxford University Press (OUP). doi:10.1017/s1431927604882886
Enhancing Raman Spectroscopy for the Rapid Characterisation of Microorganisms
Goodacre, R., López-Díez, E. C., & Jarvis, R. M. (2004). Enhancing Raman Spectroscopy for the Rapid Characterisation of Microorganisms. In Microscopy and Microanalysis Vol. 10 (pp. 1310-1311). Oxford University Press (OUP). doi:10.1017/s1431927604883946
Selective detection of proteins in mixtures using electrospray ionization mass spectrometry: Influence of instrumental settings and implications for proteomics
Vaidyanathan, S., Kell, D. B., & Goodacre, R. (2004). Selective detection of proteins in mixtures using electrospray ionization mass spectrometry: Influence of instrumental settings and implications for proteomics. ANALYTICAL CHEMISTRY, 76(17), 5024-5032. doi:10.1021/ac049684+
Selective detection of proteins in mixtures using electrospray ionization mass spectrometry: influence of instrumental settings and implications for proteomics.
Vaidyanathan, S., Kell, D. B., & Goodacre, R. (2004). Selective detection of proteins in mixtures using electrospray ionization mass spectrometry: influence of instrumental settings and implications for proteomics.. Analytical chemistry, 76(17), 5024-5032. doi:10.1021/ac049684+
Surface-enhanced Raman spectroscopy for bacterial discrimination utilizing a scanning electron microscope with a Raman spectroscopy interface
Jarvis, R. M., Brooker, A., & Goodacre, R. (2004). Surface-enhanced Raman spectroscopy for bacterial discrimination utilizing a scanning electron microscope with a Raman spectroscopy interface. ANALYTICAL CHEMISTRY, 76(17), 5198-5202. doi:10.1021/ac049663f
Rapid and quantitative detection of the microbial spoilage of beef by Fourier transform infrared spectroscopy and machine learning
Ellis, D. I., Broadhurst, D., & Goodacre, R. (2004). Rapid and quantitative detection of the microbial spoilage of beef by Fourier transform infrared spectroscopy and machine learning. ANALYTICA CHIMICA ACTA, 514(2), 193-201. doi:10.1016/j.aca.2004.03.060
Metabolomics by numbers: acquiring and understanding global metabolite data
Goodacre, R., Vaidyanathan, S., Dunn, W. B., Harrigan, G. G., & Kell, D. B. (2004). Metabolomics by numbers: acquiring and understanding global metabolite data. TRENDS IN BIOTECHNOLOGY, 22(5), 245-252. doi:10.1016/j.tibtech.2004.03.007
Ultra-violet resonance Raman spectroscopy for the rapid discrimination of urinary tract infection bacteria
Jarvis, R. M., & Goodacre, R. (2004). Ultra-violet resonance Raman spectroscopy for the rapid discrimination of urinary tract infection bacteria. FEMS MICROBIOLOGY LETTERS, 232(2), 127-132. doi:10.1016/S0378-1097(04)00040-0
Metabolic profiling: pathways in discovery.
Goodacre, R. (2004). Metabolic profiling: pathways in discovery.. Drug discovery today, 9(6), 260-261. doi:10.1016/s1359-6446(04)03027-2
Application of high-throughput Fourier-transform infrared spectroscopy in toxicology studies: contribution to a study on the development of an animal model for idiosyncratic toxicity
Harrigan, G. G., LaPlante, R. H., Cosma, G. N., Cockerell, G., Goodacre, R., Maddox, J. F., . . . Roth, R. A. (2004). Application of high-throughput Fourier-transform infrared spectroscopy in toxicology studies: contribution to a study on the development of an animal model for idiosyncratic toxicity. TOXICOLOGY LETTERS, 146(3), 197-205. doi:10.1016/j.toxlet.2003.09.011
Characterization of microorganisms using UV resonance Raman spectroscopy and chemometrics
López-Díez, E. C., & Goodacre, R. (2004). Characterization of microorganisms using UV resonance Raman spectroscopy and chemometrics. ANALYTICAL CHEMISTRY, 76(3), 585-591. doi:10.1021/ac035110d
Comparison of diffuse-reflectance absorbance and attenuated total reflectance FT-IR for the discrimination of bacteria
Winder, C. L., & Goodacre, R. (2004). Comparison of diffuse-reflectance absorbance and attenuated total reflectance FT-IR for the discrimination of bacteria. ANALYST, 129(11), 1118-1122. doi:10.1039/b408169b
Discrimination of bacteria using surface-enhanced Raman spectroscopy
Jarvis, R. M., & Goodacre, R. (2004). Discrimination of bacteria using surface-enhanced Raman spectroscopy. ANALYTICAL CHEMISTRY, 76(1), 40-47. doi:10.1021/ac034689c
The rapid identification of <i>Acinetobacter</i> species using Fourier transform infrared spectroscopy
Winder, C. L., Carr, E., Goodacre, R., & Seviour, R. (2004). The rapid identification of <i>Acinetobacter</i> species using Fourier transform infrared spectroscopy. JOURNAL OF APPLIED MICROBIOLOGY, 96(2), 328-339. doi:10.1046/j.1365-2672.2003.02154.x
Whole-organism fingerprinting of the genus <i>Carnobacterium</i> using Fourier transform infrared spectroscopy (FT-IR)
Lai, S., Goodacre, R., & Manchester, L. N. (2004). Whole-organism fingerprinting of the genus <i>Carnobacterium</i> using Fourier transform infrared spectroscopy (FT-IR). SYSTEMATIC AND APPLIED MICROBIOLOGY, 27(2), 186-191. doi:10.1078/072320204322881808
2003
Explanatory optimization of protein mass spectrometry via genetic search
Vaidyanathan, S., Broadhurst, D. I., Kell, D. B., & Goodacre, R. (2003). Explanatory optimization of protein mass spectrometry via genetic search. ANALYTICAL CHEMISTRY, 75(23), 6679-6686. doi:10.1021/ac034669a
Rapid quantitative assessment of the adulteration of virgin olive oils with hazelnut oils using Raman spectroscopy and chemometrics
López-Díez, E. C., Bianchi, G., & Goodacre, R. (2003). Rapid quantitative assessment of the adulteration of virgin olive oils with hazelnut oils using Raman spectroscopy and chemometrics. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, 51(21), 6145-6150. doi:10.1021/jf034493d
Explanatory analysis of spectroscopic data using machine learning of simple, interpretable rules
Goodacre, R. (2003). Explanatory analysis of spectroscopic data using machine learning of simple, interpretable rules. In VIBRATIONAL SPECTROSCOPY Vol. 32 (pp. 33-45). doi:10.1016/S0924-2031(03)00045-6
Functional genomics via metabolic footprinting:: monitoring metabolite secretion by <i>Escherichia coli</i> tryptophan metabolism mutants using FT-IR and direct injection electrospray mass spectrometry
Kaderbhai, N. N., Broadhurst, D. I., Ellis, D. I., Goodacre, R., & Kell, D. B. (2003). Functional genomics via metabolic footprinting:: monitoring metabolite secretion by <i>Escherichia coli</i> tryptophan metabolism mutants using FT-IR and direct injection electrospray mass spectrometry. COMPARATIVE AND FUNCTIONAL GENOMICS, 4(4), 376-391. doi:10.1002/cfg.302
Investigating plant-plant interference by metabolic fingerprinting
Gidman, E., Goodacre, R., Emmett, B., Smith, A. R., & Gwynn-Jones, D. (2003). Investigating plant-plant interference by metabolic fingerprinting. PHYTOCHEMISTRY, 63(6), 705-710. doi:10.1016/S0031-9422(03)00288-7
Chemometric discrimination of unfractionated plant extracts analyzed by electrospray mass spectrometry
Goodacre, R., York, E. V., Heald, J. K., & Scott, I. M. (2003). Chemometric discrimination of unfractionated plant extracts analyzed by electrospray mass spectrometry. PHYTOCHEMISTRY, 62(6), 859-863. doi:10.1016/S0031-9422(02)00718-5
Food quality and microbial succession in ageing earthworm casts: standard microbial indices and metabolic fingerprinting
Scullion, J., Goodacre, R., Elliott, G., Wei, H., Worgan, H., Gwynn-Jones, D., . . . Draper, J. (2003). Food quality and microbial succession in ageing earthworm casts: standard microbial indices and metabolic fingerprinting. In PEDOBIOLOGIA Vol. 47 (pp. 888-894). doi:10.1078/0031-4056-00276
Metabolic fingerprinting of salt-stressed tomatoes
Johnson, H. E., Broadhurst, D., Goodacre, R., & Smith, A. R. (2003). Metabolic fingerprinting of salt-stressed tomatoes. PHYTOCHEMISTRY, 62(6), 919-928. doi:10.1016/S0031-9422(02)00722-7
Metabolite and protein profiling of whole cells using soft-ionization mass spectrometry for rapid microbial characterization.
Vaidyanathan, S., & Goodacre, R. (2003). Metabolite and protein profiling of whole cells using soft-ionization mass spectrometry for rapid microbial characterization.. In ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY Vol. 225 (pp. U199). Retrieved from https://www.webofscience.com/
Proteome and metabolome analyses for food authentication
Vaidyanathan, S., & Goodacre, R. (2003). Proteome and metabolome analyses for food authentication. In Food Authenticity and Traceability (pp. 71-100). doi:10.1533/9781855737181.1.71
UV-B radiation induced changes in litter quality affects earthworm growth and cast characteristics as determined by metabolic fingerprinting
Gwynn-Jones, D., Huang, W., Easton, G., Goodacre, R., & Scullion, J. (2003). UV-B radiation induced changes in litter quality affects earthworm growth and cast characteristics as determined by metabolic fingerprinting. In PEDOBIOLOGIA Vol. 47 (pp. 784-787). doi:10.1016/S0031-4056(04)70267-X
Use of earthworm casts to validate FT-IR spectroscopy as a 'sentinel' technology for high-throughput monitoring of global changes in microbial ecology
Scullion, J., Elliott, G. N., Huang, W. E., Goodacre, R., Worgan, H., Darby, R., . . . Draper, J. (2003). Use of earthworm casts to validate FT-IR spectroscopy as a 'sentinel' technology for high-throughput monitoring of global changes in microbial ecology. In PEDOBIOLOGIA Vol. 47 (pp. 440-446). doi:10.1078/0031-4056-00210
2002
Metabolic profiling using direct infusion electrospray ionisation mass spectrometry for the characterisation of olive oils
Goodacre, R., Vaidyanathan, S., Bianchi, G., & Kell, D. B. (2002). Metabolic profiling using direct infusion electrospray ionisation mass spectrometry for the characterisation of olive oils. ANALYST, 127(11), 1457-1462. doi:10.1039/b206037j
Fingerprint spectrometry methods in <i>Bacillus</i> systematics
Magee, J. T., & Goodacre, R. (2002). Fingerprint spectrometry methods in <i>Bacillus</i> systematics. In Unknown Book (pp. 254-270). doi:10.1002/9780470696743.ch17
Fluorescent amplified fragment length polymorphism probabilistic database for identification of bacterial isolates from urinary tract infections
Kassama, Y., Rooney, P. J., & Goodacre, R. (2002). Fluorescent amplified fragment length polymorphism probabilistic database for identification of bacterial isolates from urinary tract infections. JOURNAL OF CLINICAL MICROBIOLOGY, 40(8), 2795-2800. doi:10.1128/JCM.40.8.2795-2800.2002
Sample preparation in matrix-assisted laser desorption ionization mass spectrometry of whole bacterial cells and the detection of high mass (>20 kDa) proteins
Vaidyanathan, S., Winder, C. L., Wade, S. C., Kell, D. B., & Goodacre, R. (2002). Sample preparation in matrix-assisted laser desorption ionization mass spectrometry of whole bacterial cells and the detection of high mass (>20 kDa) proteins. RAPID COMMUNICATIONS IN MASS SPECTROMETRY, 16(13), 1276-1286. doi:10.1002/rcm.713
Rapid and quantitative detection of the microbial spoilage of meat by Fourier transform infrared spectroscopy and machine learning
Ellis, D. I., Broadhurst, D., Kell, D. B., Rowland, J. J., & Goodacre, R. (2002). Rapid and quantitative detection of the microbial spoilage of meat by Fourier transform infrared spectroscopy and machine learning. APPLIED AND ENVIRONMENTAL MICROBIOLOGY, 68(6), 2822-2828. doi:10.1128/AEM.68.6.2822-2828.2002
Monitoring of complex industrial bioprocesses for metabolite concentrations using modern spectroscopies and machine learning: Application to gibberellic acid production
McGovern, A. C., Broadhurst, D., Taylor, J., Kaderbhai, N., Winson, M. K., Small, D. A., . . . Goodacre, R. (2002). Monitoring of complex industrial bioprocesses for metabolite concentrations using modern spectroscopies and machine learning: Application to gibberellic acid production. BIOTECHNOLOGY AND BIOENGINEERING, 78(5), 527-538. Retrieved from https://www.webofscience.com/
Progress toward the rapid nondestructive assessment of the floral origin of European honey using dispersive Raman spectroscopy
Goodacre, R., Radovic, B. S., & Anklam, E. (2002). Progress toward the rapid nondestructive assessment of the floral origin of European honey using dispersive Raman spectroscopy. APPLIED SPECTROSCOPY, 56(4), 521-527. doi:10.1366/0003702021954980
Flow-injection electrospray ionization mass spectrometry of crude cell extracts for high-throughput bacterial identification
Vaidyanathan, S., Kell, D. B., & Goodacre, R. (2002). Flow-injection electrospray ionization mass spectrometry of crude cell extracts for high-throughput bacterial identification. JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY, 13(2), 118-128. doi:10.1016/S1044-0305(01)00339-7
Rapid, high-throughput microbial characterization by metabolite and protein profiling of whole cells using soft-ionization mass spectrometry.
Vaidyanathan, S., Kell, D. B., & Goodacre, R. (2002). Rapid, high-throughput microbial characterization by metabolite and protein profiling of whole cells using soft-ionization mass spectrometry.. In ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY Vol. 224 (pp. U199). Retrieved from https://www.webofscience.com/
2001
Degeneration of solventogenic <i>Clostridium</i> strains monitored by Fourier transform infrared spectroscopy of bacterial cells
Schuster, K. C., Goodacre, R., Gapes, J. R., & Young, M. (2001). Degeneration of solventogenic <i>Clostridium</i> strains monitored by Fourier transform infrared spectroscopy of bacterial cells. JOURNAL OF INDUSTRIAL MICROBIOLOGY & BIOTECHNOLOGY, 27(5), 314-321. doi:10.1038/sj.jim.7000146
Discrimination of aerobic endospore-forming bacteria via electrospray-ionization mass spectrometry of whole cell suspensions
Vaidyanathan, S., Rowland, J. J., Kell, D. B., & Goodacre, R. (2001). Discrimination of aerobic endospore-forming bacteria via electrospray-ionization mass spectrometry of whole cell suspensions. ANALYTICAL CHEMISTRY, 73(17), 4134-4144. doi:10.1021/ac0103524
Contribution of pyrolysis-mass spectrometry (Py-MS) to authenticity testing of honey
Radovic, B. S., Goodacre, R., & Anklam, E. (2001). Contribution of pyrolysis-mass spectrometry (Py-MS) to authenticity testing of honey. JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS, 60(1), 79-87. doi:10.1016/S0165-2370(00)00163-7
Fourier transform infrared spectroscopy and chemometrics as a tool for the rapid detection of other vegetable fats mixed in cocoa butter
Goodacre, R., & Anklam, E. (2001). Fourier transform infrared spectroscopy and chemometrics as a tool for the rapid detection of other vegetable fats mixed in cocoa butter. JOURNAL OF THE AMERICAN OIL CHEMISTS SOCIETY, 78(10), 993-1000. doi:10.1007/s11746-001-0377-x
Rapid and quantitative detection of the microbial spoilage of muscle foods: current status and future trends
Ellis, D. I., & Goodacre, R. (2001). Rapid and quantitative detection of the microbial spoilage of muscle foods: current status and future trends. TRENDS IN FOOD SCIENCE & TECHNOLOGY, 12(11), 414-+. doi:10.1016/S0924-2244(02)00019-5
2000
Fourier transform infrared spectroscopy of follicular fluids from large and small antral follicles
Thomas, N., Goodacre, R., Timmins, É., Gaudoin, M., & Fleming, R. (2000). Fourier transform infrared spectroscopy of follicular fluids from large and small antral follicles. HUMAN REPRODUCTION, 15(8), 1667-1671. doi:10.1093/humrep/15.8.1667
Detection of the dipicolinic acid biomarker in <i>Bacillus</i> spores using Curie-point pyrolysis mass spectrometry and fourier transform infrared spectroscopy
Goodacre, R., Shann, B., Gilbert, R. J., Timmins, É., McGovern, A. C., Alsberg, B. K., . . . Logan, N. A. (2000). Detection of the dipicolinic acid biomarker in <i>Bacillus</i> spores using Curie-point pyrolysis mass spectrometry and fourier transform infrared spectroscopy. ANALYTICAL CHEMISTRY, 72(1), 119-127. doi:10.1021/ac990661i
Intelligent systems for the characterization of microorganisms from hyperspectral data
Goodacre, R., Burton, R., Kaderbhai, N., Timmins, E. M., Woodward, A., Rooney, P. J., & Kell, D. B. (2000). Intelligent systems for the characterization of microorganisms from hyperspectral data. In RAPID METHODS FOR ANALYSIS OF BIOLOGICAL MATERIALS IN THE ENVIRONMENT Vol. 30 (pp. 111-136). Retrieved from https://www.webofscience.com/
Rapid analysis of high-dimensional bioprocesses using multivariate spectroscopies and advanced chemometrics.
Shaw, A. D., Winson, M. K., Woodward, A. M., McGovern, A. C., Davey, H. M., Kaderbhai, N., . . . Rowland, J. J. (2000). Rapid analysis of high-dimensional bioprocesses using multivariate spectroscopies and advanced chemometrics.. Advances in biochemical engineering/biotechnology, 66, 83-113. doi:10.1007/3-540-48773-5_3
1999
Intelligent systems for the characterisation and quantification of microbial systems from advanced analytical techniques
Goodacre, R., McGovern, A. C., Timmins, E. M., Winson, M. K., Kaderbhai, N., Broadhurst, D., . . . Kell, D. B. (1999). Intelligent systems for the characterisation and quantification of microbial systems from advanced analytical techniques. In ENVIRONMENTAL MONITORING AND REMEDIATION TECHNOLOGIES II Vol. 3853 (pp. 174-184). doi:10.1117/12.372851
Rapid analysis of the expression of heterologous proteins in <i>Escherichia coli</i> using pyrolysis mass spectrometry and Fourier transform infrared spectroscopy with chemometrics:: application to α2-interferon production
McGovern, A. C., Ernill, R., Kara, B. V., Kell, D. B., & Goodacre, R. (1999). Rapid analysis of the expression of heterologous proteins in <i>Escherichia coli</i> using pyrolysis mass spectrometry and Fourier transform infrared spectroscopy with chemometrics:: application to α2-interferon production. JOURNAL OF BIOTECHNOLOGY, 72(3), 157-167. doi:10.1016/S0168-1656(99)00128-5
Characterisation of intact microorganisms using electrospray ionisation mass spectrometry
Goodacre, R., Heald, J. K., & Kell, D. B. (1999). Characterisation of intact microorganisms using electrospray ionisation mass spectrometry. FEMS MICROBIOLOGY LETTERS, 176(1), 17-24. doi:10.1016/S0378-1097(99)00212-8
Characterisation of intact microorganisms using electrospray ionisation mass spectrometry
Goodacre, R. (1999). Characterisation of intact microorganisms using electrospray ionisation mass spectrometry. FEMS Microbiology Letters, 176(1), 17-24. doi:10.1016/s0378-1097(99)00212-8
Fourier transform infra-red (FT-IR) spectroscopy of follicular fluids from antral follicles
Thomas, N., Goodacre, R., Timmins, E. M., Mitchell, P., Jamieson, M., Yates, R., & Fleming, R. (1999). Fourier transform infra-red (FT-IR) spectroscopy of follicular fluids from antral follicles. In HUMAN REPRODUCTION Vol. 14 (pp. 173-174). doi:10.1093/humrep/14.Suppl_3.173-b
Chemometric analyses with self organising feature maps: a worked example of the analysis of cosmetics using Raman spectroscopy.
Goodacre, R., Kaderbhai, N., McGovern, A. C., & Goodacre, E. A. (1999). Chemometric analyses with self organising feature maps: a worked example of the analysis of cosmetics using Raman spectroscopy.. In KOHONEN MAPS (pp. 335-347). doi:10.1016/B978-044450270-4/50027-9
Noninvasive, on-line monitoring of the biotransformation by yeast of glucose to ethanol using dispersive Raman spectroscopy and chemometrics
Shaw, A. D., Kaderbhai, N., Jones, A., Woodward, A. M., Goodacre, R., Rowland, J. J., & Kell, D. B. (1999). Noninvasive, on-line monitoring of the biotransformation by yeast of glucose to ethanol using dispersive Raman spectroscopy and chemometrics. APPLIED SPECTROSCOPY, 53(11), 1419-1428. doi:10.1366/0003702991945777
The detection of caffeine in a variety of beverages using Curie-point pyrolysis mass spectrometry and genetic programming
Goodacre, R., & Gilbert, R. J. (1999). The detection of caffeine in a variety of beverages using Curie-point pyrolysis mass spectrometry and genetic programming. ANALYST, 124(7), 1069-1074. doi:10.1039/a901062i
1998
A DRASTIC (Diffuse Reflectance Absorbance Spectroscopy Taking In Chemometrics) approach for the rapid analysis of microbial fermentation products: Quantification of aristeromycin and neplanocin A in Streptomyces citricolor broths.
Winson, M. K., Todd, M., Rudd, B. A. M., Jones, A., Alsberg, B. K., Woodward, A. M., . . . Kell, D. B. (1998). A DRASTIC (Diffuse Reflectance Absorbance Spectroscopy Taking In Chemometrics) approach for the rapid analysis of microbial fermentation products: Quantification of aristeromycin and neplanocin A in Streptomyces citricolor broths.. In NEW FRONTIERS IN SCREENING FOR MICROBIAL BIOCATALYSTS Vol. 53 (pp. 185-191). Retrieved from https://www.webofscience.com/
DRASTIC (Diffuse Reflectance Absorbance Spectroscopy Taking In Chemometrics). A novel, rapid, hyperspectral, FT-IR-based approach to screening for biocatalytic activity and metabolite overproduction
Kell, D. B., Winson, M. K., Goodacre, R., Woodward, A. M., Alsberg, B. K., Jones, A., . . . Rowland, J. J. (1998). DRASTIC (Diffuse Reflectance Absorbance Spectroscopy Taking In Chemometrics). A novel, rapid, hyperspectral, FT-IR-based approach to screening for biocatalytic activity and metabolite overproduction. NEW FRONTIERS IN SCREENING FOR MICROBIAL BIOCATALYSTS, 53, 61-75. Retrieved from https://www.webofscience.com/
Rheological phenomena occurring during the shearing flow of mayonnaise
Goshawk, J. A., Binding, D. M., Kell, D. B., & Goodacre, R. (1998). Rheological phenomena occurring during the shearing flow of mayonnaise. JOURNAL OF RHEOLOGY, 42(6), 1537-1553. doi:10.1122/1.550967
Variable selection in discriminant partial least-squares analysis
Alsberg, B. K., Kell, D. B., & Goodacre, R. (1998). Variable selection in discriminant partial least-squares analysis. ANALYTICAL CHEMISTRY, 70(19), 4126-4133. doi:10.1021/ac980506o
Differentiation of brewing yeast strains by pyrolysis mass spectrometry and Fourier transform infrared spectroscopy
Timmins, E. M., Quain, D. E., & Goodacre, R. (1998). Differentiation of brewing yeast strains by pyrolysis mass spectrometry and Fourier transform infrared spectroscopy. YEAST, 14(10), 885-893. doi:3.0.CO;2-G">10.1002/(SICI)1097-0061(199807)14:10<885::AID-YEA286>3.0.CO;2-G
Rapid identification of urinary tract infection bacteria using hyperspectral whole-organism fingerprinting and artificial neural networks
Goodacre, R., Timmins, É., Burton, R., Kaderbhai, N., Woodward, A. M., Kell, D. B., & Rooney, P. J. (1998). Rapid identification of urinary tract infection bacteria using hyperspectral whole-organism fingerprinting and artificial neural networks. MICROBIOLOGY-SGM, 144, 1157-1170. doi:10.1099/00221287-144-5-1157
Rapid analysis of microbial systems using vibrational spectroscopy and supervised learning methods: application to the discrimination between methicillin-resistant and methicillin-susceptible Staphylococcus aureus.
Goodacre, R., Rooney, P. J., & Kell, D. B. (1998). Rapid analysis of microbial systems using vibrational spectroscopy and supervised learning methods: application to the discrimination between methicillin-resistant and methicillin-susceptible Staphylococcus aureus.. In INFRARED SPECTROSCOPY: NEW TOOL IN MEDICINE, PROCEEDINGS OF Vol. 3257 (pp. 220-229). doi:10.1117/12.306087
The deconvolution of pyrolysis mass spectra using genetic programming: application to the identification of some Eubacterium species
Taylor, J. (1998). The deconvolution of pyrolysis mass spectra using genetic programming: application to the identification of some Eubacterium species. FEMS Microbiology Letters, 160(2), 237-246. doi:10.1016/s0378-1097(98)00038-x
The deconvolution of pyrolysis mass spectra using genetic programming:: application to the identification of some <i>Eubacterium</i> species
Taylor, J., Goodacre, R., Wade, W. G., Rowland, J. J., & Kell, D. B. (1998). The deconvolution of pyrolysis mass spectra using genetic programming:: application to the identification of some <i>Eubacterium</i> species. FEMS MICROBIOLOGY LETTERS, 160(2), 237-246. doi:10.1016/S0378-1097(98)00038-X
Chemometric analysis of diffuse reflectance-absorbance Fourier transform infrared spectra using rule induction methods: Application to the classification of Eubacterium species
Alsberg, B. K., Wade, W. G., & Goodacre, R. (1998). Chemometric analysis of diffuse reflectance-absorbance Fourier transform infrared spectra using rule induction methods: Application to the classification of Eubacterium species. APPLIED SPECTROSCOPY, 52(6), 823-832. doi:10.1366/0003702981944562
Discrimination between methicillin-resistant and methicillin-susceptible <i>Staphylococcus aureus</i> using pyrolysis mass spectrometry and artificial neural networks
Goodacre, R., Rooney, P. J., & Kell, D. B. (1998). Discrimination between methicillin-resistant and methicillin-susceptible <i>Staphylococcus aureus</i> using pyrolysis mass spectrometry and artificial neural networks. JOURNAL OF ANTIMICROBIAL CHEMOTHERAPY, 41(1), 27-34. doi:10.1093/jac/41.1.27
Rapid differentiation of closely related <i>Candida</i> species and strains by pyrolysis mass spectrometry and Fourier transform-infrared spectroscopy
Timmins, E. M., Howell, S. A., Alsberg, B. K., Noble, W. C., & Goodacre, R. (1998). Rapid differentiation of closely related <i>Candida</i> species and strains by pyrolysis mass spectrometry and Fourier transform-infrared spectroscopy. JOURNAL OF CLINICAL MICROBIOLOGY, 36(2), 367-374. doi:10.1128/JCM.36.2.367-374.1998
1997
Genetic programming: A novel method for the quantitative analysis of pyrolysis mass spectral data
Gilbert, R. J., Goodacre, R., Woodward, A. M., & Kell, D. B. (1997). Genetic programming: A novel method for the quantitative analysis of pyrolysis mass spectral data. ANALYTICAL CHEMISTRY, 69(21), 4381-4389. doi:10.1021/ac970460j
Classification of pyrolysis mass spectra by fuzzy multivariate rule induction-comparison with regression, K-nearest neighbour, neural and decision-tree methods
Alsberg, B. K., Goodacre, R., Rowland, J. J., & Kell, D. B. (1997). Classification of pyrolysis mass spectra by fuzzy multivariate rule induction-comparison with regression, K-nearest neighbour, neural and decision-tree methods. In ANALYTICA CHIMICA ACTA Vol. 348 (pp. 389-407). doi:10.1016/S0003-2670(97)00064-0
Diffuse reflectance absorbance spectroscopy taking in chemometrics (DRASTIC). A hyperspectral FT-IR-based approach to rapid screening for metabolite overproduction
Winson, M. K., Goodacre, R., Timmins, E. M., Jones, A., Alsberg, B. K., Woodward, A. M., . . . Kell, D. B. (1997). Diffuse reflectance absorbance spectroscopy taking in chemometrics (DRASTIC). A hyperspectral FT-IR-based approach to rapid screening for metabolite overproduction. In ANALYTICA CHIMICA ACTA Vol. 348 (pp. 273-282). doi:10.1016/S0003-2670(97)00237-7
Genetic algorithms as a method for variable selection in multiple linear regression and partial least squares regression, with applications to pyrolysis mass spectrometry
Broadhurst, D., Goodacre, R., Jones, A., Rowland, J. J., & Kell, D. B. (1997). Genetic algorithms as a method for variable selection in multiple linear regression and partial least squares regression, with applications to pyrolysis mass spectrometry. In ANALYTICA CHIMICA ACTA Vol. 348 (pp. 71-86). doi:10.1016/S0003-2670(97)00065-2
On mass spectrometer instrument standardization and interlaboratory calibration transfer using neural networks
Goodacre, R., Timmins, E. M., Jones, A., Kell, D. B., Maddock, J., Heginbothom, M. L., & Magee, J. T. (1997). On mass spectrometer instrument standardization and interlaboratory calibration transfer using neural networks. In ANALYTICA CHIMICA ACTA Vol. 348 (pp. 511-532). doi:10.1016/S0003-2670(97)00062-7
An epidemiological study of Staphylococcus intermedius strains isolated from dogs, their owners and veterinary surgeons
Goodacre, R., Harvey, R., Howell, S. A., Greenham, L. W., & Noble, W. C. (1997). An epidemiological study of Staphylococcus intermedius strains isolated from dogs, their owners and veterinary surgeons. JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS, 44(1), 49-64. doi:10.1016/S0165-2370(97)00076-4
Determination of the geographical origin of Italian extra virgin olive oil using pyrolysis mass spectrometry and artificial neural networks
Salter, G. J., Lazzari, M., Giansante, L., Goodacre, R., Jones, A., Surricchio, G., . . . Bianchi, G. (1997). Determination of the geographical origin of Italian extra virgin olive oil using pyrolysis mass spectrometry and artificial neural networks. JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS, 40-1, 159-170. doi:10.1016/S0165-2370(96)00975-8
Quantitative analysis of the adulteration of orange juice with sucrose using pyrolysis mass spectrometry and chemometrics
Goodacre, R., Hammond, D., & Kell, D. B. (1997). Quantitative analysis of the adulteration of orange juice with sucrose using pyrolysis mass spectrometry and chemometrics. In JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS Vol. 40-1 (pp. 135-158). doi:10.1016/S0165-2370(96)00973-4
Rapid quantitative analysis of binary mixtures of Escherichia coli strains using pyrolysis mass spectrometry with multivariate calibration and artificial neural networks
Timmins, E. M., & Goodacre, R. (1997). Rapid quantitative analysis of binary mixtures of Escherichia coli strains using pyrolysis mass spectrometry with multivariate calibration and artificial neural networks. JOURNAL OF APPLIED MICROBIOLOGY, 83(2), 208-218. doi:10.1046/j.1365-2672.1997.00218.x
Use of pyrolysis mass spectrometry with supervised learning for the assessment of the adulteration of milk of different species
Goodacre, R. (1997). Use of pyrolysis mass spectrometry with supervised learning for the assessment of the adulteration of milk of different species. APPLIED SPECTROSCOPY, 51(8), 1144-1153. doi:10.1366/0003702971941665
1996
Rapid identification of Streptococcus and Enterococcus species using diffuse reflectance-absorbance Fourier transform infrared spectroscopy and artificial neural networks
Goodacre, R. (1996). Rapid identification of Streptococcus and Enterococcus species using diffuse reflectance-absorbance Fourier transform infrared spectroscopy and artificial neural networks. FEMS Microbiology Letters, 140(2-3), 233-239. doi:10.1016/0378-1097(96)00186-3
Rapid identification of Streptococcus and Enterococcus species using diffuse reflectance-absorbance Fourier transform infrared spectroscopy and artificial neural networks.
Goodacre, R., Timmins, E. M., Rooney, P. J., Rowland, J. J., & Kell, D. B. (1996). Rapid identification of Streptococcus and Enterococcus species using diffuse reflectance-absorbance Fourier transform infrared spectroscopy and artificial neural networks.. FEMS microbiology letters, 140(2-3), 233-239. doi:10.1016/0378-1097(96)00186-3
Identification and discrimination of oral asaccharolytic Eubacterium spp by pyrolysis mass spectrometry and artificial neural networks
Goodacre, R., Hiom, S. J., Cheeseman, S. L., Murdoch, D., Weightman, A. J., & Wade, W. G. (1996). Identification and discrimination of oral asaccharolytic Eubacterium spp by pyrolysis mass spectrometry and artificial neural networks. CURRENT MICROBIOLOGY, 32(2), 77-84. doi:10.1007/s002849900014
Pyrolysis mass spectrometry and its applications in biotechnology
Goodacre, R., & Kell, D. B. (1996). Pyrolysis mass spectrometry and its applications in biotechnology. CURRENT OPINION IN BIOTECHNOLOGY, 7(1), 20-28. doi:10.1016/S0958-1669(96)80090-5
Correction of mass spectral drift using artificial neural networks
Goodacre, R., & Kell, D. B. (1996). Correction of mass spectral drift using artificial neural networks. ANALYTICAL CHEMISTRY, 68(2), 271-280. doi:10.1021/ac950671t
Plant seed classification using pyrolysis mass spectrometry with unsupervised learning: The application of auto-associative and Kohonen artificial neural networks
Goodacre, R., Pygall, J., & Kell, D. B. (1996). Plant seed classification using pyrolysis mass spectrometry with unsupervised learning: The application of auto-associative and Kohonen artificial neural networks. CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 34(1), 69-83. doi:10.1016/0169-7439(96)00021-4
Quantitative analysis of multivariate data using artificial neural networks: A tutorial review and applications to the deconvolution of pyrolysis mass spectra
Goodacre, R., Neal, M. J., & Kell, D. B. (1996). Quantitative analysis of multivariate data using artificial neural networks: A tutorial review and applications to the deconvolution of pyrolysis mass spectra. ZENTRALBLATT FUR BAKTERIOLOGIE-INTERNATIONAL JOURNAL OF MEDICAL MICROBIOLOGY VIROLOGY PARASITOLOGY AND INFECTIOUS DISEASES, 284(4), 516-539. doi:10.1016/S0934-8840(96)80004-1
Rapid authentication of animal cell lines using pyrolysis mass spectrometry and auto-associative artificial neural networks
Goodacre, R., Rischert, D. J., Evans, P. M., & Kell, D. B. (1996). Rapid authentication of animal cell lines using pyrolysis mass spectrometry and auto-associative artificial neural networks. CYTOTECHNOLOGY, 21(3), 231-241. doi:10.1007/BF00365346
Rapid identification of Streptococcus and Enterococcus species using diffuse reflectance-absorbance Fourier transform infrared spectroscopy and artificial neural networks
Goodacre, R., Timmins, E. M., Rooney, P. J., Rowland, J. J., & Kell, D. B. (1996). Rapid identification of Streptococcus and Enterococcus species using diffuse reflectance-absorbance Fourier transform infrared spectroscopy and artificial neural networks. FEMS MICROBIOLOGY LETTERS, 140(2-3), 233-239. doi:10.1111/j.1574-6968.1996.tb08342.x
Sub-species discrimination, using pyrolysis mass spectrometry and self-organising neural networks, of Propionibacterium acnes isolated from normal human skin
Goodacre, R., Howell, S. A., Noble, W. C., & Neal, M. J. (1996). Sub-species discrimination, using pyrolysis mass spectrometry and self-organising neural networks, of Propionibacterium acnes isolated from normal human skin. ZENTRALBLATT FUR BAKTERIOLOGIE-INTERNATIONAL JOURNAL OF MEDICAL MICROBIOLOGY VIROLOGY PARASITOLOGY AND INFECTIOUS DISEASES, 284(4), 501-515. doi:10.1016/S0934-8840(96)80003-X
1995
RAPID AND QUANTITATIVE-ANALYSIS OF METABOLITES IN FERMENTER BROTHS USING PYROLYSIS MASS-SPECTROMETRY WITH SUPERVISED LEARNING - APPLICATION TO THE SCREENING OF PENICILLIUM-CHRYSOGENUM FERMENTATIONS FOR THE OVERPRODUCTION OF PENICILLINS
GOODACRE, R., TREW, S., WRIGLEYJONES, C., SAUNDERS, G., NEAL, M. J., PORTER, N., & KELL, D. B. (1995). RAPID AND QUANTITATIVE-ANALYSIS OF METABOLITES IN FERMENTER BROTHS USING PYROLYSIS MASS-SPECTROMETRY WITH SUPERVISED LEARNING - APPLICATION TO THE SCREENING OF PENICILLIUM-CHRYSOGENUM FERMENTATIONS FOR THE OVERPRODUCTION OF PENICILLINS. ANALYTICA CHIMICA ACTA, 313(1-2), 25-43. doi:10.1016/0003-2670(95)00170-5
PHENOTYPIC AND GENOTYPIC DIFFERENCES BETWEEN CERTAIN STRAINS OF CLOSTRIDIUM-ACETOBUTYLICUM
WILKINSON, S. R., YOUNG, M., GOODACRE, R., MORRIS, J. G., FARROW, J. A. E., & COLLINS, M. D. (1995). PHENOTYPIC AND GENOTYPIC DIFFERENCES BETWEEN CERTAIN STRAINS OF CLOSTRIDIUM-ACETOBUTYLICUM. FEMS MICROBIOLOGY LETTERS, 125(2-3), 199-204. Retrieved from https://www.webofscience.com/
Phenotypic and genotypic differences between certain strains of Clostridium acetobutylicum
Wilkinson, S. (1995). Phenotypic and genotypic differences between certain strains of Clostridium acetobutylicum. FEMS Microbiology Letters, 125(2-3), 199-204. doi:10.1016/0378-1097(94)00498-g
CHARACTERIZATION OF CARNOBACTERIUM SPECIES BY PYROLYSIS MASS-SPECTROMETRY
MANCHESTER, L. N., TOOLE, A., & GOODACRE, R. (1995). CHARACTERIZATION OF CARNOBACTERIUM SPECIES BY PYROLYSIS MASS-SPECTROMETRY. JOURNAL OF APPLIED BACTERIOLOGY, 78(1), 88-96. doi:10.1111/j.1365-2672.1995.tb01678.x
IDENTIFICATION OF ORAL EUBACTERIUM SPP BY PYROLYSIS MASS-SPECTROMETRY
NEAL, M. J., GOODACRE, R., HIOM, S., WEIGHTMAN, A. J., & WADE, W. G. (1995). IDENTIFICATION OF ORAL EUBACTERIUM SPP BY PYROLYSIS MASS-SPECTROMETRY. In JOURNAL OF DENTAL RESEARCH Vol. 74 (pp. 886). Retrieved from https://www.webofscience.com/
1994
RAPID SCREENING FOR METABOLITE OVERPRODUCTION IN FERMENTOR BROTHS, USING PYROLYSIS MASS-SPECTROMETRY WITH MULTIVARIATE CALIBRATION AND ARTIFICIAL NEURAL NETWORKS
GOODACRE, R., TREW, S., WRIGLEYJONES, C., NEAL, M. J., MADDOCK, J., OTTLEY, T. W., . . . KELL, D. B. (1994). RAPID SCREENING FOR METABOLITE OVERPRODUCTION IN FERMENTOR BROTHS, USING PYROLYSIS MASS-SPECTROMETRY WITH MULTIVARIATE CALIBRATION AND ARTIFICIAL NEURAL NETWORKS. BIOTECHNOLOGY AND BIOENGINEERING, 44(10), 1205-1216. doi:10.1002/bit.260441008
THE IDENTIFICATION OF BRADYRHIZOBIUM-JAPONICUM STRAINS ISOLATED FROM ITALIAN SOILS
KAY, H. E., COUTINHO, H. L. C., FATTORI, M., MANFIO, G. P., GOODACRE, R., NUTI, M. P., . . . BERINGER, J. E. (1994). THE IDENTIFICATION OF BRADYRHIZOBIUM-JAPONICUM STRAINS ISOLATED FROM ITALIAN SOILS. MICROBIOLOGY-UK, 140, 2333-2339. doi:10.1099/13500872-140-9-2333
RAPID AND QUANTITATIVE-ANALYSIS OF RECOMBINANT PROTEIN EXPRESSION USING PYROLYSIS MASS-SPECTROMETRY AND ARTIFICIAL NEURAL NETWORKS - APPLICATION TO MAMMALIAN CYTOCHROME B(5) IN ESCHERICHIA-COLI
GOODACRE, R., KARIM, A., KADERBHAI, M. A., & KELL, D. B. (1994). RAPID AND QUANTITATIVE-ANALYSIS OF RECOMBINANT PROTEIN EXPRESSION USING PYROLYSIS MASS-SPECTROMETRY AND ARTIFICIAL NEURAL NETWORKS - APPLICATION TO MAMMALIAN CYTOCHROME B(5) IN ESCHERICHIA-COLI. JOURNAL OF BIOTECHNOLOGY, 34(2), 185-193. doi:10.1016/0168-1656(94)90088-4
RAPID AND QUANTITATIVE-ANALYSIS OF THE PYROLYSIS MASS-SPECTRA OF COMPLEX BINARY AND TERTIARY MIXTURES USING MULTIVARIATE CALIBRATION AND ARTIFICIAL NEURAL NETWORKS
GOODACRE, R., NEAL, M. J., & KELL, D. B. (1994). RAPID AND QUANTITATIVE-ANALYSIS OF THE PYROLYSIS MASS-SPECTRA OF COMPLEX BINARY AND TERTIARY MIXTURES USING MULTIVARIATE CALIBRATION AND ARTIFICIAL NEURAL NETWORKS. ANALYTICAL CHEMISTRY, 66(7), 1070-1085. doi:10.1021/ac00079a024
RAPID IDENTIFICATION OF SPECIES WITHIN THE MYCOBACTERIUM-TUBERCULOSIS COMPLEX BY ARTIFICIAL NEURAL-NETWORK ANALYSIS OF PYROLYSIS MASS-SPECTRA
FREEMAN, R., GOODACRE, R., SISSON, P. R., MAGEE, J. G., WARD, A. C., & LIGHTFOOT, N. F. (1994). RAPID IDENTIFICATION OF SPECIES WITHIN THE MYCOBACTERIUM-TUBERCULOSIS COMPLEX BY ARTIFICIAL NEURAL-NETWORK ANALYSIS OF PYROLYSIS MASS-SPECTRA. JOURNAL OF MEDICAL MICROBIOLOGY, 40(3), 170-173. doi:10.1099/00222615-40-3-170
ON THE ANALYSIS OF PYROLYSIS MASS-SPECTRA USING ARTIFICIAL NEURAL NETWORKS - INDIVIDUAL INPUT SCALING LEADS TO RAPID LEARNING
NEAL, M. J., GOODACRE, R., & KELL, D. B. (1994). ON THE ANALYSIS OF PYROLYSIS MASS-SPECTRA USING ARTIFICIAL NEURAL NETWORKS - INDIVIDUAL INPUT SCALING LEADS TO RAPID LEARNING. In WORLD CONGRESS ON NEURAL NETWORKS-SAN DIEGO - 1994 INTERNATIONAL NEURAL NETWORK SOCIETY ANNUAL MEETING, VOL 1 (pp. A318-A323). Retrieved from https://www.webofscience.com/
RAPID IDENTIFICATION USING PYROLYSIS MASS-SPECTROMETRY AND ARTIFICIAL NEURAL NETWORKS OF PROPIONIBACTERIUM-ACNES ISOLATED FROM DOGS
GOODACRE, R., NEAL, M. J., KELL, D. B., GREENHAM, L. W., NOBLE, W. C., & HARVEY, R. G. (1994). RAPID IDENTIFICATION USING PYROLYSIS MASS-SPECTROMETRY AND ARTIFICIAL NEURAL NETWORKS OF PROPIONIBACTERIUM-ACNES ISOLATED FROM DOGS. JOURNAL OF APPLIED BACTERIOLOGY, 76(2), 124-134. doi:10.1111/j.1365-2672.1994.tb01607.x
THE DOGS THAT DID NOT BARK
KELL, D. B., GOODACRE, R., & NEAL, M. J. (1994). THE DOGS THAT DID NOT BARK. TRENDS IN BIOTECHNOLOGY, 12(11), 434-435. doi:10.1016/0167-7799(94)90016-7
1993
RAPID AND QUANTITATIVE-ANALYSIS OF BIOPROCESSES USING PYROLYSIS MASS-SPECTROMETRY AND NEURAL NETWORKS - APPLICATION TO INDOLE PRODUCTION
GOODACRE, R., & KELL, D. B. (1993). RAPID AND QUANTITATIVE-ANALYSIS OF BIOPROCESSES USING PYROLYSIS MASS-SPECTROMETRY AND NEURAL NETWORKS - APPLICATION TO INDOLE PRODUCTION. In ANALYTICA CHIMICA ACTA Vol. 279 (pp. 17-26). doi:10.1016/0003-2670(93)85062-O
QUANTITATIVE-ANALYSIS OF THE PYROLYSIS MASS-SPECTRA OF COMPLEX-MIXTURES USING ARTIFICIAL NEURAL NETWORKS - APPLICATION TO AMINO-ACIDS IN GLYCOGEN
GOODACRE, R., EDMONDS, A. N., & KELL, D. B. (1993). QUANTITATIVE-ANALYSIS OF THE PYROLYSIS MASS-SPECTRA OF COMPLEX-MIXTURES USING ARTIFICIAL NEURAL NETWORKS - APPLICATION TO AMINO-ACIDS IN GLYCOGEN. JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS, 26(2), 93-114. doi:10.1016/0165-2370(93)85020-Y
RAPID ASSESSMENT OF THE ADULTERATION OF VIRGIN OLIVE OILS BY OTHER SEED OILS USING PYROLYSIS MASS-SPECTROMETRY AND ARTIFICIAL NEURAL NETWORKS
GOODACRE, R., KELL, D. B., & BIANCHI, G. (1993). RAPID ASSESSMENT OF THE ADULTERATION OF VIRGIN OLIVE OILS BY OTHER SEED OILS USING PYROLYSIS MASS-SPECTROMETRY AND ARTIFICIAL NEURAL NETWORKS. JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE, 63(3), 297-307. doi:10.1002/jsfa.2740630306
WHEN GOING BACKWARDS MEANS PROGRESS - ON THE SOLUTION OF BIOCHEMICAL INVERSE PROBLEMS USING ARTIFICIAL NEURAL NETWORKS
KELL, D. B., DAVEY, C. L., GOODACRE, R., & SAURO, H. M. (1993). WHEN GOING BACKWARDS MEANS PROGRESS - ON THE SOLUTION OF BIOCHEMICAL INVERSE PROBLEMS USING ARTIFICIAL NEURAL NETWORKS. In MODERN TRENDS IN BIOTHERMOKINETICS (pp. 109-114). Retrieved from https://www.webofscience.com/
1992
NEURAL NETWORKS AND OLIVE OIL
GOODACRE, R., KELL, D. B., & BIANCHI, G. (1992). NEURAL NETWORKS AND OLIVE OIL. NATURE, 359(6396), 594. doi:10.1038/359594a0
1991
CHARACTERIZATION OF EXOPOLYMERS OF AQUATIC BACTERIA BY PYROLYSIS-MASS SPECTROMETRY
FORD, T., SACCO, E., BLACK, J., KELLEY, T., GOODACRE, R., BERKELEY, R. C. W., & MITCHELL, R. (1991). CHARACTERIZATION OF EXOPOLYMERS OF AQUATIC BACTERIA BY PYROLYSIS-MASS SPECTROMETRY. APPLIED AND ENVIRONMENTAL MICROBIOLOGY, 57(6), 1595-1601. doi:10.1128/AEM.57.6.1595-1601.1991
THE USE OF PYROLYSIS MASS-SPECTROMETRY IN THE CHARACTERIZATION OF RHIZOBIUM-MELILOTI
GOODACRE, R., HARTMANN, A., BERINGER, J. E., & BERKELEY, R. C. W. (1991). THE USE OF PYROLYSIS MASS-SPECTROMETRY IN THE CHARACTERIZATION OF RHIZOBIUM-MELILOTI. LETTERS IN APPLIED MICROBIOLOGY, 13(3), 157-160. doi:10.1111/j.1472-765X.1991.tb00596.x
THE USE OF PYROLYSIS MASS-SPECTROMETRY TO DETECT THE FIMBRIAL ADHESIVE ANTIGEN F41 FROM ESCHERICHIA-COLI HB101 (PSLM204)
GOODACRE, R., BERKELEY, R. C. W., & BERINGER, J. E. (1991). THE USE OF PYROLYSIS MASS-SPECTROMETRY TO DETECT THE FIMBRIAL ADHESIVE ANTIGEN F41 FROM ESCHERICHIA-COLI HB101 (PSLM204). JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS, 22(1-2), 19-28. doi:10.1016/0165-2370(91)85002-O
1990
DETECTION OF SMALL GENOTYPIC CHANGES IN ESCHERICHIA-COLI BY PYROLYSIS MASS-SPECTROMETRY
GOODACRE, R., & BERKELEY, R. C. W. (1990). DETECTION OF SMALL GENOTYPIC CHANGES IN ESCHERICHIA-COLI BY PYROLYSIS MASS-SPECTROMETRY. FEMS MICROBIOLOGY LETTERS, 71(1-2), 133-137. Retrieved from https://www.webofscience.com/
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