Professor Roy Goodacre FRSC, FLSW, FSAS
Professor of Biological Chemistry Biochemistry, Cell and Systems Biology
- Work email roy.goodacre@liverpool.ac.uk
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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)
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2024
Using surface-enhanced Raman scattering for simultaneous multiplex detection and quantification of thiols associated to axillary malodour. (Journal article)
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/d4an00762jThe 2024 Metabolomics publication awards (Journal article)
Goodacre, R. (n.d.). The 2024 Metabolomics publication awards. Metabolomics, 20(3). doi:10.1007/s11306-024-02132-zMobile guardians: Detection of food fraud with portable spectroscopy methods for enhanced food authenticity assurance (Journal article)
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.2024.103673Bacterial discrimination by Fourier transform infrared spectroscopy, MALDI-mass spectrometry and whole-genome sequencing. (Journal article)
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-2024-0043Life on Earth can grow on extraterrestrial organic carbon. (Journal article)
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/s41598-024-54195-62023
Current Practices in LC-MS Untargeted Metabolomics: A Scoping Review on the Use of Pooled Quality Control Samples. (Journal article)
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.3c02924Monitoring Phenotype Heterogeneity at the Single-Cell Level within <i>Bacillus</i> Populations Producing Poly-3-hydroxybutyrate by Label-Free Super-resolution Infrared Imaging. (Journal article)
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.3c03595Quantitative LC-MS study of compounds found predictive of COVID-19 severity and outcome. (Journal article)
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/s11306-023-02048-0Focusing Ion Funnel-assisted Ambient Electrospray enables High-Density and Uniform Deposition of Non-spherical Gold Nanoparticles for Highly Sensitive Surface-enhanced Raman Scattering (Journal article)
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/d3an01021jMetabolomics of <i>Escherichia coli</i> for Disclosing Novel Metabolic Engineering Strategies for Enhancing Hydrogen and Ethanol Production (Journal article)
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/ijms241411619Quantifying PG : VG ratio and nicotine content in commercially available e-liquids using handheld Raman spectroscopy (Journal article)
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/d3an00888fUnlocking the secrets of the microbiome: exploring the dynamic microbial interplay with humans through metabolomics and their manipulation for synthetic biology applications. (Journal article)
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/bcj20210534Analysis of exhaled breath to identify critically ill patients with ventilator-associated pneumonia (Journal article)
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.15999Rapid detection and quantification of paracetamol and its major metabolites using surface enhanced Raman scattering (Journal article)
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/d3an00249gMonitoring glucose levels in urine using FTIR spectroscopy combined with univariate and multivariate statistical methods (Journal article)
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.2022.122259NEWS: the 2023 <i>Metabolomics</i> publication awards (Journal article)
Goodacre, R. (2023). NEWS: the 2023 <i>Metabolomics</i> publication awards. METABOLOMICS, 19(4). doi:10.1007/s11306-023-02000-2Plant and microbial sciences as key drivers in the development of metabolomics research (Journal article)
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.2217383120Ensuring Fact-Based Metabolite Identification in Liquid Chromatography-Mass Spectrometry-Based Metabolomics (Journal article)
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.2c05192A proposed framework to evaluate the quality and reliability of targeted metabolomics assays from the UK Consortium on Metabolic Phenotyping (MAP/UK). (Journal article)
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/s41596-022-00801-8Raman analysis of inverse vulcanised polymers (Journal article)
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/d2py01408dGeographical pattern of minerals and its association with health disparities in the USA. (Journal article)
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/s10653-023-01510-1Investigating centrifugal filtration of serum-based FTIR spectroscopy for the stratification of brain tumours. (Journal article)
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.0279669Optical photothermal infrared spectroscopy: A novel solution for rapid identification of antimicrobial resistance at the single-cell level <i>via</i> deuterium isotope labeling (Journal article)
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.2023.1077106Non-invasive infrared spectroscopy of aqueous humour samples in glaucoma compared to controls (Conference Paper)
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 (Journal article)
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. (Journal article)
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/ciac859Simultaneous Multiplexed Quantification of Banned Sudan Dyes Using Surface Enhanced Raman Scattering and Chemometrics (Journal article)
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/s22207832Optical photothermal infrared spectroscopy can differentiate equine osteoarthritic plasma extracellular vesicles from healthy controls (Journal article)
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/d2ay00779gQuality assurance and quality control reporting in untargeted metabolic phenotyping: mQACC recommendations for analytical quality management (Journal article)
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/s11306-022-01926-3Metabolomics for the design of new metabolic engineering strategies for improving aerobic succinic acid production in <i>Escherichia coli</i> (Journal article)
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/s11306-022-01912-9Composition and diversity analysis of the lung microbiome in patients with suspected ventilator-associated pneumonia. (Journal article)
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-zSimultaneous Raman and infrared spectroscopy: a novel combination for studying bacterial infections at the single cell level (Journal article)
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/d2sc02493dMetabolic Fingerprint Analysis of Cytochrome <i>b</i><sub>5</sub>-producing <i>E. coli</i> N4830-1 Using FT-IR Spectroscopy (Journal article)
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.2022.874247Simultaneous Raman and Infrared Spectroscopy of Stable Isotope Labelled <i>Escherichia coli</i> (Journal article)
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/s22103928Reference materials for MS-based untargeted metabolomics and lipidomics: a review by the metabolomics quality assurance and quality control consortium (mQACC). (Journal article)
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/s11306-021-01848-6NEWS: The 2022 Metabolomics publication awards. (Journal article)
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-yNOVEL SPECTROSCOPY TECHNIQUES USED TO INTERROGATE EQUINE OSTEOARTHRITIC EXTRACELLULAR VESICLES (Journal article)
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 (Journal article)
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/d2ay00219aUntargeted metabolomics of COVID-19 patient serum reveals potential prognostic markers of both severity and outcome (Journal article)
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/s11306-021-01859-3Comparative analysis of serum obtained in early pregnancy using Fourier transform-infrared spectroscopy to predict tubal ectopic pregnancy and miscarriage (Conference Paper)
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 (Conference Paper)
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. (Conference Paper)
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 (Conference Paper)
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) (Journal article)
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-2021-2173622021
Breath and plasma metabolomics to assess inflammation in acute stroke (Journal article)
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/s41598-021-01268-5Assessing the impact of nitrogen supplementation in oats across multiple growth locations and years with targeted phenotyping and high-resolution metabolite profiling approaches. (Journal article)
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.2021.129585Portable through Bottle SORS for the Authentication of Extra Virgin Olive Oil (Journal article)
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/app11188347Understanding the Metabolomics of Uveal Melanoma (Conference Paper)
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 (Journal article)
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.2021.100014Rapid Spectroscopic Liquid Biopsy for the Universal Detection of Brain Tumours (Journal article)
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/cancers13153851The Role of Raman Spectroscopy Within Quantitative Metabolomics (Journal article)
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-091420-092323The 2021 Metabolomics publication awards. (Journal article)
Goodacre, R. (2021). The 2021 Metabolomics publication awards.. Metabolomics : Official journal of the Metabolomic Society, 17(4), 35. doi:10.1007/s11306-021-01785-4Metabolomics of sebum reveals lipid dysregulation in Parkinson's disease (Journal article)
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/s41467-021-21669-4Imaging Isotopically Labeled Bacteria at the Single-Cell Level Using High-Resolution Optical Infrared Photothermal Spectroscopy. (Journal article)
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.0c03967Metabolism in action: stable isotope probing using vibrational spectroscopy and SIMS reveals kinetic and metabolic flux of key substrates (Journal article)
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/d0an02319aSimultaneous quantification of the boar-taint compounds skatole and androstenone by surface-enhanced Raman scattering (SERS) and multivariate data analysis (Journal article)
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/s00216-015-8945-22020
Comparability of Raman Spectroscopic Configurations: A Large Scale Cross-Laboratory Study (Journal article)
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.0c02696Detection and quantification of exhaled volatile organic compounds in mechanically ventilated patients - comparison of two sampling methods. (Journal article)
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/c9an01134jTargeting Methionine Synthase in a Fungal Pathogen Causes a Metabolic Imbalance That Impacts Cell Energetics, Growth, and Virulence. (Journal article)
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.01985-20Effects of high relative humidity and dry purging on VOCs obtained during breath sampling on common sorbent tubes. (Journal article)
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/ab7e17Sensitive and selective detection of DNA fragments associated with Ganoderma boninense by DNA-nanoparticle conjugate hybridisation (Journal article)
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/s10853-020-05058-8Evaluation of Sample Preparation Methods for Inter-Laboratory Metabolomics Investigation of <i>Streptomyces lividans</i> TK24 (Journal article)
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/metabo10090379Comparison of liver and plasma metabolic profiles in piglets of different ages as animal models for paediatric population. (Journal article)
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/d0an00254bRaman Spectroscopy to Monitor Post-Translational Modifications and Degradation in Monoclonal Antibody Therapeutics. (Journal article)
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.0c00627Assessment of transdermal delivery of topical compounds in skin scarring using a novel combined approach of Raman spectroscopy and HPLC. (Journal article)
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.2020.1154Quantification of protein glycation using vibrational spectroscopy. (Journal article)
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/c9an02318fThe 2020 metabolomics publication awards. (Journal article)
Goodacre, R. (2020). The 2020 metabolomics publication awards. METABOLOMICS, 16(5). doi:10.1007/s11306-020-01664-4Radiation Tolerance of <i>Pseudanabaena catenata</i>, a Cyanobacterium Relevant to the First Generation Magnox Storage Pond (Journal article)
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.2020.00515Comparative Metabolomics and Molecular Phylogenetics of Melon (<i>Cucumis melo</i>, Cucurbitaceae) Biodiversity (Journal article)
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/metabo10030121Surface Enhanced Raman Spectroscopy for quantitative analysis: results of a large-scale European multi-instrument interlaboratory study. (Journal article)
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.9b05658Development of a sensor device with polymer-coated piezoelectric micro-cantilevers for detection of volatile organic compounds (Journal article)
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/ab4f2fOptimization of XCMS parameters for LC-MS metabolomics: an assessment of automated versus manual tuning and its effect on the final results (Journal article)
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/s11306-020-1636-9A microbiome and metabolomic signature of phases of cutaneous healing identified by profiling sequential acute wounds of human skin: An exploratory study (Journal article)
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.0229545The role of metabolomics in personalized medicine (Chapter)
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/b978-0-12-812784-1.00011-62019
Rapid differentiation of Campylobacter jejuni cell wall mutants using Raman spectroscopy, SERS and mass spectrometry combined with chemometrics. (Journal article)
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/c9an02026hGlobal metabolite profiles of rice brown planthopper-resistant traits reveal potential secondary metabolites for both constitutive and inducible defenses (Journal article)
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/s11306-019-1616-0Metabolic dysregulation in vitamin E and carnitine shuttle energy mechanisms associate with human frailty (Journal article)
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/s41467-019-12716-2Present and Future of Surface-Enhanced Raman Scattering. (Journal article)
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.9b04224Circadian rhythm of exhaled biomarkers in health and asthma (Journal article)
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 (Journal article)
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/c9fd00074gData mining and visualisation: general discussion (Journal article)
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/C9FD90044FDealing with complexity: general discussion (Journal article)
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/C9FD90055AFuture challenges and new approaches: general discussion (Journal article)
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/c9fd90046bHigh resolution techniques: general discussion (Journal article)
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/c9fd90045dAre omics the death of Good Sampling Practice? (Journal article)
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. (Journal article)
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.00449.2018Discovery of Volatile Biomarkers of Parkinson's Disease from Sebum (Journal article)
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.8b00879NEWS: the 2019 Metabolomics publication awards (Journal article)
Goodacre, R. (2019). NEWS: the 2019 Metabolomics publication awards. METABOLOMICS, 15(5). doi:10.1007/s11306-019-1528-zCentral Metabolism Is Tuned to the Availability of Oxygen in Developing Melon Fruit (Journal article)
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.2019.00594Polymer Pen Lithography-Fabricated DNA Arrays for Highly Sensitive and Selective Detection of Unamplified Ganoderma Boninense DNA (Journal article)
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/polym11030561Enhancing disease diagnosis: Biomedical applications of surface-enhanced raman scattering (Journal article)
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/app9061163Rapid UHPLC-MS metabolite profiling and phenotypic assays reveal genotypic impacts of nitrogen supplementation in oats (Journal article)
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-xUltrasensitive Colorimetric Detection of Murine Norovirus Using NanoZyme Aptasensor (Journal article)
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.8b03300Detection of the adulteration of fresh coconut water via NMR spectroscopy and chemometrics (Journal article)
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/c8an01964aRapid quantification of the adulteration of fresh coconut water by dilution and sugars using Raman spectroscopy and chemometrics (Journal article)
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.2018.08.038Application of HPLC-PDA-MS metabolite profiling to investigate the effect of growth temperature and day length on blackcurrant fruit (Journal article)
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/s11306-018-1462-5A MICROBIOME AND METABOLOMIC SIGNATURE OF PHASES OF CUTANEOUS HEALING IDENTIFIED BY PROFILING SEQUENTIAL ACUTE WOUNDS OF HUMAN SKIN (Conference Paper)
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 (Journal article)
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.2018.11.006Methodological considerations for large-scale breath analysis studies: lessons from the U-BIOPRED severe asthma project (Journal article)
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/aae557Rapid Detection and Quantification of Novel Psychoactive Substances (NPS) Using Raman Spectroscopy and Surface-Enhanced Raman Scattering (Journal article)
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.2019.004122018
<i>Metabolomics</i> would like to thank all our referees for their support in 2018 (Journal article)
Goodacre, R. (2018). <i>Metabolomics</i> would like to thank all our referees for their support in 2018. METABOLOMICS, 14(12). doi:10.1007/s11306-018-1455-4An automated Design-Build-Test-Learn pipeline for enhanced microbial production of fine chemicals (Journal article)
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/s42003-018-0076-9Rapid through-container detection of fake spirits and methanol quantification with handheld Raman spectroscopy (Journal article)
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/c8an01702fMitochondrial aconitase is a key regulator of energy production for growth and protein expression in Chinese hamster ovary cells (Journal article)
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/s11306-018-1430-0Development of an adaptable headspace sampling method for metabolic profiling of the fungal volatome (Journal article)
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/c8an00841hVolatile organic compound signature from co-culture of lung epithelial cell line with <i>Pseudomonas aeruginosa</i> (Journal article)
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/c8an00759dOn Splitting Training and Validation Set: A Comparative Study of Cross-Validation, Bootstrap and Systematic Sampling for Estimating the Generalization Performance of Supervised Learning (Journal article)
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/s41664-018-0068-2Surface-Enhanced Raman Scattering (SERS) in Microbiology: Illumination and Enhancement of the Microbial World (Journal article)
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:10.1177/0003702818764672pH plays a role in the mode of action of trimethoprim on <i>Escherichia coli</i> (Journal article)
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.0200272A Novel Adaptation Mechanism Underpinning Algal Colonization of a Nuclear Fuel Storage Pond (Journal article)
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.02395-17Guidelines and considerations for the use of system suitability and quality control samples in mass spectrometry assays applied in untargeted clinical metabolomic studies (Journal article)
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/s11306-018-1367-3Recent developments in quantitative SERS: Moving towards absolute quantification (Journal article)
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.2018.03.005TD/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 (Journal article)
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/s11306-018-1357-5Clinical applications of infrared and Raman spectroscopy: state of play and future challenges (Journal article)
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/c7an01871aClinical applications of infrared and Raman spectroscopy: state of play and future challenges (vol 143, pg 1934, 2018) (Journal article)
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/c8an90029aNEWS: the 2018 <i>Metabolomics</i> publication awards (Journal article)
Goodacre, R. (2018). NEWS: the 2018 <i>Metabolomics</i> publication awards. METABOLOMICS, 14(5). doi:10.1007/s11306-018-1353-9Elevated luteinizing hormone despite normal testosterone levels in older mennatural history, risk factors and clinical features (Journal article)
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.13524Improved Descriptors for the Quantitative Structure-Activity Relationship Modeling of Peptides and Proteins (Journal article)
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.7b00488Translation Stress Positively Regulates MscL-Dependent Excretion of Cytoplasmic Proteins (Journal article)
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.02118-17Headspace volatile organic compounds from bacteria implicated in ventilator-associated pneumonia analysed by TD-GC/MS (Journal article)
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/aa8efcOmics Methods For the Detection of Foodborne Pathogens (Chapter)
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/b978-0-08-100596-5.21793-92017
Towards improved quantitative analysis using surface-enhanced Raman scattering incorporating internal isotope labelling (Journal article)
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/c7ay02527kSERS Detection of Multiple Antimicrobial-Resistant Pathogens Using Nanosensors. (Journal article)
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.7b02653Analytical SERS: general discussion (Journal article)
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/C7FD90096AQuantitative detection of isotopically enriched <i>E</i>. <i>coli</i> cells by SERS (Journal article)
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/c7fd00150aSERS in biology/biomedical SERS: general discussion (Journal article)
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/c7fd90089aTheory of SERS enhancement: general discussion (Journal article)
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/c7fd90095cUltrasensitive and towards single molecule SERS: general discussion (Journal article)
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/C7FD90088KFrom Multistep Enzyme Monitoring to Whole-Cell Biotransformations: Development of Real-Time Ultraviolet Resonance Raman Spectroscopy (Journal article)
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.7b03742Exhaled Volatile Organic Compounds of Infection: A Systematic Review (Journal article)
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.7b00088Increased intracellular proteolysis reduces disease severity in an ER stress-associated dwarfism (Journal article)
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/JCI93094Exhaled breath analysis: a review of 'breath-taking' methods for off-line analysis (Journal article)
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/s11306-017-1241-8Through-container, extremely low concentration detection of multiple chemical markers of counterfeit alcohol using a handheld SORS device (Journal article)
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/s41598-017-12263-0Objective assessment of SERS thin films: comparison of silver on copper via galvanic displacement with commercially available fabricated substrates (Journal article)
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/c7ay01584dTwo Glycerol-3-Phosphate Dehydrogenases from <i>Chlamydomonas</i> Have Distinct Roles in Lipid Metabolism (Journal article)
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.17.00491Quantitative Online Liquid Chromatography Surface-Enhanced Raman Scattering (LC-SERS) of Methotrexate and its Major Metabolites (Journal article)
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.7b00916Recommendations on the Implementation of Genetic Algorithms for the Directed Evolution of Enzymes for Industrial Purposes (Journal article)
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.201700013Probing the action of a novel anti-leukaemic drug therapy at the single cell level using modern vibrational spectroscopy techniques (Journal article)
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/s41598-017-02069-5Real‐Time Monitoring of Enzyme‐Catalysed Reactions using Deep UV Resonance Raman Spectroscopy (Journal article)
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.201701388Commentary on "Rapid identification of Streptococcus and Enterococcus species using diffuse reflectance-absorbance Fourier transform infrared spectroscopy and artificial neural networks" (Journal article)
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/fnx018Ethnic differences in male reproductive hormones and relationships with adiposity and insulin resistance in older men (Journal article)
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.13305NEWS: The 2017 Metabolomics publication awards (Journal article)
Royston, G. (2017). NEWS: The 2017 Metabolomics publication awards. Metabolomics, 13(5). doi:10.1007/s11306-017-1198-7Systems biology guided by XCMS Online metabolomics (Journal article)
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.4260Quantitative detection of codeine in human plasma using surface-enhanced Raman scattering <i>via</i> adaptation of the isotopic labelling principle (Journal article)
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/c7an00193bMetabolomics for the masses: The future of metabolomics in a personalized world (Journal article)
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.2017.06.001Detection of glycosylation and iron-binding protein modifications using Raman spectroscopy (Journal article)
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/c6an02516aAbsolute Quantification of Uric Acid in Human Urine Using Surface Enhanced Raman Scattering with the Standard Addition Method (Journal article)
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.6b04588Computational tools and workflows in metabolomics: An international survey highlights the opportunity for harmonisation through Galaxy (Journal article)
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-xSERS Detection of Multiple Antimicrobial-Resistant Pathogens Using Nanosensors (Journal article)
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.7b026532016
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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.2016.07.001The androgen receptor gene CAG repeat in relation to 4-year changes in androgen-sensitive endpoints in community-dwelling older European men (Journal article)
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-16-0447Rapid, Accurate, and Quantitative Detection of Propranolol in Multiple Human Biofluids via Surface-Enhanced Raman Scattering (Journal article)
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.6b02041Rapid discrimination of <i>Enterococcus faecium</i> strains using phenotypic analytical techniques (Journal article)
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/c6ay02326fClassification of <i>Bacillus</i> and <i>Brevibacillus</i> species using rapid analysis of lipids by mass spectrometry (Journal article)
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/s00216-016-9890-4Partial Least Squares with Structured Output for Modelling the Metabolomics Data Obtained from Complex Experimental Designs: A Study into the Y-Block Coding (Journal article)
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/metabo6040038Reverse and Multiple Stable Isotope Probing to Study Bacterial Metabolism and Interactions at the Single Cell Level (Journal article)
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.6b01602039 Systems biology approach to the analysis of pharmacogenomic data in psoriasis (Journal article)
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.2016.06.056FUM2, a Cytosolic Fumarase, Is Essential for Acclimation to Low Temperature in <i>Arabidopsis thaliana</i><SUP>1[OPEN]</SUP> (Journal article)
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.16.00852Rapid, accurate, and comparative differentiation of clinically and industrially relevant microorganisms <i>via</i> multiple vibrational spectroscopic fingerprinting (Journal article)
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/c6an00883fSERS of meso-droplets supported on superhydrophobic wires allows exquisitely sensitive detection of dipicolinic acid, an anthrax biomarker, considerably below the infective close (Journal article)
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/c6cc03521cA flavour of omics approaches for the detection of food fraud (Journal article)
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.2016.07.002Rapid, high-throughput, and quantitative determination of orange juice adulteration by Fourier-transform infrared spectroscopy (Journal article)
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/c6ay01480aMetabolic analysis of the response of <i>Pseudomonas putida</i> DOT-T1E strains to toluene using Fourier transform infrared spectroscopy and gas chromatography mass spectrometry (Journal article)
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/s11306-016-1054-1NEWS: the 2016 Metabolomics publication awards (Journal article)
Goodacre, R. (2016). NEWS: the 2016 Metabolomics publication awards. Metabolomics, 12(7). doi:10.1007/s11306-016-1060-3Biofluids and other techniques: general discussion (Journal article)
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/C6FD90014CClinical Spectroscopy: general discussion (Journal article)
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/C6FD90013ESingle cell analysis/data handling: general discussion (Journal article)
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/C6FD90012GSpectral Pathology: general discussion (Journal article)
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/C6FD90011AFractional Factorial Design of MALDI-TOF-MS Sample Preparations for the Optimized Detection of Phospholipids and Acylglycerols (Journal article)
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.6b00512SYNBIOCHEM - a SynBio foundry for the biosynthesis and sustainable production of fine and speciality chemicals (Journal article)
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/BST20160009Label-Free Surface Enhanced Raman Scattering Approach for High-Throughput Screening of Biocatalysts (Journal article)
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.6b00813Metabolomics Analysis Reveals the Participation of Efflux Pumps and Ornithine in the Response of <i>Pseudomonas putida</i> DOT-T1E Cells to Challenge with Propranolol (Journal article)
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.0156509Intermittent energy restriction induces changes in breast gene expression and systemic metabolism (Journal article)
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/s13058-016-0714-4Electronic cigarette exposure triggers neutrophil inflammatory responses (Journal article)
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-xBiochemical Analyses of Sorghum Varieties Reveal Differential Responses to Drought (Journal article)
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.0154423Evaluation 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 (Journal article)
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/s11306-016-1017-6Detecting food authenticity and integrity (Journal article)
Ellis, D. I., & Goodacre, R. (2016). Detecting food authenticity and integrity. ANALYTICAL METHODS, 8(16), 3281-3283. doi:10.1039/c6ay90015aMetabolic Fingerprinting of <i>Pseudomonas putida</i> DOT-T1E Strains: Understanding the Influence of Divalent Cations in Adaptation Mechanisms Following Exposure to Toluene (Journal article)
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/metabo6020014Meat, the metabolites: an integrated metabolite profiling and lipidomics approach for the detection of the adulteration of beef with pork (Journal article)
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/c6an00108dTowards Improving Point-of-Care Diagnosis of Non-malaria Febrile Illness: A Metabolomics Approach (Journal article)
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.0004480Say hello to Dr Warwick Dunn! Metabolomics' new Reviews Editor (Journal article)
Goodacre, R. (2016). Say hello to Dr Warwick Dunn! Metabolomics' new Reviews Editor. METABOLOMICS, 12(3). doi:10.1007/s11306-016-0978-9Detection of Protein Glycosylation Using Tip-Enhanced Raman Scattering (Journal article)
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.5b03535Continued growth, continual progress, and continuous publications (Journal article)
Goodacre, R. (2016). Continued growth, continual progress, and continuous publications. METABOLOMICS, 12(1). doi:10.1007/s11306-015-0911-7Chicken, beams, and <i>Campylobacter</i>: rapid differentiation of foodborne bacteria via vibrational spectroscopy and MALDI-mass spectrometry (Journal article)
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/c5an01945aAchieving optimal SERS through enhanced experimental design (Journal article)
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.4855Data standards can boost metabolomics research, and if there is a will, there is a way (Journal article)
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/s11306-015-0879-3High-throughput metabolic screening of microalgae genetic variation in response to nutrient limitation (Journal article)
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/s11306-015-0878-4Metabolomic analysis of riboswitch containing <i>E-coli</i> recombinant expression system (Journal article)
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/c5mb00624dMetabolomics reveals the physiological response of <i>Pseudomonas</i> <i>putida</i> KT2440 (UWC1) after pharmaceutical exposure (Journal article)
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/c5mb00889a2015
COordination of Standards in MetabOlomicS (COSMOS): facilitating integrated metabolomics data access (Journal article)
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-yCoordination of Standards in MetabOlomicS (COSMOS): facilitating integrated metabolomics data access (vol 11, pg 1587, 2015) (Journal article)
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/s11306-015-0822-7Point-and-shoot: rapid quantitative detection methods for on-site food fraud analysis - moving out of the laboratory and into the food supply chain (Journal article)
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/c5ay02048dAseptic Raman spectroscopy can detect changes associated with the culture of human dental pulp stromal cells in osteoinductive culture (Journal article)
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/c5an01595bA 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 (Journal article)
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.201500005Detection of early stage changes associated with adipogenesis using Raman spectroscopy under aseptic conditions (Journal article)
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.22777Simultaneous multiplexed quantification of caffeine and its major metabolites theobromine and paraxanthine using surface-enhanced Raman scattering (Journal article)
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/s00216-015-9004-8THE FRAILL PROJECT - INVESTIGATING AGING AND FRAILTY IN LATER LIFE USING UNTARGETED SERUM METABOLOMICS (Conference Paper)
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 (Journal article)
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/srep15649Metabolomics investigation of recombinant mTNFα production in <i>Streptomyces lividans</i> (Journal article)
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/s12934-015-0350-1Metabolomics society 2015 <i>Metabolomics</i> publication awards (Journal article)
Goodacre, R. (2015). Metabolomics society 2015 <i>Metabolomics</i> publication awards. METABOLOMICS, 11(5), 1035. doi:10.1007/s11306-015-0845-0Detection and quantification of the opioid tramadol in urine using surface enhanced Raman scattering (Journal article)
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/c5an01177aMetabolic responses of eukaryotic microalgae to environmental stress limit the ability of FT-IR spectroscopy for species identification (Journal article)
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.2015.06.009Metabolite profiling of CHO cells: Molecular reflections of bioprocessing effectiveness (Journal article)
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.201400664Functional Exchangeability of Oxidase and Dehydrogenase Reactions in the Biosynthesis of Hydroxyphenylglycine, a Nonribosomal Peptide Building Block (Journal article)
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/sb500368wApplication of surface enhanced Raman scattering to the solution based detection of a popular legal high, 5,6-methylenedioxy-2-aminoindane (MDAI) (Journal article)
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/c5an00591dAcclimation of metabolism to light in <i>Arabidopsis thaliana</i>: the glucose 6-phosphate/phosphate translocator GPT2 directs metabolic acclimation (Journal article)
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.12495Oxidized phosphatidylcholines suggest oxidative stress in patients with medium-chain acyl-CoA dehydrogenase deficiency (Journal article)
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.2015.02.041New cofactor supports α,β-unsaturated acid decarboxylation via 1,3-dipolar cycloaddition (Journal article)
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/nature14560UbiX is a flavin prenyltransferase required for bacterial ubiquinone biosynthesis (Journal article)
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/nature14559Phenotypic Characterisation of <i>Shewanella oneidensis</i> MR-1 Exposed to X-Radiation (Journal article)
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.0131249A tutorial review: Metabolomics and partial least squares-discriminant analysis - a marriage of convenience or a shotgun wedding (Journal article)
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.2015.02.012METABOLOMIC PROFILING IN ACUTE PANCREATITIS; IN SEARCH OF NEW BIOMARKERS (Conference Paper)
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-2015-309861.646METABOLOMIC PROFILING IN INFLAMMATORY BOWEL DISEASE (Conference Paper)
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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/s11306-014-0738-7Exploring the mode of action of dithranol therapy for psoriasis: a metabolomic analysis using HaCaT cells (Journal article)
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/c4mb00739eMetabolic Profiling of <i>Geobacter sulfurreducens</i> during Industrial Bioprocess Scale-Up (Journal article)
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.00294-15Combining Raman and FT-IR Spectroscopy with Quantitative Isotopic Labeling for Differentiation of E. coli Cells at Community and Single Cell Levels (Journal article)
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.5b00892A workflow for bacterial metabolic fingerprinting and lipid profiling: application to Ciprofloxacin challenged <i>Escherichia coli</i> (Journal article)
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/s11306-014-0674-6Surveillance for lower airway pathogens in mechanically ventilated patients by metabolomic analysis of exhaled breath: a case-control study (Journal article)
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-2014-206273Making colourful sense of Raman images of single cells (Journal article)
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/c4an02298jMUSCLE: automated multi-objective evolutionary optimization of targeted LC-MS/MS analysis (Journal article)
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/btu740Untargeted Metabolic Profiling Identifies Altered Serum Metabolites of Type 2 Diabetes Mellitus in a Prospective, Nested Case Control Study (Journal article)
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.2014.228965I spy with my little eye something beginning with aEuro¦ 'H' (Journal article)
Goodacre, R. (2015). I spy with my little eye something beginning with aEuro¦ 'H'. METABOLOMICS, 11(1), 6-8. doi:10.1007/s11306-014-0762-7Molecular phenotyping of a UK population: defining the human serum metabolome (Journal article)
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/s11306-014-0707-1UV resonance Raman spectroscopy: a process analytical tool for host cell DNA and RNA dynamics in mammalian cell lines (Journal article)
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.4420A comprehensive omics assessment of etanercept therapy for psoriasis (Conference Paper)
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/A comprehensive omics assessment of etanercept therapy for psoriasis (Conference Paper)
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/Profiling of spatial metabolite distributions in wheat leaves under normal and nitrate limiting conditions (Journal article)
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.2015.01.007The Effect Of Electronic Cigarette Exposure On Innate Immune Cells (Conference Paper)
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
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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/ac5038329Selective induction and subcellular distribution of ACONITASE 3 reveal the importance of cytosolic citrate metabolism during lipid mobilization in <i>Arabidopsis</i> (Journal article)
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/BJ20140430Quantitative Online Liquid Chromatography-Surface-Enhanced Raman Scattering of Purine Bases (Journal article)
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/ac5029159Simultaneous multiplexed quantification of nicotine and its metabolites using surface enhanced Raman scattering (Journal article)
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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/jf5019609Taking your breath away: metabolomics breathes life in to personalized medicine (Journal article)
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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/c4an00176aOptimization 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 (Journal article)
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.2014.06.032Influence of missing values substitutes on multivariate analysis of metabolomics data. (Journal article)
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/metabo4020433A comparative investigation of modern feature selection and classification approaches for the analysis of mass spectrometry data (Journal article)
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.2014.03.039Electrochemical modulation of SERS at the liquid/liquid interface (Journal article)
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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/c3mb70423hMetabolomics in melon: A new opportunity for aroma analysis (Journal article)
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.2013.12.010Water, water, every where, but rarely any drop to drink (Journal article)
Goodacre, R. (2014). Water, water, every where, but rarely any drop to drink. METABOLOMICS, 10(1), 5-7. doi:10.1007/s11306-013-0618-6A comparison of different chemometrics approaches for the robust classification of electronic nose data (Journal article)
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/s00216-014-8216-7Chemometrics models for overcoming high between subject variability: applications in clinical metabolic profiling studies (Journal article)
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/s11306-013-0616-8Evidence That Multiple Defects in Lipid Regulation Occur before Hyperglycemia during the Prodrome of Type-2 Diabetes (Journal article)
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.0103217Implementation of Fourier transform infrared spectroscopy for the rapid typing of uropathogenic <i>Escherichia coli</i> (Journal article)
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/s10096-013-2036-0Metabolomics and systems pharmacology: why and how to model the human metabolic network for drug discovery (Journal article)
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.2013.07.014Metabolomics and systems pharmacology: why and how to model the human metabolic network for drug discovery (vol 19, pg 171, 2014) (Journal article)
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.2014.03.019Modulation of metabolomic signature on biological treatment with etanercept in psoriasis (Conference Paper)
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 (Journal article)
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/c3sc52875h2013
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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/c3an01341cRaman Activated Cell Ejection for Isolation of Single Cells (Journal article)
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/ac403107pHighly sensitive detection of nitroaromatic explosives at discrete nanowire arrays (Journal article)
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/c3fd00027cA novel untargeted metabolomics correlation-based network analysis incorporating human metabolic reconstructions (Journal article)
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:10.1186/1752-0509-7-107The role of reporting standards for metabolite annotation and identification in metabolomic studies (Journal article)
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-2-13Illuminating disease and enlightening biomedicine: Raman spectroscopy as a diagnostic tool (Journal article)
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/c3an00698kIntegrating multiple analytical platforms and chemometrics for comprehensive metabolic profiling: application to meat spoilage detection (Journal article)
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/s00216-013-6884-3Metabolomic analyses show that electron donor and acceptor ratios control anaerobic electron transfer pathways in <i>Shewanella oneidensis</i> (Journal article)
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/s11306-012-0488-3Metabolomics and metabolite profiling (Journal article)
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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/ac303657kHigh-throughput phenotyping of uropathogenic <i>E</i>. <i>coli</i> isolates with Fourier transform infrared spectroscopy (Journal article)
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/c3an36517dMass appeal: metabolite identification in mass spectrometry-focused untargeted metabolomics (Journal article)
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/s11306-012-0434-4A comparison of Raman and FT-IR spectroscopy for the prediction of meat spoilage (Journal article)
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.2012.05.040The devil is in the detail (Journal article)
Goodacre, R. (2013). The devil is in the detail. METABOLOMICS, 9(1), 1-2. doi:10.1007/s11306-013-0496-yBiological Methods for Metabolic Research (Chapter)
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/cbo9780511996634.004Optimization of Parameters for the Quantitative Surface-Enhanced Raman Scattering Detection of Mephedrone Using a Fractional Factorial Design and a Portable Raman Spectrometer (Journal article)
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/ac302542r2p or not 2p: tuppence-based SERS for the detection of illicit materials (Journal article)
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/c2an35974jFT-IR spectroscopic investigation of bacterial cell envelopes from <i>Zymomonas mobilis</i> which have different surface hydrophobicities (Journal article)
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.2012.10.008Flow infusion electrospray ionisation mass spectrometry for high throughput, non-targeted metabolite fingerprinting: a review (Journal article)
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-xProteome and metabolome analyses for food authentication (Chapter)
Vaidyanathan, S., & Goodacre, R. (2003). Proteome and metabolome analyses for food authentication. In Food Authenticity and Traceability (pp. 71-100). Elsevier. doi:10.1533/9781855737181.1.712012
Liquid Chromatography-Mass Spectrometry Calibration Transfer and Metabolomics Data Fusion (Journal article)
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/ac302227cEnhancing Surface Enhanced Raman Scattering (SERS) Detection of Propranolol with Multiobjective Evolutionary Optimization (Journal article)
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/ac301647aFingerprinting food: current technologies for the detection of food adulteration and contamination (Journal article)
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/c2cs35138bDupuytren's disease metabolite analyses reveals alterations following initial short-term fibroblast culturing (Journal article)
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/c2mb25173fMiniaturised free flow isotachophoresis of bacteria using an injection moulded separation device (Journal article)
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.2012.06.040Detection and Quantification of Bacterial Spoilage in Milk and Pork Meat Using MALDI-TOF-MS and Multivariate Analysis (Journal article)
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/ac300582dRapid reagentless quantification of alginate biosynthesis in <i>Pseudomonas fluorescens</i> bacteria mutants using FT-IR spectroscopy coupled to multivariate partial least squares regression (Journal article)
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/s00216-012-6068-6The optimisation of facile substrates for surface enhanced Raman scattering through galvanic replacement of silver onto copper (Journal article)
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/c2an35323gMultiblock principal component analysis: an efficient tool for analyzing metabolomics data which contain two influential factors (Journal article)
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/s11306-011-0361-9Proof-of-principle study to detect metabolic changes in peritoneal dialysis effluent in patients who develop encapsulating peritoneal sclerosis (Journal article)
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/gfr662Fourier Transform Ion Cyclotron Resonance mass spectrometry for plant metabolite profiling and metabolite identification. (Journal article)
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_11Separating the inseparable: the metabolomic analysis of plant-pathogen interactions. (Journal article)
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_3Vibrational Spectroscopy for “Food Forensics” (Chapter)
Brewster, V. L., & Goodacre, R. (2012). Vibrational Spectroscopy for “Food Forensics”. In Unknown Book (pp. 583-592). Wiley. doi:10.1002/9781119962328.ch9cMetabolomics-assisted synthetic biology (Journal article)
Ellis, D. I., & Goodacre, R. (2012). Metabolomics-assisted synthetic biology. CURRENT OPINION IN BIOTECHNOLOGY, 23(1), 22-28. doi:10.1016/j.copbio.2011.10.014No seven year itch for <i>Metabolomics</i> (Journal article)
Goodacre, R. (2012). No seven year itch for <i>Metabolomics</i>. METABOLOMICS, 8(1), 1. doi:10.1007/s11306-011-0393-1Automated workflows for accurate mass-based putative metabolite identification in LC/MS-derived metabolomic datasets (vol 27, pg 1108, 2011) (Journal article)
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/btr601Systems biology of HIF metabolism in cancer (Conference Paper)
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 (Conference Paper)
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 (Journal article)
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/b906712bMetabolite Profiling of Recombinant CHO Cells: Designing Tailored Feeding Regimes That Enhance Recombinant Antibody Production (Journal article)
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.23269The Importance of Protonation in the Investigation of Protein Phosphorylation Using Raman Spectroscopy and Raman Optical Activity (Journal article)
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/ac202041fIntegration of metabolomics in heart disease and diabetes research: current achievements and future outlook (Journal article)
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.11.223Dupuytren's: a systems biology disease (Journal article)
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/ar3438Is Serum or Plasma More Appropriate for Intersubject Comparisons in Metabolomic Studies? An Assessment in Patients with Small-Cell Lung Cancer (Journal article)
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/ac2012224Metabolomic approaches reveal that cell wall modifications play a major role in ethylene-mediated resistance against <i>Botrytis cinerea</i> (Journal article)
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.xRaman spectroscopy: lighting up the future of microbial identification (Journal article)
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.11.89Monitoring the Glycosylation Status of Proteins Using Raman Spectroscopy (Journal article)
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/ac2012009Metabolite extraction from suspension-cultured mammalian cells for global metabolite profiling (Journal article)
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.2011.366Fourier 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 (Journal article)
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/ac2008256Screening ionic liquids for use in biotransformations with whole microbial cells (Journal article)
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/c0gc00579gTARDIS-based microbial metabolomics: time and relative differences in systems (Journal article)
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.2011.05.004Procedures for large-scale metabolic profiling of serum and plasma using gas chromatography and liquid chromatography coupled to mass spectrometry (Journal article)
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.2011.335Structural, spectroscopic and redox properties of uranyl complexes with a maleonitrile containing ligand (Journal article)
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/c0dt01580fExtensive metabolic cross-talk in melon fruit revealed by spatial and developmental combinatorial metabolomics (Journal article)
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.xATR (ataxia telangiectasia mutated- and Rad3-related kinase) is activated by mild hypothermia in mammalian cells and subsequently activates p53 (Journal article)
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/BJ20101303Automated workflows for accurate mass-based putative metabolite identification in LC/MS-derived metabolomic datasets (Journal article)
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/btr079Angiotensin Converting Enzyme Exerts System Control Over Fuel Handling In Skeletal Muscle (Conference Paper)
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 (Journal article)
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/s00216-011-4728-6PROGRESS IN CHEMOMETRICS AND BIOSTATISTICS FOR PLANT APPLICATIONS, OR: A GOOD RED WINE IS A BAD WHITE WINE (Chapter)
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.ch10Metabolic profiling of meat: assessment of pork hygiene and contamination with <i>Salmonella typhimurium</i> (Journal article)
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/c0an00394hA 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 (Journal article)
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:10.1186/1471-2105-12-33Metabolic fingerprinting as a tool to monitor whole-cell biotransformations (Journal article)
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-zPLANT METABOLOMICS AND ITS POTENTIAL FOR SYSTEMS BIOLOGY RESEARCH: BACKGROUND CONCEPTS, TECHNOLOGY, AND METHODOLOGY (Journal article)
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/B978-0-12-385118-5.00016-5The role of metabolites and metabolomics in clinically applicable biomarkers of disease (Journal article)
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/s00204-010-0609-62010
A Robot Scientist Approach Towards Optimization Of SERS (Conference Paper)
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 (Journal article)
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.xPhenotypic profiling of keloid scars using FT-IR microspectroscopy reveals a unique spectral signature (Journal article)
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/s00403-010-1071-2Raman chemical mapping reveals site of action of HIV protease inhibitors in HPV16 E6 expressing cervical carcinoma cells (Journal article)
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/s00216-010-4283-6Rapid Characterization of <i>N</i>-linked Glycans from Secreted and Gel-Purified Monoclonal Antibodies Using MALDI-ToF Mass Spectrometry (Journal article)
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.22879Phenotypic 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 (Journal article)
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.00912-10Multiobjective evolutionary optimisation for surface-enhanced Raman scattering (Journal article)
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-zNovel noninvasive identification of biomarkers by analytical profiling of chronic wounds using volatile organic compounds (Journal article)
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.xVOC-based metabolic profiling for food spoilage detection with the application to detecting Salmonella typhimurium-contaminated pork (Journal article)
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-zRapid Monitoring of Recombinant Antibody Production by Mammalian Cell Cultures Using Fourier Transform Infrared Spectroscopy and Chemometrics (Journal article)
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.22707Evaluation of extraction processes for intracellular metabolite profiling of mammalian cells: matching extraction approaches to cell type and metabolite targets (Journal article)
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/s11306-010-0216-9Monitoring the Succinate Dehydrogenase Activity Isolated from Mitochondria by Surface Enhanced Raman Scattering (Journal article)
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/jp908950xQuantitative Analysis of the Banned Food Dye Sudan-1 Using Surface Enhanced Raman Scattering with Multivariate Chemometrics (Journal article)
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/jp908892nDual metabolomics: A novel approach to understanding plant-pathogen interactions (Journal article)
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.2010.01.006Monitoring the Effects of Chiral Pharmaceuticals on Aquatic Microorganisms by Metabolic Fingerprinting (Journal article)
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.02395-09SERUM METABOLITE PROFILES DIFFERENTIATE CROHN'S DISEASE FROM ULCERATIVE COLITIS AND FROM HEALTHY CONTROLS (Conference Paper)
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.2009.209031sAn overflow of… what else but metabolism! (Journal article)
Goodacre, R. (2010). An overflow of… what else but metabolism!. Metabolomics, 6(1), 1-2. doi:10.1007/s11306-010-0201-3Impact of Silver(I) on the Metabolism of <i>Shewanella oneidensis</i> (Journal article)
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.01277-09Metabolic acclimation to hypoxia revealed by metabolite gradients in melon fruit (Journal article)
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.2009.08.010An Introduction to Liquid Chromatography-Mass Spectrometry Instrumentation Applied in Plant Metabolomic Analyses (Journal article)
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.1187Assessment 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 (Journal article)
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/b918163fCombining metabolic fingerprinting and footprinting to understand the phenotypic response of HPV16 E6 expressing cervical carcinoma cells exposed to the HIV anti-viral drug lopinavir (Journal article)
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/b923046gFourier transform infrared spectroscopy and multivariate analysis for the detection and quantification of different milk species (Journal article)
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.2010-3619Non-invasive metabolomic analysis of breath using differential mobility spectrometry in patients with chronic obstructive pulmonary disease and healthy smokers (Journal article)
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/b916374cSerum Metabolite Profiles Differentiate Crohn's Disease From Ulcerative Colitis and From Healthy Controls (Conference Paper)
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 (Conference Paper)
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 (Journal article)
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)70005-82009
Inter-laboratory reproducibility of fast gas chromatography-electron impact-time of flight mass spectrometry (GC-EI-TOF/MS) based plant metabolomics (Journal article)
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-zDevelopment and Performance of a Gas Chromatography-Time-of-Flight Mass Spectrometry Analysis for Large-Scale Nontargeted Metabolomic Studies of Human Serum (Journal article)
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/ac9011599Biomarkers of Dietary Energy Restriction in Women at Increased Risk of Breast Cancer (Journal article)
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-09-0008Quantitative analysis of methyl green using surface-enhanced resonance Raman scattering (Journal article)
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 (Journal article)
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/ac9001996Discrimination of bacteria using pyrolysis-gas chromatography-differential mobility spectrometry (Py-GC-DMS) and chemometrics (Journal article)
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/b812666fEffective Quenching Processes for Physiologically Valid Metabolite Profiling of Suspension Cultured Mammalian Cells (Journal article)
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/ac8016899Explanatory multivariate analysis of ToF-SIMS spectra for the discrimination of bacterial isolates (Journal article)
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/b907570dImaging mass spectrometry using chemical inkjet printing reveals differential protein expression in human oral squamous cell carcinoma (Journal article)
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/b812533cMass spectrometry tools and metabolite-specific databases for molecular identification in metabolomics (Journal article)
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/b901179jMetabolomic analysis of the interaction between plants and herbivores (Journal article)
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/s11306-008-0124-4Optimizing CHO Cell Culture Conditions (Journal article)
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 (Conference Paper)
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 (Conference Paper)
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. IEEE. doi:10.1109/icosp.2008.4697709Surface-enhanced Raman scattering from intracellular and extracellular bacterial locations (Journal article)
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/ac800838vAccumulation of ionic liquids in <i>Escherichia coli</i> cells (Journal article)
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/b807214kDissecting the mechanisms of environmental stress adaptation: A systems biology approach (Conference Paper)
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.2008.04.012Relatedness of medically important strains of <i>Saccharomyces cerevisiae</i> as revealed by phylogenetics and metabolomics (Journal article)
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.1601Using a biphasic ionic liquid/water reaction system to improve oxygenase-catalysed biotransformation with whole cells (Journal article)
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/b716602hCharacterisation and identification of bacteria using SERS (Journal article)
Jarvis, R. M., & Goodacre, R. (2008). Characterisation and identification of bacteria using SERS. CHEMICAL SOCIETY REVIEWS, 37(5), 931-936. doi:10.1039/b705973fChemical and bioanalytical applications of surface enhanced Raman scattering spectroscopy (Journal article)
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/b804297gGlobal metabolic profiling of <i>Escherichia coli</i> cultures:: An evaluation of methods for quenching and extraction of intracellular metabolites (Journal article)
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/ac7023409Subsurface biomolecular imaging of <i>Streptomyces coelicolor</i> using secondary ion mass spectrometry (Journal article)
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/ac701921eBiomarker metabolites capturing the metabolite variance present in a rice plant developmental period (Journal article)
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.xMultiplexed detection of six labelled oligonucleotides using surface enhanced resonance Raman scattering (SERRS) (Journal article)
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/b800506kRapid and quantitative detection of the microbial spoilage in milk using Fourier transform infrared spectroscopy and chemometrics (Journal article)
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/b804439bRegression analysis for supply chain logged data: A simulated case study on shelf life prediction (Conference Paper)
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> (Journal article)
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/b809441aTowards quantitatively reproducible substrates for SERS (Journal article)
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/b800340h2007
Comparison of five xylan synthesis mutants reveals new insight into the mechanisms of xylan synthesis (Journal article)
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.xFrom phenotype to genotype: whole tissue profiling for plant breeding (Journal article)
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/s11306-007-0062-6Proposed minimum reporting standards for chemical analysis (Journal article)
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/s11306-007-0082-2Proposed minimum reporting standards for data analysis in metabolomics (Journal article)
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/s11306-007-0081-3Metabolic fingerprinting as a diagnostic tool (Journal article)
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:10.2217/14622416.8.9.1243The metabolomics standards initiative (MSI) (Journal article)
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/s11306-007-0070-6Metabolic footprinting as a tool for discriminating between brewing yeasts (Journal article)
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.1499The metabolomics standards initiative (Journal article)
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/nbt0807-846bLaser desorption/ionization mass spectrometry on porous silicon for metabolome analyses: influence of surface oxidation (Journal article)
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.3078Quantitative detection of metabolites using matrix-assisted laser desorption/ionization mass spectrometry with 9-aminoacridine as the matrix (Journal article)
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.3063Rapid methods (Chapter)
van Amerongen, A., Barug, D., & Lauwaars, M. (Eds.) (2007). Rapid methods. In . Wageningen Academic Publishers. doi:10.3920/978-90-8686-606-9Metabolomics of a superorganism (Conference Paper)
Goodacre, R. (2007). Metabolomics of a superorganism. In JOURNAL OF NUTRITION Vol. 137 (pp. 259S-266S). doi:10.1093/jn/137.1.259SPredicting human embryo viability: the road to non-invasive analysis of the secretome using metabolic footprinting (Journal article)
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)60342-2Proteome and metabolome analyses for monitoring food quality and authenticity (Chapter)
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 (Journal article)
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/b702944f2006
Rapid characterization of microbial biodegradation pathways by FT-IR spectroscopy (Journal article)
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.2006.04.009PYCHEM: a multivariate analysis package for python (Journal article)
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/btl416Surface-enhanced Raman scattering for the rapid discrimination of bacteria (Journal article)
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/b506413aMetabolic fingerprints of <i>Mycobacterium bovis</i> cluster with molecular type:: implications for genotype-phenotype links (Journal article)
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.0.28986-0Metabolic fingerprints of Mycobacterium bovis cluster with molecular type: implications for genotype-phenotype links. (Journal article)
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.0.28986-0Metabolomics: Current technologies and future trends (Journal article)
Hollywood, K., Brison, D. R., & Goodacre, R. (2006). Metabolomics: Current technologies and future trends. PROTEOMICS, 6(17), 4716-4723. doi:10.1002/pmic.200600106Using metabolic fingerprinting of plants for evaluating nitrogen deposition impacts on the landscape level (Journal article)
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.xRapid discrimination of the causal agents of urinary tract infection using ToF-SIMS with chemometric cluster analysis (Conference Paper)
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.2006.02.153ToF-SIMS studies of <i>Bacillus</i> using multivariate analysis with possible identification and taxonomic applications (Conference Paper)
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.2006.02.237Rapid analysis of microbiological systems using SERS (Journal article)
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> (Journal article)
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.xMatrix-suppressed laser desorption/ionisation mass spectrometry and its suitability for metabolome analyses (Journal article)
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.2434Metabonomic evaluation of idiosyncrasy-like liver injury in rats cotreated with ranitidine and lipopolysaccharide (Journal article)
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.2005.06.021Metabonomic evaluation of idiosyncrasy-like liver injury in rats cotreated with ranitidine and lipopolysaccharide. (Journal article)
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.2005.06.021The use of chemical profiling for monitoring metabolic changes in artificial soil slurries caused by horizontal gene transfer (Journal article)
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/s11306-005-0011-1The rapid differentiation of <i>Streptomyces</i> isolates using Fourier transform infrared spectroscopy (Journal article)
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.2005.09.006Direct infusion electrospray ionization mass spectra of crude cell extracts for microbial characterizations: influence of solvent conditions on the detection of proteins (Journal article)
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.2263An improved fluorescent amplified fragment length polymorphism method for typing <i>Mycobacterium tuberculosis</i> (Journal article)
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.44.1.288-289.2006Differentiation of peats used in the preparation of malt for Scotch whisky production using Fourier transform infrared spectroscopy (Journal article)
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.xMetabolic fingerprinting in disease diagnosis: biomedical applications of infrared and Raman spectroscopy (Journal article)
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/b602376mQuantitative detection and identification methods for microbial spoilage (Chapter)
Ellis, D. I., & Goodacre, R. (2006). Quantitative detection and identification methods for microbial spoilage. In Food Spoilage Microorganisms (pp. 3-27). Elsevier. doi:10.1533/9781845691417.1.3The characterisation of <i>Arabidopsis</i> secondary cell wall synthesis using microarrays and metabolic fingerprinting (Conference Paper)
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. (Conference Paper)
Goodacre, R. (2005). Metabolomics shows the way to new discoveries.. In Genome biology Vol. 6 (pp. 354). doi:10.1186/gb-2005-6-11-354Introduction (Book)
Vaidyanathan, S., Harrigan, G. G., & Goodacre, R. (2005). Introduction. Springer US. doi:10.1007/0-387-25240-1_1Metabolome analyses: Strategies for systems biology (Book)
Vaidyanathan, S., Harrigan, G. G., & Goodacre, R. (2005). Metabolome analyses: Strategies for systems biology. doi:10.1007/0-387-25240-1DISCRIMINATION AND IDENTIFICATION OF MICROORGANISMS BY PYROLYSIS MASS SPECTROMETRY: FROM BURNING AMBITIONS TO COOLING EMBERS-A HISTORICAL PERSPECTIVE (Chapter)
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 (Chapter)
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 (Journal article)
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-xMetabolic fingerprinting for bio-indication of nitrogen responses in <i>Calluna vulgaris</i> heath communities (Journal article)
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/s11306-005-0004-0Monitoring the mode of action of antibiotics using Raman spectroscopy:: Investigating subinhibitory effects of amikacin on <i>Pseudomonas aeruginosa</i> (Journal article)
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/ac048147mGenetic algorithm optimization for pre-processing and variable selection of spectroscopic data (Journal article)
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/bti102A metabolome pipeline: from concept to data to knowledge (Journal article)
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/s11306-005-1106-4Metabolomics - the way forward (Journal article)
Goodacre, R. (2005). Metabolomics - the way forward. METABOLOMICS, 1(1), 1-2. doi:10.1007/s11306-005-1111-7Biomarker discovery using metabolomics and explanatory machine learning. (Conference Paper)
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. (Conference Paper)
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 (Journal article)
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.105.031542Making sense of the metabolome using evolutionary computation: seeing the wood with the trees (Conference Paper)
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/eri043Metabolomic investigations using laser desorption ionisation mass spectrometry on porous silicon (Conference Paper)
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 (Journal article)
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/b511484eRapid monitoring of antibiotics using Raman and surface enhanced Raman spectroscopy (Journal article)
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/b502540kUnderstanding the behaviour of pathogenic cells: proteome and metabolome analyses (Chapter)
Vaidyanathan, S., & Goodacre, R. (2005). Understanding the behaviour of pathogenic cells: proteome and metabolome analyses. In Understanding Pathogen Behaviour (pp. 3-52). Elsevier. doi:10.1533/9781845690229.1.32004
A proposed framework for the description of plant metabolomics experiments and their results (Journal article)
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/nbt1041Applying Metabolic Fingerprinting to Ecology: The Use of Fourier-Transform Infrared Spectroscopy for the Rapid Screening of Plant Responses to N Deposition (Journal article)
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-zDifferentiation 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 (Journal article)
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.70.11.6619-6627.2004A Structural and Chemical Analyser (SCA) Identification of Bacteria Labelled by Metallic Nanoparticles (Conference Paper)
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/s1431927604882886Enhancing Raman Spectroscopy for the Rapid Characterisation of Microorganisms (Conference Paper)
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/s1431927604883946Selective detection of proteins in mixtures using electrospray ionization mass spectrometry: Influence of instrumental settings and implications for proteomics (Journal article)
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. (Journal article)
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 (Journal article)
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/ac049663fRapid and quantitative detection of the microbial spoilage of beef by Fourier transform infrared spectroscopy and machine learning (Journal article)
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.2004.03.060Metabolomics by numbers: acquiring and understanding global metabolite data (Journal article)
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.2004.03.007Ultra-violet resonance Raman spectroscopy for the rapid discrimination of urinary tract infection bacteria (Journal article)
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)00040-0Metabolic profiling: pathways in discovery. (Journal article)
Goodacre, R. (2004). Metabolic profiling: pathways in discovery.. Drug discovery today, 9(6), 260-261. doi:10.1016/s1359-6446(04)03027-2Application of high-throughput Fourier-transform infrared spectroscopy in toxicology studies: contribution to a study on the development of an animal model for idiosyncratic toxicity (Journal article)
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.2003.09.011Characterization of microorganisms using UV resonance Raman spectroscopy and chemometrics (Journal article)
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/ac035110dComparison of diffuse-reflectance absorbance and attenuated total reflectance FT-IR for the discrimination of bacteria (Journal article)
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/b408169bDiscrimination of bacteria using surface-enhanced Raman spectroscopy (Journal article)
Jarvis, R. M., & Goodacre, R. (2004). Discrimination of bacteria using surface-enhanced Raman spectroscopy. ANALYTICAL CHEMISTRY, 76(1), 40-47. doi:10.1021/ac034689cThe rapid identification of <i>Acinetobacter</i> species using Fourier transform infrared spectroscopy (Journal article)
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.xWhole-organism fingerprinting of the genus <i>Carnobacterium</i> using Fourier transform infrared spectroscopy (FT-IR) (Journal article)
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:10.1078/0723202043228818082003
Explanatory optimization of protein mass spectrometry via genetic search (Journal article)
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/ac034669aRapid quantitative assessment of the adulteration of virgin olive oils with hazelnut oils using Raman spectroscopy and chemometrics (Journal article)
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/jf034493dExplanatory analysis of spectroscopic data using machine learning of simple, interpretable rules (Conference Paper)
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)00045-6Functional genomics via metabolic footprinting:: monitoring metabolite secretion by <i>Escherichia coli</i> tryptophan metabolism mutants using FT-IR and direct injection electrospray mass spectrometry (Journal article)
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.302Investigating plant-plant interference by metabolic fingerprinting (Journal article)
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)00288-7Chemometric discrimination of unfractionated plant extracts analyzed by electrospray mass spectrometry (Journal article)
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)00718-5Food quality and microbial succession in ageing earthworm casts: standard microbial indices and metabolic fingerprinting (Conference Paper)
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:10.1078/0031-4056-00276Metabolic fingerprinting of salt-stressed tomatoes (Journal article)
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)00722-7Metabolite and protein profiling of whole cells using soft-ionization mass spectrometry for rapid microbial characterization. (Conference Paper)
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 (Chapter)
Vaidyanathan, S., & Goodacre, R. (2003). Proteome and metabolome analyses for food authentication. In Food Authenticity and Traceability (pp. 71-100). doi:10.1533/9781855737181.1.71UV-B radiation induced changes in litter quality affects earthworm growth and cast characteristics as determined by metabolic fingerprinting (Conference Paper)
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-XUse of earthworm casts to validate FT-IR spectroscopy as a 'sentinel' technology for high-throughput monitoring of global changes in microbial ecology (Conference Paper)
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:10.1078/0031-4056-002102002
Metabolic profiling using direct infusion electrospray ionisation mass spectrometry for the characterisation of olive oils (Journal article)
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/b206037jFingerprint spectrometry methods in <i>Bacillus</i> systematics (Chapter)
Magee, J. T., & Goodacre, R. (2002). Fingerprint spectrometry methods in <i>Bacillus</i> systematics. In Unknown Book (pp. 254-270). doi:10.1002/9780470696743.ch17Fluorescent amplified fragment length polymorphism probabilistic database for identification of bacterial isolates from urinary tract infections (Journal article)
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.40.8.2795-2800.2002Sample preparation in matrix-assisted laser desorption ionization mass spectrometry of whole bacterial cells and the detection of high mass (>20 kDa) proteins (Journal article)
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.713Rapid and quantitative detection of the microbial spoilage of meat by Fourier transform infrared spectroscopy and machine learning (Journal article)
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.68.6.2822-2828.2002Monitoring of complex industrial bioprocesses for metabolite concentrations using modern spectroscopies and machine learning: Application to gibberellic acid production (Journal article)
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 (Journal article)
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:10.1366/0003702021954980Flow-injection electrospray ionization mass spectrometry of crude cell extracts for high-throughput bacterial identification (Journal article)
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)00339-7Rapid, high-throughput microbial characterization by metabolite and protein profiling of whole cells using soft-ionization mass spectrometry. (Conference Paper)
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 (Journal article)
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.7000146Discrimination of aerobic endospore-forming bacteria via electrospray-ionization mass spectrometry of whole cell suspensions (Journal article)
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/ac0103524Contribution of pyrolysis-mass spectrometry (Py-MS) to authenticity testing of honey (Journal article)
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)00163-7Fourier transform infrared spectroscopy and chemometrics as a tool for the rapid detection of other vegetable fats mixed in cocoa butter (Journal article)
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-xRapid and quantitative detection of the microbial spoilage of muscle foods: current status and future trends (Journal article)
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)00019-52000
Fourier transform infrared spectroscopy of follicular fluids from large and small antral follicles (Journal article)
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/15.8.1667Detection of the dipicolinic acid biomarker in <i>Bacillus</i> spores using Curie-point pyrolysis mass spectrometry and fourier transform infrared spectroscopy (Journal article)
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/ac990661iIntelligent systems for the characterization of microorganisms from hyperspectral data (Conference Paper)
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. (Journal article)
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_31999
Intelligent systems for the characterisation and quantification of microbial systems from advanced analytical techniques (Conference Paper)
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:10.1117/12.372851Rapid 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 article)
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)00128-5Characterisation of intact microorganisms using electrospray ionisation mass spectrometry (Journal article)
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)00212-8Characterisation of intact microorganisms using electrospray ionisation mass spectrometry (Journal article)
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)00212-8Fourier transform infra-red (FT-IR) spectroscopy of follicular fluids from antral follicles (Conference Paper)
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-bChemometric analyses with self organising feature maps: a worked example of the analysis of cosmetics using Raman spectroscopy. (Conference Paper)
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/B978-044450270-4/50027-9Noninvasive, on-line monitoring of the biotransformation by yeast of glucose to ethanol using dispersive Raman spectroscopy and chemometrics (Journal article)
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:10.1366/0003702991945777The detection of caffeine in a variety of beverages using Curie-point pyrolysis mass spectrometry and genetic programming (Journal article)
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/a901062i1998
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. (Conference Paper)
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 (Journal article)
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 (Journal article)
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:10.1122/1.550967Variable selection in discriminant partial least-squares analysis (Journal article)
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/ac980506oDifferentiation of brewing yeast strains by pyrolysis mass spectrometry and Fourier transform infrared spectroscopy (Journal article)
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-GDOI: 10.1002/(SICI)1097-0061(199807)14:10<885::AID-YEA286>3.0.CO;2-G