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Publications

Selected publications

  1. Procedures for large-scale metabolic profiling of serum and plasma using gas chromatography and liquid chromatography coupled to mass spectrometry (Journal article - 2011)
  2. Metabolomics by numbers: acquiring and understanding global metabolite data (Journal article - 2004)
  3. 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)
  4. Recent developments in quantitative SERS: Moving towards absolute quantification (Journal article - 2018)
  5. 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

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.

Lima, C., Muhamadali, H., & Goodacre, R. (2023). Monitoring Phenotype Heterogeneity at the Single-Cell Level within <i>Bacillus</i> Populations Producing Poly-3-hydroxybutyrate by Label-Free Super-resolution Infrared Imaging.. Analytical chemistry, 95(48), 17733-17740. doi:10.1021/acs.analchem.3c03595

DOI
10.1021/acs.analchem.3c03595
Journal article

Focusing Ion Funnel-assisted Ambient Electrospray enables High-Density and Uniform Deposition of Non-spherical Gold Nanoparticles for Highly Sensitive Surface-enhanced Raman Scattering

Akbali, B., Boisdon, C., Smith, B., Chaisrikhwun, B., Wongravee, K., Vilaivan, T., . . . Maher, S. (2023). Focusing Ion Funnel-assisted Ambient Electrospray enables High-Density and Uniform Deposition of Non-spherical Gold Nanoparticles for Highly Sensitive Surface-enhanced Raman Scattering. The Analyst. doi:10.1039/d3an01021j

DOI
10.1039/d3an01021j
Journal article

Metabolomics of <i>Escherichia coli</i> for Disclosing Novel Metabolic Engineering Strategies for Enhancing Hydrogen and Ethanol Production

Valle, A., de la Calle, M. E., Muhamadali, H., Hollywood, K. A., Xu, Y., Lloyd, J. R., . . . Bolivar, J. (2023). Metabolomics of <i>Escherichia coli</i> for Disclosing Novel Metabolic Engineering Strategies for Enhancing Hydrogen and Ethanol Production. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 24(14). doi:10.3390/ijms241411619

DOI
10.3390/ijms241411619
Journal article

Unlocking the secrets of the microbiome: exploring the dynamic microbial interplay with humans through metabolomics and their manipulation for synthetic biology applications.

Muhamadali, H., Winder, C. L., Dunn, W. B., & Goodacre, R. (2023). Unlocking the secrets of the microbiome: exploring the dynamic microbial interplay with humans through metabolomics and their manipulation for synthetic biology applications.. The Biochemical journal, 480(12), 891-908. doi:10.1042/bcj20210534

DOI
10.1042/bcj20210534
Journal article

Monitoring glucose levels in urine using FTIR spectroscopy combined with univariate and multivariate statistical methods

Caixeta, D. C., Lima, C., Xu, Y., Guevara-Vega, M., Espindola, F. S., Goodacre, R., . . . Sabino-Silva, R. (2023). Monitoring glucose levels in urine using FTIR spectroscopy combined with univariate and multivariate statistical methods. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 290. doi:10.1016/j.saa.2022.122259

DOI
10.1016/j.saa.2022.122259
Journal article

A proposed framework to evaluate the quality and reliability of targeted metabolomics assays from the UK Consortium on Metabolic Phenotyping (MAP/UK).

Sarmad, S., Viant, M. R., Dunn, W. B., Goodacre, R., Wilson, I. D., Chappell, K. E., . . . UK Consortium on Metabolic Phenotyping (MAP/UK). (2023). A proposed framework to evaluate the quality and reliability of targeted metabolomics assays from the UK Consortium on Metabolic Phenotyping (MAP/UK).. Nature protocols. doi:10.1038/s41596-022-00801-8

DOI
10.1038/s41596-022-00801-8
Journal article

Optical photothermal infrared spectroscopy: A novel solution for rapid identification of antimicrobial resistance at the single-cell level <i>via</i> deuterium isotope labeling

Shams, S., Lima, C., Xu, Y., Ahmed, S., Goodacre, R., & Muhamadali, H. (2023). Optical photothermal infrared spectroscopy: A novel solution for rapid identification of antimicrobial resistance at the single-cell level <i>via</i> deuterium isotope labeling. FRONTIERS IN MICROBIOLOGY, 14. doi:10.3389/fmicb.2023.1077106

DOI
10.3389/fmicb.2023.1077106
Journal article

Non-invasive infrared spectroscopy of aqueous humour samples in glaucoma compared to controls

Vallabh, N. A., Lima, C., Levis, H., Muntasser, H., Kaye, S., & Goodacre, R. (2023). Non-invasive infrared spectroscopy of aqueous humour samples in glaucoma compared to controls. In INVESTIGATIVE OPHTHALMOLOGY & VISUAL SCIENCE Vol. 64. Retrieved from https://www.webofscience.com/

Conference Paper

2022

Microbial volatiles as diagnostic biomarkers of bacterial lung infection in mechanically ventilated patients.

Ahmed, W. M., Fenn, D., White, I. R., Dixon, B., Nijsen, T. M. E., Knobel, H. H., . . . BreathDx Consortium. (2022). Microbial volatiles as diagnostic biomarkers of bacterial lung infection in mechanically ventilated patients.. Clinical infectious diseases : an official publication of the Infectious Diseases Society of America, ciac859. doi:10.1093/cid/ciac859

DOI
10.1093/cid/ciac859
Journal article

Reference materials for MS-based untargeted metabolomics and lipidomics: a review by the metabolomics quality assurance and quality control consortium (mQACC).

Lippa, K. A., Aristizabal-Henao, J. J., Beger, R. D., Bowden, J. A., Broeckling, C., Beecher, C., . . . Ubhi, B. K. (2022). Reference materials for MS-based untargeted metabolomics and lipidomics: a review by the metabolomics quality assurance and quality control consortium (mQACC).. Metabolomics : Official journal of the Metabolomic Society, 18(4), 24. doi:10.1007/s11306-021-01848-6

DOI
10.1007/s11306-021-01848-6
Journal article

NEWS: The 2022 Metabolomics publication awards.

Goodacre, R. (2022). NEWS: The 2022 Metabolomics publication awards.. Metabolomics : Official journal of the Metabolomic Society, 18(4), 22. doi:10.1007/s11306-022-01882-y

DOI
10.1007/s11306-022-01882-y
Journal article

Comparative analysis of serum obtained in early pregnancy using Fourier transform-infrared spectroscopy to predict tubal ectopic pregnancy and miscarriage

Lima, C., Dutton, P., Hill, C., Busuulwa, P., Goodacre, R., & Hapangama, D. (2022). Comparative analysis of serum obtained in early pregnancy using Fourier transform-infrared spectroscopy to predict tubal ectopic pregnancy and miscarriage. In HUMAN REPRODUCTION Vol. 37 (pp. I395-I396). Retrieved from https://www.webofscience.com/

Conference Paper

Predicting tubal ectopic pregnancy and miscarriage in serum using Fourier transform-infrared spectroscopy

Dutton, P., Lima, C., Hill, C., Busuulwa, P., Goodacre, R., & Hapangama, D. (2022). Predicting tubal ectopic pregnancy and miscarriage in serum using Fourier transform-infrared spectroscopy. In BJOG-AN INTERNATIONAL JOURNAL OF OBSTETRICS AND GYNAECOLOGY Vol. 129 (pp. 19-20). Retrieved from https://www.webofscience.com/

Conference Paper

Rapid spectroscopic liquid biopsy for the early detection of brain tumors.

Sala, A., Theakstone, A. G., Brennan, P. M., Jenkinson, M. D., Mills, S. J., Syed, K., . . . Baker, M. J. (2022). Rapid spectroscopic liquid biopsy for the early detection of brain tumors.. In CANCER RESEARCH Vol. 82. Retrieved from https://www.webofscience.com/

Conference Paper

Small and low-grade glioma detections using serum-based ATR-FTIR

Theakstone, A., Brennan, P., Jenkinson, M., Goodacre, R., & Baker, M. (2022). Small and low-grade glioma detections using serum-based ATR-FTIR. In JOURNAL OF CEREBRAL BLOOD FLOW AND METABOLISM Vol. 42 (pp. 142-143). Retrieved from https://www.webofscience.com/

Conference Paper

Untargeted Molecular Analysis of Exhaled Breath as a Diagnostic Test for Ventilator-Associated Lower Respiratory Tract Infections (BreathDx)

van Oort, P. M. P., Nijsen, T. M., White, I. R., Knobel, H. H., Felton, T., Rattray, N., . . . Bos, L. D. (2022). Untargeted Molecular Analysis of Exhaled Breath as a Diagnostic Test for Ventilator-Associated Lower Respiratory Tract Infections (BreathDx). THORAX, 77(1), 79-81. doi:10.1136/thoraxjnl-2021-217362

DOI
10.1136/thoraxjnl-2021-217362
Journal article

2021

Assessing the impact of nitrogen supplementation in oats across multiple growth locations and years with targeted phenotyping and high-resolution metabolite profiling approaches.

Allwood, J. W., Martinez-Martin, P., Xu, Y., Cowan, A., Pont, S., Griffiths, I., . . . Howarth, C. (2021). Assessing the impact of nitrogen supplementation in oats across multiple growth locations and years with targeted phenotyping and high-resolution metabolite profiling approaches. FOOD CHEMISTRY, 355. doi:10.1016/j.foodchem.2021.129585

DOI
10.1016/j.foodchem.2021.129585
Journal article

Understanding the Metabolomics of Uveal Melanoma

Matareed, M., Figueiredo, C., Muhamadali, H., Goodacre, R., Muelas, M. W., Kalirai, H., & Coupland, S. E. (2021). Understanding the Metabolomics of Uveal Melanoma. In JOURNAL OF PATHOLOGY Vol. 255 (pp. S54). Retrieved from https://www.webofscience.com/

Conference Paper

The 2021 Metabolomics publication awards.

Goodacre, R. (2021). The 2021 Metabolomics publication awards.. Metabolomics : Official journal of the Metabolomic Society, 17(4), 35. doi:10.1007/s11306-021-01785-4

DOI
10.1007/s11306-021-01785-4
Journal article

Simultaneous quantification of the boar-taint compounds skatole and androstenone by surface-enhanced Raman scattering (SERS) and multivariate data analysis

Sorensen, K. M., Westley, C., Goodacre, R., & Engelsen, S. B. (2015). Simultaneous quantification of the boar-taint compounds skatole and androstenone by surface-enhanced Raman scattering (SERS) and multivariate data analysis. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 407(25), 7787-7795. doi:10.1007/s00216-015-8945-2

DOI
10.1007/s00216-015-8945-2
Journal article

2020

Sensitive and selective detection of DNA fragments associated with Ganoderma boninense by DNA-nanoparticle conjugate hybridisation

Rani, E., Mohshim, S. A., Yusof, N. H., Ahmad, M. Z., Goodacre, R., Alang Ahmad, S. A., & Wong, L. S. (2020). Sensitive and selective detection of DNA fragments associated with Ganoderma boninense by DNA-nanoparticle conjugate hybridisation. Journal of Materials Science, 55(30), 14965-14979. doi:10.1007/s10853-020-05058-8

DOI
10.1007/s10853-020-05058-8
Journal article

Surface Enhanced Raman Spectroscopy for quantitative analysis: results of a large-scale European multi-instrument interlaboratory study.

Fornasaro, S., Alsamad, F., Baia, M., Batista de Carvalho, L. A. E., Beleites, C., Byrne, H. J., . . . Bonifacio, A. (2020). Surface Enhanced Raman Spectroscopy for Quantitative Analysis: Results of a Large-Scale European Multi-Instrument Interlaboratory Study. ANALYTICAL CHEMISTRY, 92(5), 4053-4064. doi:10.1021/acs.analchem.9b05658

DOI
10.1021/acs.analchem.9b05658
Journal article

Development of a sensor device with polymer-coated piezoelectric micro-cantilevers for detection of volatile organic compounds

Ahmed, W. M., Steenwelle, R. J. A., Knobel, H. H., Davie, A., Steijvers, R., Verhoeckx, F., . . . Nijsen, T. M. (2020). Development of a sensor device with polymer-coated piezoelectric micro-cantilevers for detection of volatile organic compounds. Measurement Science and Technology, 31(3), 035103. doi:10.1088/1361-6501/ab4f2f

DOI
10.1088/1361-6501/ab4f2f
Journal article

A microbiome and metabolomic signature of phases of cutaneous healing identified by profiling sequential acute wounds of human skin: An exploratory study

Ashrafi, M., Xu, Y., Muhamadali, H., White, I., Wilkinson, M., Hollywood, K., . . . Bayat, A. (2020). A microbiome and metabolomic signature of phases of cutaneous healing identified by profiling sequential acute wounds of human skin: An exploratory study. PLOS ONE, 15(2). doi:10.1371/journal.pone.0229545

DOI
10.1371/journal.pone.0229545
Journal article

The role of metabolomics in personalized medicine

Trivedi, D. K., & Goodacre, R. (2020). The role of metabolomics in personalized medicine. In Metabolomics for Biomedical Research (pp. 227-244). Elsevier. doi:10.1016/b978-0-12-812784-1.00011-6

DOI
10.1016/b978-0-12-812784-1.00011-6
Chapter

2019

Global metabolite profiles of rice brown planthopper-resistant traits reveal potential secondary metabolites for both constitutive and inducible defenses

Uawisetwathana, U., Chevallier, O. P., Xu, Y., Kamolsukyeunyong, W., Nookaew, I., Somboon, T., . . . Karoonuthaisiri, N. (2019). Global metabolite profiles of rice brown planthopper-resistant traits reveal potential secondary metabolites for both constitutive and inducible defenses. METABOLOMICS, 15(12). doi:10.1007/s11306-019-1616-0

DOI
10.1007/s11306-019-1616-0
Journal article

Data mining and visualisation: general discussion

Afonso, C., Barrow, M. P., Davies, A. N., Delsuc, M. -A., Ebbels, T., Fernandez-Lima, F., . . . van der Hooft, J. J. J. (2019). Data mining and visualisation: general discussion. FARADAY DISCUSSIONS, 218, 354-371. doi:10.1039/C9FD90044F

DOI
10.1039/C9FD90044F
Journal article

Dealing with complexity: general discussion

Afonso, C., Barrow, M. P., Bell, N. G. A., Davies, A. N., Duca, D., Focsa, C., . . . van Zelst, F. H. M. (2019). Dealing with complexity: general discussion. FARADAY DISCUSSIONS, 218, 138-156. doi:10.1039/C9FD90055A

DOI
10.1039/C9FD90055A
Journal article

Future challenges and new approaches: general discussion

Afonso, C., Chaux, C., Davies, A. N., Delsuc, M. -A., Lima, F. F., Gauchotte-Lindsay, C., . . . van der Hooft, J. J. J. (2019). Future challenges and new approaches: general discussion. FARADAY DISCUSSIONS, 218, 505-523. doi:10.1039/c9fd90046b

DOI
10.1039/c9fd90046b
Journal article

High resolution techniques: general discussion

Adair, E., Afonso, C., Bell, N. G. A., Davies, A. N., Delsuc, M. -A., Godfrey, R., . . . Zherebker, A. (2019). High resolution techniques: general discussion. FARADAY DISCUSSIONS, 218, 247-267. doi:10.1039/c9fd90045d

DOI
10.1039/c9fd90045d
Journal article

Exhaled breath metabolomics reveals a pathogen-specific response in a rat pneumonia model for two human pathogenic bacteria: a proof-of-concept study.

van Oort, P. M., Brinkman, P., Slingers, G., Koppen, G., Maas, A., Roelofs, J. J., . . . Bos, L. D. (2019). Exhaled breath metabolomics reveals a pathogen-specific response in a rat pneumonia model for two human pathogenic bacteria: a proof-of-concept study.. American journal of physiology. Lung cellular and molecular physiology, 316(5), L751-L756. doi:10.1152/ajplung.00449.2018

DOI
10.1152/ajplung.00449.2018
Journal article

A MICROBIOME AND METABOLOMIC SIGNATURE OF PHASES OF CUTANEOUS HEALING IDENTIFIED BY PROFILING SEQUENTIAL ACUTE WOUNDS OF HUMAN SKIN

Ashrafi, M., Xu, Y., Muhamadali, H., White, I., Wilkinson, M., Holloywood, K., . . . Bayat, A. (2019). A MICROBIOME AND METABOLOMIC SIGNATURE OF PHASES OF CUTANEOUS HEALING IDENTIFIED BY PROFILING SEQUENTIAL ACUTE WOUNDS OF HUMAN SKIN. In WOUND REPAIR AND REGENERATION Vol. 27 (pp. A8). Retrieved from https://www.webofscience.com/

Conference Paper

2018

<i>Metabolomics</i> would like to thank all our referees for their support in 2018

Goodacre, R. (2018). <i>Metabolomics</i> would like to thank all our referees for their support in 2018. METABOLOMICS, 14(12). doi:10.1007/s11306-018-1455-4

DOI
10.1007/s11306-018-1455-4
Journal article

Mitochondrial aconitase is a key regulator of energy production for growth and protein expression in Chinese hamster ovary cells

Dhami, N., Trivedi, D. K., Goodacre, R., Mainwaring, D., & Humphreys, D. P. (2018). Mitochondrial aconitase is a key regulator of energy production for growth and protein expression in Chinese hamster ovary cells. METABOLOMICS, 14(10). doi:10.1007/s11306-018-1430-0

DOI
10.1007/s11306-018-1430-0
Journal article

Development of an adaptable headspace sampling method for metabolic profiling of the fungal volatome

Ahmed, W. M., Geranios, P., White, I. R., Lawal, O., Nijsen, T. M., Bromley, M. J., . . . Fowler, S. J. (2018). Development of an adaptable headspace sampling method for metabolic profiling of the fungal volatome. ANALYST, 143(17), 4155-4162. doi:10.1039/c8an00841h

DOI
10.1039/c8an00841h
Journal article

Volatile organic compound signature from co-culture of lung epithelial cell line with <i>Pseudomonas aeruginosa</i>

Lawal, O., Knobel, H., Weda, H., Bos, L. D., Nijsen, T. M. E., Goodacre, R., & Fowler, S. J. (2018). Volatile organic compound signature from co-culture of lung epithelial cell line with <i>Pseudomonas aeruginosa</i>. ANALYST, 143(13), 3148-3155. doi:10.1039/c8an00759d

DOI
10.1039/c8an00759d
Journal article

On Splitting Training and Validation Set: A Comparative Study of Cross-Validation, Bootstrap and Systematic Sampling for Estimating the Generalization Performance of Supervised Learning

Xu, Y., & Goodacre, R. (2018). On Splitting Training and Validation Set: A Comparative Study of Cross-Validation, Bootstrap and Systematic Sampling for Estimating the Generalization Performance of Supervised Learning. JOURNAL OF ANALYSIS AND TESTING, 2(3), 249-262. doi:10.1007/s41664-018-0068-2

DOI
10.1007/s41664-018-0068-2
Journal article

pH plays a role in the mode of action of trimethoprim on <i>Escherichia coli</i>

AlRabiah, H., Allwood, J. W., Correa, E., Xu, Y., & Goodacre, R. (2018). pH plays a role in the mode of action of trimethoprim on <i>Escherichia coli</i>. PLOS ONE, 13(7). doi:10.1371/journal.pone.0200272

DOI
10.1371/journal.pone.0200272
Journal article

A Novel Adaptation Mechanism Underpinning Algal Colonization of a Nuclear Fuel Storage Pond

MeGraw, V. E., Brown, A. R., Boothman, C., Goodacre, R., Morris, K., Sigee, D., . . . Lloyd, J. R. (2018). A Novel Adaptation Mechanism Underpinning Algal Colonization of a Nuclear Fuel Storage Pond. MBIO, 9(3). doi:10.1128/mBio.02395-17

DOI
10.1128/mBio.02395-17
Journal article

Guidelines and considerations for the use of system suitability and quality control samples in mass spectrometry assays applied in untargeted clinical metabolomic studies

Broadhurst, D., Goodacre, R., Reinke, S. N., Kuligowski, J., Wilson, I. D., Lewis, M. R., & Dunn, W. B. (2018). Guidelines and considerations for the use of system suitability and quality control samples in mass spectrometry assays applied in untargeted clinical metabolomic studies. METABOLOMICS, 14(6). doi:10.1007/s11306-018-1367-3

DOI
10.1007/s11306-018-1367-3
Journal article

Recent developments in quantitative SERS: Moving towards absolute quantification

Goodacre, R., Graham, D., & Faulds, K. (2018). Recent developments in quantitative SERS: Moving towards absolute quantification. TRAC-TRENDS IN ANALYTICAL CHEMISTRY, 102, 359-368. doi:10.1016/j.trac.2018.03.005

DOI
10.1016/j.trac.2018.03.005
Journal article

TD/GC-MS analysis of volatile markers emitted from mono- and co-cultures of <i>Enterobacter cloacae</i> and <i>Pseudomonas aeruginosa</i> in artificial sputum

Lawal, O., Knobel, H., Weda, H., Nijsen, T. M. E., Goodacre, R., & Fowler, S. J. (2018). TD/GC-MS analysis of volatile markers emitted from mono- and co-cultures of <i>Enterobacter cloacae</i> and <i>Pseudomonas aeruginosa</i> in artificial sputum. METABOLOMICS, 14(5). doi:10.1007/s11306-018-1357-5

DOI
10.1007/s11306-018-1357-5
Journal article

Clinical applications of infrared and Raman spectroscopy: state of play and future challenges

Baker, M. J., Byrne, H. J., Chalmers, J., Gardner, P., Goodacre, R., Henderson, A., . . . Sule-Suso, J. (2018). Clinical applications of infrared and Raman spectroscopy: state of play and future challenges. ANALYST, 143(8), 1735-1757. doi:10.1039/c7an01871a

DOI
10.1039/c7an01871a
Journal article

Clinical applications of infrared and Raman spectroscopy: state of play and future challenges (vol 143, pg 1934, 2018)

Baker, M. J., Byrne, H. J., Chalmers, J., Gardner, P., Goodacre, R., Henderson, A., . . . Sule-Suso, J. (2018). Clinical applications of infrared and Raman spectroscopy: state of play and future challenges (vol 143, pg 1934, 2018). ANALYST, 143(8), 1934. doi:10.1039/c8an90029a

DOI
10.1039/c8an90029a
Journal article

NEWS: the 2018 <i>Metabolomics</i> publication awards

Goodacre, R. (2018). NEWS: the 2018 <i>Metabolomics</i> publication awards. METABOLOMICS, 14(5). doi:10.1007/s11306-018-1353-9

DOI
10.1007/s11306-018-1353-9
Journal article

Elevated luteinizing hormone despite normal testosterone levels in older mennatural history, risk factors and clinical features

Eendebak, R. J. A. H., Ahern, T., Swiecicka, A., Pye, S. R., O'Neill, T. W., Bartfai, G., . . . Wu, F. C. W. (2018). Elevated luteinizing hormone despite normal testosterone levels in older mennatural history, risk factors and clinical features. CLINICAL ENDOCRINOLOGY, 88(3), 479-490. doi:10.1111/cen.13524

DOI
10.1111/cen.13524
Journal article

Improved Descriptors for the Quantitative Structure-Activity Relationship Modeling of Peptides and Proteins

Barley, M. H., Turner, N. J., & Goodacre, R. (2018). Improved Descriptors for the Quantitative Structure-Activity Relationship Modeling of Peptides and Proteins. JOURNAL OF CHEMICAL INFORMATION AND MODELING, 58(2), 234-243. doi:10.1021/acs.jcim.7b00488

DOI
10.1021/acs.jcim.7b00488
Journal article

Translation Stress Positively Regulates MscL-Dependent Excretion of Cytoplasmic Proteins

Morra, R., Del Carratore, F., Muhamadali, H., Horga, L. G., Halliwell, S., Goodacre, R., . . . Dixon, N. (2018). Translation Stress Positively Regulates MscL-Dependent Excretion of Cytoplasmic Proteins. MBIO, 9(1). doi:10.1128/mBio.02118-17

DOI
10.1128/mBio.02118-17
Journal article

Headspace volatile organic compounds from bacteria implicated in ventilator-associated pneumonia analysed by TD-GC/MS

Lawal, O., Muhamadali, H., Ahmed, W. M., White, I. R., Nijsen, T. M. E., Goodacre, R., & Fowler, S. J. (2018). Headspace volatile organic compounds from bacteria implicated in ventilator-associated pneumonia analysed by TD-GC/MS. JOURNAL OF BREATH RESEARCH, 12(2). doi:10.1088/1752-7163/aa8efc

DOI
10.1088/1752-7163/aa8efc
Journal article

Omics Methods For the Detection of Foodborne Pathogens

Ellis, D. I., Muhamadali, H., Chisanga, M., & Goodacre, R. (2019). Omics Methods For the Detection of Foodborne Pathogens. In Encyclopedia of Food Chemistry (pp. 364-370). Elsevier. doi:10.1016/b978-0-08-100596-5.21793-9

DOI
10.1016/b978-0-08-100596-5.21793-9
Chapter

2017

Towards improved quantitative analysis using surface-enhanced Raman scattering incorporating internal isotope labelling

Subaihi, A., Xu, Y., Muhamadali, H., Mutter, S. T., Blanch, E. W., Ellis, D. I., & Goodacre, R. (2017). Towards improved quantitative analysis using surface-enhanced Raman scattering incorporating internal isotope labelling. ANALYTICAL METHODS, 9(47), 6636-6644. doi:10.1039/c7ay02527k

DOI
10.1039/c7ay02527k
Journal article

SERS Detection of Multiple Antimicrobial-Resistant Pathogens Using Nanosensors.

Kearns, H., Goodacre, R., Jamieson, L. E., Graham, D., & Faulds, K. (2017). SERS Detection of Multiple Antimicrobial-Resistant Pathogens Using Nanosensors.. Analytical chemistry, 89(23), 12666-12673. doi:10.1021/acs.analchem.7b02653

DOI
10.1021/acs.analchem.7b02653
Journal article

Analytical SERS: general discussion

Aitchison, H., Aizpurua, J., Arnolds, H., Baumberg, J., Bell, S., Bonifacio, A., . . . Vikesland, P. (2017). Analytical SERS: general discussion. FARADAY DISCUSSIONS, 205, 561-600. doi:10.1039/C7FD90096A

DOI
10.1039/C7FD90096A
Journal article

SERS in biology/biomedical SERS: general discussion

Baumberg, J., Bell, S., Bonifacio, A., Chikkaraddy, R., Chisanga, M., Corsetti, S., . . . Wuytens, P. (2017). SERS in biology/biomedical SERS: general discussion. FARADAY DISCUSSIONS, 205, 429-456. doi:10.1039/c7fd90089a

DOI
10.1039/c7fd90089a
Journal article

Theory of SERS enhancement: general discussion

Graham, D., Goodacre, R., Arnolds, H., Masson, J. -F., Schatz, G., Baumberg, J., . . . Velleman, L. (2017). Theory of SERS enhancement: general discussion. FARADAY DISCUSSIONS, 205, 173-211. doi:10.1039/c7fd90095c

DOI
10.1039/c7fd90095c
Journal article

Ultrasensitive and towards single molecule SERS: general discussion

Aizpurua, J., Arnolds, H., Baumberg, J., Bruzas, I., Chikkaraddy, R., Chisanga, M., . . . Willner, M. (2017). Ultrasensitive and towards single molecule SERS: general discussion. FARADAY DISCUSSIONS, 205, 291-330. doi:10.1039/C7FD90088K

DOI
10.1039/C7FD90088K
Journal article

From Multistep Enzyme Monitoring to Whole-Cell Biotransformations: Development of Real-Time Ultraviolet Resonance Raman Spectroscopy

Fisk, H., Xu, Y., Westley, C., Turner, N. J., Micklefield, J., & Goodacre, R. (2017). From Multistep Enzyme Monitoring to Whole-Cell Biotransformations: Development of Real-Time Ultraviolet Resonance Raman Spectroscopy. ANALYTICAL CHEMISTRY, 89(22), 12527-12532. doi:10.1021/acs.analchem.7b03742

DOI
10.1021/acs.analchem.7b03742
Journal article

Exhaled Volatile Organic Compounds of Infection: A Systematic Review

Ahmed, W. M., Lawal, O., Nilsen, T. M., Goodacre, R., & Fowler, S. J. (2017). Exhaled Volatile Organic Compounds of Infection: A Systematic Review. ACS INFECTIOUS DISEASES, 3(10), 695-710. doi:10.1021/acsinfecdis.7b00088

DOI
10.1021/acsinfecdis.7b00088
Journal article

Increased intracellular proteolysis reduces disease severity in an ER stress-associated dwarfism

Mullan, L. A., Mularczyk, E. J., Kung, L. H., Forouhan, M., Wragg, J. M. A., Goodacre, R., . . . Boot-Handford, R. P. (2017). Increased intracellular proteolysis reduces disease severity in an ER stress-associated dwarfism. JOURNAL OF CLINICAL INVESTIGATION, 127(10), 3861-3865. doi:10.1172/JCI93094

DOI
10.1172/JCI93094
Journal article

Exhaled breath analysis: a review of 'breath-taking' methods for off-line analysis

Lawal, O., Ahmed, W. M., Nijsen, T. M. E., Goodacre, R., & Fowler, S. J. (2017). Exhaled breath analysis: a review of 'breath-taking' methods for off-line analysis. METABOLOMICS, 13(10). doi:10.1007/s11306-017-1241-8

DOI
10.1007/s11306-017-1241-8
Journal article

Objective assessment of SERS thin films: comparison of silver on copper via galvanic displacement with commercially available fabricated substrates

Mabbott, S., Xu, Y., & Goodacre, R. (2017). Objective assessment of SERS thin films: comparison of silver on copper via galvanic displacement with commercially available fabricated substrates. ANALYTICAL METHODS, 9(33), 4783-4789. doi:10.1039/c7ay01584d

DOI
10.1039/c7ay01584d
Journal article

Two Glycerol-3-Phosphate Dehydrogenases from <i>Chlamydomonas</i> Have Distinct Roles in Lipid Metabolism

Driver, T., Trivedi, D. K., McIntosh, O. A., Dean, A. P., Goodacre, R., & Pittman, J. K. (2017). Two Glycerol-3-Phosphate Dehydrogenases from <i>Chlamydomonas</i> Have Distinct Roles in Lipid Metabolism. PLANT PHYSIOLOGY, 174(4), 2083-2097. doi:10.1104/pp.17.00491

DOI
10.1104/pp.17.00491
Journal article

Quantitative Online Liquid Chromatography Surface-Enhanced Raman Scattering (LC-SERS) of Methotrexate and its Major Metabolites

Subaihi, A., Trivedi, D. K., Hollywood, K. A., Bluett, J., Xu, Y., Muhamadali, H., . . . Goodacre, R. (2017). Quantitative Online Liquid Chromatography Surface-Enhanced Raman Scattering (LC-SERS) of Methotrexate and its Major Metabolites. ANALYTICAL CHEMISTRY, 89(12), 6702-6709. doi:10.1021/acs.analchem.7b00916

DOI
10.1021/acs.analchem.7b00916
Journal article

Recommendations on the Implementation of Genetic Algorithms for the Directed Evolution of Enzymes for Industrial Purposes

Barley, M. H., Turner, N. J., & Goodacre, R. (2017). Recommendations on the Implementation of Genetic Algorithms for the Directed Evolution of Enzymes for Industrial Purposes. CHEMBIOCHEM, 18(12), 1087-1097. doi:10.1002/cbic.201700013

DOI
10.1002/cbic.201700013
Journal article

Probing the action of a novel anti-leukaemic drug therapy at the single cell level using modern vibrational spectroscopy techniques

Denbigh, J. L., Perez-Guaita, D., Vernooij, R. R., Tobin, M. J., Bambery, K. R., Xu, Y., . . . Wood, B. R. (2017). Probing the action of a novel anti-leukaemic drug therapy at the single cell level using modern vibrational spectroscopy techniques. SCIENTIFIC REPORTS, 7. doi:10.1038/s41598-017-02069-5

DOI
10.1038/s41598-017-02069-5
Journal article

Commentary on "Rapid identification of Streptococcus and Enterococcus species using diffuse reflectance-absorbance Fourier transform infrared spectroscopy and artificial neural networks"

Goodacre, R., & Kell, D. B. (2017). Commentary on "Rapid identification of Streptococcus and Enterococcus species using diffuse reflectance-absorbance Fourier transform infrared spectroscopy and artificial neural networks". FEMS MICROBIOLOGY LETTERS, 364(10). doi:10.1093/femsle/fnx018

DOI
10.1093/femsle/fnx018
Journal article

Ethnic differences in male reproductive hormones and relationships with adiposity and insulin resistance in older men

Eendebak, R. J. A. H., Swiecicka, A., Gromski, P. S., Pye, S. R., O'Neill, T. W., Marshall, A., . . . Rutter, M. K. (2017). Ethnic differences in male reproductive hormones and relationships with adiposity and insulin resistance in older men. CLINICAL ENDOCRINOLOGY, 86(5), 660-668. doi:10.1111/cen.13305

DOI
10.1111/cen.13305
Journal article

NEWS: The 2017 Metabolomics publication awards

Royston, G. (2017). NEWS: The 2017 Metabolomics publication awards. Metabolomics, 13(5). doi:10.1007/s11306-017-1198-7

DOI
10.1007/s11306-017-1198-7
Journal article

Systems biology guided by XCMS Online metabolomics

Huan, T., Forsberg, E. M., Rinehart, D., Johnson, C. H., Ivanisevic, J., Benton, H. P., . . . Siuzdak, G. (2017). Systems biology guided by XCMS Online metabolomics. NATURE METHODS, 14(5), 461-462. doi:10.1038/nmeth.4260

DOI
10.1038/nmeth.4260
Journal article

Quantitative detection of codeine in human plasma using surface-enhanced Raman scattering <i>via</i> adaptation of the isotopic labelling principle

Subaihi, A., Muhamadali, H., Mutter, S. T., Blanch, E., Ellis, D. I., & Goodacre, R. (2017). Quantitative detection of codeine in human plasma using surface-enhanced Raman scattering <i>via</i> adaptation of the isotopic labelling principle. ANALYST, 142(7), 1099-1105. doi:10.1039/c7an00193b

DOI
10.1039/c7an00193b
Journal article

Metabolomics for the masses: The future of metabolomics in a personalized world

Trivedi, D. K., Hollywood, K. A., & Goodacre, R. (2017). Metabolomics for the masses: The future of metabolomics in a personalized world. NEW HORIZONS IN TRANSLATIONAL MEDICINE, 3(6), 294-305. doi:10.1016/j.nhtm.2017.06.001

DOI
10.1016/j.nhtm.2017.06.001
Journal article

Detection of glycosylation and iron-binding protein modifications using Raman spectroscopy

Ashton, L., Brewster, V. L., Correa, E., & Goodacre, R. (2017). Detection of glycosylation and iron-binding protein modifications using Raman spectroscopy. ANALYST, 142(5), 808-814. doi:10.1039/c6an02516a

DOI
10.1039/c6an02516a
Journal article

Computational tools and workflows in metabolomics: An international survey highlights the opportunity for harmonisation through Galaxy

Weber, R. J. M., Lawson, T. N., Salek, R. M., Ebbels, T. M. D., Glen, R. C., Goodacre, R., . . . Viant, M. R. (2017). Computational tools and workflows in metabolomics: An international survey highlights the opportunity for harmonisation through Galaxy. METABOLOMICS, 13(2). doi:10.1007/s11306-016-1147-x

DOI
10.1007/s11306-016-1147-x
Journal article

SERS Detection of Multiple Antimicrobial-Resistant Pathogens Using Nanosensors

Kearns, H., Goodacre, R., Jamieson, L. E., Graham, D., & Faulds, K. (2017). SERS Detection of Multiple Antimicrobial-Resistant Pathogens Using Nanosensors. ANALYTICAL CHEMISTRY, 89(23), 12666-12673. doi:10.1021/acs.analchem.7b02653

DOI
10.1021/acs.analchem.7b02653
Journal article

2016

The androgen receptor gene CAG repeat in relation to 4-year changes in androgen-sensitive endpoints in community-dwelling older European men

Eendebak, R. J. A. H., Huhtaniemi, I. T., Pye, S. R., Ahern, T., O'Neill, T. W., Bartfai, G., . . . Wu, F. C. W. (2016). The androgen receptor gene CAG repeat in relation to 4-year changes in androgen-sensitive endpoints in community-dwelling older European men. EUROPEAN JOURNAL OF ENDOCRINOLOGY, 175(6), 583-593. doi:10.1530/EJE-16-0447

DOI
10.1530/EJE-16-0447
Journal article

Rapid, Accurate, and Quantitative Detection of Propranolol in Multiple Human Biofluids via Surface-Enhanced Raman Scattering

Subaihi, A., Almanqur, L., Muhamadali, H., AlMasoud, N., Ellis, D. I., Trivedi, D. K., . . . Goodacre, R. (2016). Rapid, Accurate, and Quantitative Detection of Propranolol in Multiple Human Biofluids via Surface-Enhanced Raman Scattering. ANALYTICAL CHEMISTRY, 88(22), 10884-10892. doi:10.1021/acs.analchem.6b02041

DOI
10.1021/acs.analchem.6b02041
Journal article

Rapid discrimination of <i>Enterococcus faecium</i> strains using phenotypic analytical techniques

AlMasoud, N., Xu, Y., Ellis, D. I., Rooney, P., Turton, J. F., & Goodacre, R. (2016). Rapid discrimination of <i>Enterococcus faecium</i> strains using phenotypic analytical techniques. ANALYTICAL METHODS, 8(42), 7603-7613. doi:10.1039/c6ay02326f

DOI
10.1039/c6ay02326f
Journal article

Classification of <i>Bacillus</i> and <i>Brevibacillus</i> species using rapid analysis of lipids by mass spectrometry

AlMasoud, N., Xu, Y., Trivedi, D. K., Salivo, S., Abban, T., Rattray, N. J. W., . . . Goodacre, R. (2016). Classification of <i>Bacillus</i> and <i>Brevibacillus</i> species using rapid analysis of lipids by mass spectrometry. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 408(27), 7865-7878. doi:10.1007/s00216-016-9890-4

DOI
10.1007/s00216-016-9890-4
Journal article

Partial Least Squares with Structured Output for Modelling the Metabolomics Data Obtained from Complex Experimental Designs: A Study into the Y-Block Coding

Xu, Y., Muhamadali, H., Sayqal, A., Dixon, N., & Goodacre, R. (2016). Partial Least Squares with Structured Output for Modelling the Metabolomics Data Obtained from Complex Experimental Designs: A Study into the Y-Block Coding. METABOLITES, 6(4). doi:10.3390/metabo6040038

DOI
10.3390/metabo6040038
Journal article

Reverse and Multiple Stable Isotope Probing to Study Bacterial Metabolism and Interactions at the Single Cell Level

Wang, Y., Song, Y., Tao, Y., Muhamadali, H., Goodacre, R., Zhou, N. -Y., . . . Huang, W. E. (2016). Reverse and Multiple Stable Isotope Probing to Study Bacterial Metabolism and Interactions at the Single Cell Level. ANALYTICAL CHEMISTRY, 88(19), 9443-9450. doi:10.1021/acs.analchem.6b01602

DOI
10.1021/acs.analchem.6b01602
Journal article

039 Systems biology approach to the analysis of pharmacogenomic data in psoriasis

Foulkes, A. C., Watson, D. S., Rattray, N. J., Donaldson, M., Goodacre, R., Reynolds, N., . . . Barnes, M. R. (2016). 039 Systems biology approach to the analysis of pharmacogenomic data in psoriasis. Journal of Investigative Dermatology, 136(9), S167. doi:10.1016/j.jid.2016.06.056

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10.1016/j.jid.2016.06.056
Journal article

FUM2, a Cytosolic Fumarase, Is Essential for Acclimation to Low Temperature in <i>Arabidopsis thaliana</i><SUP>1[OPEN]</SUP>

Dyson, B. C., Miller, M. A. E., Feil, R., Rattray, N., Bowsher, C. G., Goodacre, R., . . . Johnson, G. N. (2016). FUM2, a Cytosolic Fumarase, Is Essential for Acclimation to Low Temperature in <i>Arabidopsis thaliana</i><SUP>1[OPEN]</SUP>. PLANT PHYSIOLOGY, 172(1), 118-127. doi:10.1104/pp.16.00852

DOI
10.1104/pp.16.00852
Journal article

Rapid, accurate, and comparative differentiation of clinically and industrially relevant microorganisms <i>via</i> multiple vibrational spectroscopic fingerprinting

Muhamadali, H., Subaihi, A., Mohammadtaheri, M., Xu, Y., Ellis, D. I., Ramanathan, R., . . . Goodacre, R. (2016). Rapid, accurate, and comparative differentiation of clinically and industrially relevant microorganisms <i>via</i> multiple vibrational spectroscopic fingerprinting. ANALYST, 141(17), 5127-5136. doi:10.1039/c6an00883f

DOI
10.1039/c6an00883f
Journal article

SERS of meso-droplets supported on superhydrophobic wires allows exquisitely sensitive detection of dipicolinic acid, an anthrax biomarker, considerably below the infective close

Cheung, M., Lee, W. W. Y., Cowcher, D. P., Goodacre, R., & Bell, S. E. J. (2016). SERS of meso-droplets supported on superhydrophobic wires allows exquisitely sensitive detection of dipicolinic acid, an anthrax biomarker, considerably below the infective close. CHEMICAL COMMUNICATIONS, 52(64), 9925-9928. doi:10.1039/c6cc03521c

DOI
10.1039/c6cc03521c
Journal article

A flavour of omics approaches for the detection of food fraud

Ellis, D. I., Muhamadali, H., Allen, D. P., Elliott, C. T., & Goodacre, R. (2016). A flavour of omics approaches for the detection of food fraud. CURRENT OPINION IN FOOD SCIENCE, 10, 7-15. doi:10.1016/j.cofs.2016.07.002

DOI
10.1016/j.cofs.2016.07.002
Journal article

Rapid, high-throughput, and quantitative determination of orange juice adulteration by Fourier-transform infrared spectroscopy

Ellis, D. I., Ellis, J., Muhamadali, H., Xu, Y., Horn, A. B., & Goodacre, R. (2016). Rapid, high-throughput, and quantitative determination of orange juice adulteration by Fourier-transform infrared spectroscopy. ANALYTICAL METHODS, 8(28), 5581-5586. doi:10.1039/c6ay01480a

DOI
10.1039/c6ay01480a
Journal article

Metabolic analysis of the response of <i>Pseudomonas putida</i> DOT-T1E strains to toluene using Fourier transform infrared spectroscopy and gas chromatography mass spectrometry

Sayqal, A., Xu, Y., Trivedi, D. K., AlMasoud, N., Ellis, D. I., Muhamadali, H., . . . Goodacre, R. (2016). Metabolic analysis of the response of <i>Pseudomonas putida</i> DOT-T1E strains to toluene using Fourier transform infrared spectroscopy and gas chromatography mass spectrometry. METABOLOMICS, 12(7). doi:10.1007/s11306-016-1054-1

DOI
10.1007/s11306-016-1054-1
Journal article

NEWS: the 2016 Metabolomics publication awards

Goodacre, R. (2016). NEWS: the 2016 Metabolomics publication awards. Metabolomics, 12(7). doi:10.1007/s11306-016-1060-3

DOI
10.1007/s11306-016-1060-3
Journal article

Biofluids and other techniques: general discussion

Goodacre, R., Baker, M. J., Graham, D., Schultz, Z. D., Diem, M., Marques, M. P., . . . Campbell, C. J. (2016). Biofluids and other techniques: general discussion. FARADAY DISCUSSIONS, 187, 575-601. doi:10.1039/C6FD90014C

DOI
10.1039/C6FD90014C
Journal article

Clinical Spectroscopy: general discussion

Goodacre, R., Sergo, V., Barr, H., Sammon, C., Schultz, Z. D., Baker, M. J., . . . Paterson, C. (2016). Clinical Spectroscopy: general discussion. FARADAY DISCUSSIONS, 187, 429-460. doi:10.1039/C6FD90013E

DOI
10.1039/C6FD90013E
Journal article

Single cell analysis/data handling: general discussion

Baker, M. J., Goodacre, R., Sammon, C., Marques, M. P., Gardner, P., Tipping, W., . . . Lyng, F. (2016). Single cell analysis/data handling: general discussion. FARADAY DISCUSSIONS, 187, 299-327. doi:10.1039/C6FD90012G

DOI
10.1039/C6FD90012G
Journal article

Spectral Pathology: general discussion

Sammon, C., Schultz, Z. D., Kazarian, S., Barr, H., Goodacre, R., Graham, D., . . . Pilling, M. (2016). Spectral Pathology: general discussion. FARADAY DISCUSSIONS, 187, 155-186. doi:10.1039/C6FD90011A

DOI
10.1039/C6FD90011A
Journal article

Fractional Factorial Design of MALDI-TOF-MS Sample Preparations for the Optimized Detection of Phospholipids and Acylglycerols

AlMasoud, N., Correa, E., Trivedi, D. K., & Goodacre, R. (2016). Fractional Factorial Design of MALDI-TOF-MS Sample Preparations for the Optimized Detection of Phospholipids and Acylglycerols. ANALYTICAL CHEMISTRY, 88(12), 6301-6308. doi:10.1021/acs.analchem.6b00512

DOI
10.1021/acs.analchem.6b00512
Journal article

SYNBIOCHEM - a SynBio foundry for the biosynthesis and sustainable production of fine and speciality chemicals

Carbonell, P., Currin, A., Dunstan, M., Fellows, D., Jervis, A., Rattray, N. J. W., . . . Turner, N. J. (2016). SYNBIOCHEM - a SynBio foundry for the biosynthesis and sustainable production of fine and speciality chemicals. BIOCHEMICAL SOCIETY TRANSACTIONS, 44, 675-677. doi:10.1042/BST20160009

DOI
10.1042/BST20160009
Journal article

Label-Free Surface Enhanced Raman Scattering Approach for High-Throughput Screening of Biocatalysts

Westley, C., Xu, Y., Carnell, A. J., Turner, N. J., & Goodacre, R. (2016). Label-Free Surface Enhanced Raman Scattering Approach for High-Throughput Screening of Biocatalysts. Analytical Chemistry, 88(11), 5898-5903. doi:10.1021/acs.analchem.6b00813

DOI
10.1021/acs.analchem.6b00813
Journal article

Metabolomics Analysis Reveals the Participation of Efflux Pumps and Ornithine in the Response of <i>Pseudomonas putida</i> DOT-T1E Cells to Challenge with Propranolol

Sayqal, A., Xu, Y., Trivedi, D. K., AlMasoud, N., Ellis, D. I., Rattray, N. J. W., & Goodacre, R. (2016). Metabolomics Analysis Reveals the Participation of Efflux Pumps and Ornithine in the Response of <i>Pseudomonas putida</i> DOT-T1E Cells to Challenge with Propranolol. PLOS ONE, 11(6). doi:10.1371/journal.pone.0156509

DOI
10.1371/journal.pone.0156509
Journal article

Intermittent energy restriction induces changes in breast gene expression and systemic metabolism

Harvie, M. N., Sims, A. H., Pegington, M., Spence, K., Mitchell, A., Vaughan, A. A., . . . Howell, A. (2016). Intermittent energy restriction induces changes in breast gene expression and systemic metabolism. BREAST CANCER RESEARCH, 18. doi:10.1186/s13058-016-0714-4

DOI
10.1186/s13058-016-0714-4
Journal article

Electronic cigarette exposure triggers neutrophil inflammatory responses

Higham, A., Rattray, N. J. W., Dewhurst, J. A., Trivedi, D. K., Fowler, S. J., Goodacre, R., & Singh, D. (2016). Electronic cigarette exposure triggers neutrophil inflammatory responses. RESPIRATORY RESEARCH, 17. doi:10.1186/s12931-016-0368-x

DOI
10.1186/s12931-016-0368-x
Journal article

Biochemical Analyses of Sorghum Varieties Reveal Differential Responses to Drought

Ogbaga, C. C., Stepien, P., Dyson, B. C., Rattray, N. J. W., Ellis, D. I., Goodacre, R., & Johnson, G. N. (2016). Biochemical Analyses of Sorghum Varieties Reveal Differential Responses to Drought. PLOS ONE, 11(5). doi:10.1371/journal.pone.0154423

DOI
10.1371/journal.pone.0154423
Journal article

Evaluation of metabolomics profiles of grain from maize hybrids derived from near-isogenic GM positive and negative segregant inbreds demonstrates that observed differences cannot be attributed unequivocally to the GM trait

Harrigan, G. G., Venkatesh, T. V., Leibman, M., Blankenship, J., Perez, T., Halls, S., . . . Goodacre, R. (2016). Evaluation of metabolomics profiles of grain from maize hybrids derived from near-isogenic GM positive and negative segregant inbreds demonstrates that observed differences cannot be attributed unequivocally to the GM trait. METABOLOMICS, 12(5). doi:10.1007/s11306-016-1017-6

DOI
10.1007/s11306-016-1017-6
Journal article

Detecting food authenticity and integrity

Ellis, D. I., & Goodacre, R. (2016). Detecting food authenticity and integrity. ANALYTICAL METHODS, 8(16), 3281-3283. doi:10.1039/c6ay90015a

DOI
10.1039/c6ay90015a
Journal article

Metabolic Fingerprinting of <i>Pseudomonas putida</i> DOT-T1E Strains: Understanding the Influence of Divalent Cations in Adaptation Mechanisms Following Exposure to Toluene

Sayqal, A., Xu, Y., Trivedi, D. K., AlMasoud, N., Ellis, D. I., & Goodacre, R. (2016). Metabolic Fingerprinting of <i>Pseudomonas putida</i> DOT-T1E Strains: Understanding the Influence of Divalent Cations in Adaptation Mechanisms Following Exposure to Toluene. METABOLITES, 6(2). doi:10.3390/metabo6020014

DOI
10.3390/metabo6020014
Journal article

Meat, the metabolites: an integrated metabolite profiling and lipidomics approach for the detection of the adulteration of beef with pork

Trivedi, D. K., Hollywood, K. A., Rattray, N. J. W., Ward, H., Trivedi, D. K., Greenwood, J., . . . Goodacre, R. (2016). Meat, the metabolites: an integrated metabolite profiling and lipidomics approach for the detection of the adulteration of beef with pork. ANALYST, 141(7), 2155-2164. doi:10.1039/c6an00108d

DOI
10.1039/c6an00108d
Journal article

Towards Improving Point-of-Care Diagnosis of Non-malaria Febrile Illness: A Metabolomics Approach

Decuypere, S., Maltha, J., Deborggraeve, S., Rattray, N. J. W., Issa, G., Berenger, K., . . . Carapetis, J. R. (2016). Towards Improving Point-of-Care Diagnosis of Non-malaria Febrile Illness: A Metabolomics Approach. PLOS NEGLECTED TROPICAL DISEASES, 10(3). doi:10.1371/journal.pntd.0004480

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10.1371/journal.pntd.0004480
Journal article

Say hello to Dr Warwick Dunn! Metabolomics' new Reviews Editor

Goodacre, R. (2016). Say hello to Dr Warwick Dunn! Metabolomics' new Reviews Editor. METABOLOMICS, 12(3). doi:10.1007/s11306-016-0978-9

DOI
10.1007/s11306-016-0978-9
Journal article

Detection of Protein Glycosylation Using Tip-Enhanced Raman Scattering

Cowcher, D. P., Deckert-Gaudig, T., Brewster, V. L., Ashton, L., Deckert, V., & Goodacre, R. (2016). Detection of Protein Glycosylation Using Tip-Enhanced Raman Scattering. ANALYTICAL CHEMISTRY, 88(4), 2105-2112. doi:10.1021/acs.analchem.5b03535

DOI
10.1021/acs.analchem.5b03535
Journal article

Continued growth, continual progress, and continuous publications

Goodacre, R. (2016). Continued growth, continual progress, and continuous publications. METABOLOMICS, 12(1). doi:10.1007/s11306-015-0911-7

DOI
10.1007/s11306-015-0911-7
Journal article

Chicken, beams, and <i>Campylobacter</i>: rapid differentiation of foodborne bacteria via vibrational spectroscopy and MALDI-mass spectrometry

Muhamadali, H., Weaver, D., Subaihi, A., AlMasoud, N., Trivedi, D. K., Ellis, D. I., . . . Goodacre, R. (2016). Chicken, beams, and <i>Campylobacter</i>: rapid differentiation of foodborne bacteria via vibrational spectroscopy and MALDI-mass spectrometry. ANALYST, 141(1), 111-122. doi:10.1039/c5an01945a

DOI
10.1039/c5an01945a
Journal article

Achieving optimal SERS through enhanced experimental design

Fisk, H., Westley, C., Turner, N. J., & Goodacre, R. (2016). Achieving optimal SERS through enhanced experimental design. JOURNAL OF RAMAN SPECTROSCOPY, 47(1), 59-66. doi:10.1002/jrs.4855

DOI
10.1002/jrs.4855
Journal article

Data standards can boost metabolomics research, and if there is a will, there is a way

Rocca-Serra, P., Salek, R. M., Arita, M., Correa, E., Dayalan, S., Gonzalez-Beltran, A., . . . Neumann, S. (2016). Data standards can boost metabolomics research, and if there is a will, there is a way. METABOLOMICS, 12(1). doi:10.1007/s11306-015-0879-3

DOI
10.1007/s11306-015-0879-3
Journal article

High-throughput metabolic screening of microalgae genetic variation in response to nutrient limitation

Bajhaiya, A. K., Dean, A. P., Driver, T., Trivedi, D. K., Rattray, N. J. W., Allwood, J. W., . . . Pittman, J. K. (2016). High-throughput metabolic screening of microalgae genetic variation in response to nutrient limitation. METABOLOMICS, 12(1). doi:10.1007/s11306-015-0878-4

DOI
10.1007/s11306-015-0878-4
Journal article

Metabolomic analysis of riboswitch containing <i>E-coli</i> recombinant expression system

Muhamadali, H., Xu, Y., Morra, R., Trivedi, D. K., Rattray, N. J. W., Dixon, N., & Goodacre, R. (2016). Metabolomic analysis of riboswitch containing <i>E-coli</i> recombinant expression system. MOLECULAR BIOSYSTEMS, 12(2), 350-361. doi:10.1039/c5mb00624d

DOI
10.1039/c5mb00624d
Journal article

Metabolomics reveals the physiological response of <i>Pseudomonas</i> <i>putida</i> KT2440 (UWC1) after pharmaceutical exposure

Currie, F., Broadhurst, D. I., Dunn, W. B., Sellick, C. A., & Goodacre, R. (2016). Metabolomics reveals the physiological response of <i>Pseudomonas</i> <i>putida</i> KT2440 (UWC1) after pharmaceutical exposure. MOLECULAR BIOSYSTEMS, 12(4), 1367-1377. doi:10.1039/c5mb00889a

DOI
10.1039/c5mb00889a
Journal article

2015

COordination of Standards in MetabOlomicS (COSMOS): facilitating integrated metabolomics data access

Salek, R. M., Neumann, S., Schober, D., Hummel, J., Billiau, K., Kopka, J., . . . Steinbeck, C. (2015). COordination of Standards in MetabOlomicS (COSMOS): facilitating integrated metabolomics data access. METABOLOMICS, 11(6), 1587-1597. doi:10.1007/s11306-015-0810-y

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10.1007/s11306-015-0810-y
Journal article

Coordination of Standards in MetabOlomicS (COSMOS): facilitating integrated metabolomics data access (vol 11, pg 1587, 2015)

Salek, R. M., Neumann, S., Schober, D., Hummel, J., Billiau, K., Kopka, J., . . . Steinbeck, C. (2015). Coordination of Standards in MetabOlomicS (COSMOS): facilitating integrated metabolomics data access (vol 11, pg 1587, 2015). METABOLOMICS, 11(6), 1598-1599. doi:10.1007/s11306-015-0822-7

DOI
10.1007/s11306-015-0822-7
Journal article

Point-and-shoot: rapid quantitative detection methods for on-site food fraud analysis - moving out of the laboratory and into the food supply chain

Ellis, D. I., Muhamadali, H., Haughey, S. A., Elliott, C. T., & Goodacre, R. (2015). Point-and-shoot: rapid quantitative detection methods for on-site food fraud analysis - moving out of the laboratory and into the food supply chain. ANALYTICAL METHODS, 7(22), 9401-9414. doi:10.1039/c5ay02048d

DOI
10.1039/c5ay02048d
Journal article

Aseptic Raman spectroscopy can detect changes associated with the culture of human dental pulp stromal cells in osteoinductive culture

Mitchell, A., Ashton, L., Yang, X. B., Goodacre, R., Tomlinson, M. J., Smith, A., & Kirkham, J. (2015). Aseptic Raman spectroscopy can detect changes associated with the culture of human dental pulp stromal cells in osteoinductive culture. ANALYST, 140(21), 7347-7354. doi:10.1039/c5an01595b

DOI
10.1039/c5an01595b
Journal article

A systematic analysis of TCA <i>Escherichia coli</i> mutants reveals suitable genetic backgrounds for enhanced hydrogen and ethanol production using glycerol as main carbon source

Valle, A., Cabrera, G., Muhamadali, H., Trivedi, D. K., Ratray, N. J. W., Goodacre, R., . . . Bolivar, J. (2015). A systematic analysis of TCA <i>Escherichia coli</i> mutants reveals suitable genetic backgrounds for enhanced hydrogen and ethanol production using glycerol as main carbon source. BIOTECHNOLOGY JOURNAL, 10(11), 1750-1761. doi:10.1002/biot.201500005

DOI
10.1002/biot.201500005
Journal article

Detection of early stage changes associated with adipogenesis using Raman spectroscopy under aseptic conditions

Mitchell, A., Ashton, L., Yang, X. B., Goodacre, R., Smith, A., & Kirkham, J. (2015). Detection of early stage changes associated with adipogenesis using Raman spectroscopy under aseptic conditions. CYTOMETRY PART A, 87A(11), 1012-1019. doi:10.1002/cyto.a.22777

DOI
10.1002/cyto.a.22777
Journal article

Simultaneous multiplexed quantification of caffeine and its major metabolites theobromine and paraxanthine using surface-enhanced Raman scattering

Alharbi, O., Xu, Y., & Goodacre, R. (2015). Simultaneous multiplexed quantification of caffeine and its major metabolites theobromine and paraxanthine using surface-enhanced Raman scattering. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 407(27), 8253-8261. doi:10.1007/s00216-015-9004-8

DOI
10.1007/s00216-015-9004-8
Journal article

THE FRAILL PROJECT - INVESTIGATING AGING AND FRAILTY IN LATER LIFE USING UNTARGETED SERUM METABOLOMICS

Rattray, N. J., Mekli, K., Pendleton, N., Tampubolon, G., Vanhoutte, B., Nazroo, J., & Goodacre, R. (2015). THE FRAILL PROJECT - INVESTIGATING AGING AND FRAILTY IN LATER LIFE USING UNTARGETED SERUM METABOLOMICS. In GERONTOLOGIST Vol. 55 (pp. 369). Retrieved from https://www.webofscience.com/

Conference Paper

Metabolic profiling reveals potential metabolic markers associated with Hypoxia Inducible Factor-mediated signalling in hypoxic cancer cells

Armitage, E. G., Kotze, H. L., Allwood, J. W., Dunn, W. B., Goodacre, R., & Williams, K. J. (2015). Metabolic profiling reveals potential metabolic markers associated with Hypoxia Inducible Factor-mediated signalling in hypoxic cancer cells. SCIENTIFIC REPORTS, 5. doi:10.1038/srep15649

DOI
10.1038/srep15649
Journal article

Metabolomics investigation of recombinant mTNFα production in <i>Streptomyces lividans</i>

Muhamadali, H., Xu, Y., Ellis, D. I., Trivedi, D. K., Rattray, N. J. W., Bernaerts, K., & Goodacre, R. (2015). Metabolomics investigation of recombinant mTNFα production in <i>Streptomyces lividans</i>. MICROBIAL CELL FACTORIES, 14. doi:10.1186/s12934-015-0350-1

DOI
10.1186/s12934-015-0350-1
Journal article

Metabolomics society 2015 <i>Metabolomics</i> publication awards

Goodacre, R. (2015). Metabolomics society 2015 <i>Metabolomics</i> publication awards. METABOLOMICS, 11(5), 1035. doi:10.1007/s11306-015-0845-0

DOI
10.1007/s11306-015-0845-0
Journal article

Detection and quantification of the opioid tramadol in urine using surface enhanced Raman scattering

Alharbi, O., Xu, Y., & Goodacre, R. (2015). Detection and quantification of the opioid tramadol in urine using surface enhanced Raman scattering. ANALYST, 140(17), 5965-5970. doi:10.1039/c5an01177a

DOI
10.1039/c5an01177a
Journal article

Metabolic responses of eukaryotic microalgae to environmental stress limit the ability of FT-IR spectroscopy for species identification

Driver, T., Bajhaiya, A. K., Allwood, J. W., Goodacre, R., Pittman, J. K., & Dean, A. P. (2015). Metabolic responses of eukaryotic microalgae to environmental stress limit the ability of FT-IR spectroscopy for species identification. ALGAL RESEARCH-BIOMASS BIOFUELS AND BIOPRODUCTS, 11, 148-155. doi:10.1016/j.algal.2015.06.009

DOI
10.1016/j.algal.2015.06.009
Journal article

Metabolite profiling of CHO cells: Molecular reflections of bioprocessing effectiveness

Sellick, C. A., Croxford, A. S., Maqsood, A. R., Stephens, G. M., Westerhoff, H. V., Goodacre, R., & Dickson, A. J. (2015). Metabolite profiling of CHO cells: Molecular reflections of bioprocessing effectiveness. BIOTECHNOLOGY JOURNAL, 10(9), 1434-1445. doi:10.1002/biot.201400664

DOI
10.1002/biot.201400664
Journal article

Functional Exchangeability of Oxidase and Dehydrogenase Reactions in the Biosynthesis of Hydroxyphenylglycine, a Nonribosomal Peptide Building Block

Diez, V., Loznik, M., Taylor, S., Winn, M., Rattray, N. J. W., Podmore, H., . . . Takano, E. (2015). Functional Exchangeability of Oxidase and Dehydrogenase Reactions in the Biosynthesis of Hydroxyphenylglycine, a Nonribosomal Peptide Building Block. ACS SYNTHETIC BIOLOGY, 4(7), 796-807. doi:10.1021/sb500368w

DOI
10.1021/sb500368w
Journal article

Application of surface enhanced Raman scattering to the solution based detection of a popular legal high, 5,6-methylenedioxy-2-aminoindane (MDAI)

Mabbott, S., Alharbi, O., Groves, K., & Goodacre, R. (2015). Application of surface enhanced Raman scattering to the solution based detection of a popular legal high, 5,6-methylenedioxy-2-aminoindane (MDAI). ANALYST, 140(13), 4399-4406. doi:10.1039/c5an00591d

DOI
10.1039/c5an00591d
Journal article

Acclimation of metabolism to light in <i>Arabidopsis thaliana</i>: the glucose 6-phosphate/phosphate translocator GPT2 directs metabolic acclimation

Dyson, B. C., Allwood, J. W., Feil, R., Xu, Y., Miller, M., Bowsher, C. G., . . . Johnson, G. N. (2015). Acclimation of metabolism to light in <i>Arabidopsis thaliana</i>: the glucose 6-phosphate/phosphate translocator GPT2 directs metabolic acclimation. PLANT CELL AND ENVIRONMENT, 38(7), 1404-1417. doi:10.1111/pce.12495

DOI
10.1111/pce.12495
Journal article

Oxidized phosphatidylcholines suggest oxidative stress in patients with medium-chain acyl-CoA dehydrogenase deficiency

Najdekr, L., Gardlo, A., Madrova, L., Friedecky, D., Janeckova, H., Correa, E. S., . . . Adam, T. (2015). Oxidized phosphatidylcholines suggest oxidative stress in patients with medium-chain acyl-CoA dehydrogenase deficiency. TALANTA, 139, 62-66. doi:10.1016/j.talanta.2015.02.041

DOI
10.1016/j.talanta.2015.02.041
Journal article

New cofactor supports α,β-unsaturated acid decarboxylation via 1,3-dipolar cycloaddition

Payne, K. A. P., White, M. D., Fisher, K., Khara, B., Bailey, S. S., Parker, D., . . . Leys, D. (2015). New cofactor supports α,β-unsaturated acid decarboxylation via 1,3-dipolar cycloaddition. NATURE, 522(7557), 497-501. doi:10.1038/nature14560

DOI
10.1038/nature14560
Journal article

UbiX is a flavin prenyltransferase required for bacterial ubiquinone biosynthesis

White, M. D., Payne, K. A. P., Fisher, K., Marshall, S. A., Parker, D., Rattray, N. J. W., . . . Leys, D. (2015). UbiX is a flavin prenyltransferase required for bacterial ubiquinone biosynthesis. NATURE, 522(7557), 502-506. doi:10.1038/nature14559

DOI
10.1038/nature14559
Journal article

Phenotypic Characterisation of <i>Shewanella oneidensis</i> MR-1 Exposed to X-Radiation

Brown, A. R., Correa, E., Xu, Y., AlMasoud, N., Pimblott, S. M., Goodacre, R., & Lloyd, J. R. (2015). Phenotypic Characterisation of <i>Shewanella oneidensis</i> MR-1 Exposed to X-Radiation. PLOS ONE, 10(6). doi:10.1371/journal.pone.0131249

DOI
10.1371/journal.pone.0131249
Journal article

A tutorial review: Metabolomics and partial least squares-discriminant analysis - a marriage of convenience or a shotgun wedding

Gromski, P. S., Muhamadali, H., Ellis, D. I., Xu, Y., Correa, E., Turner, M. L., & Goodacre, R. (2015). A tutorial review: Metabolomics and partial least squares-discriminant analysis - a marriage of convenience or a shotgun wedding. ANALYTICA CHIMICA ACTA, 879, 10-23. doi:10.1016/j.aca.2015.02.012

DOI
10.1016/j.aca.2015.02.012
Journal article

METABOLOMIC PROFILING IN ACUTE PANCREATITIS; IN SEARCH OF NEW BIOMARKERS

Ross, N. P., Correa, E. S., Rattray, N. J., Hildebrand, D. R., Trivedi, D. K., Goodacre, R., & Watson, A. J. (2015). METABOLOMIC PROFILING IN ACUTE PANCREATITIS; IN SEARCH OF NEW BIOMARKERS. In GUT Vol. 64 (pp. A299-A300). doi:10.1136/gutjnl-2015-309861.646

DOI
10.1136/gutjnl-2015-309861.646
Conference Paper

METABOLOMIC PROFILING IN INFLAMMATORY BOWEL DISEASE

Hildebrand, D. R., Trivedi, D., Xu, Y., Rattray, N., Ross, N. P., Correa, E. S., . . . Watson, A. J. (2015). METABOLOMIC PROFILING IN INFLAMMATORY BOWEL DISEASE. In GUT Vol. 64 (pp. A102). doi:10.1136/gutjnl-2015-309861.208

DOI
10.1136/gutjnl-2015-309861.208
Conference Paper

METABOLOMIC PROFILING IN PANCREATIC CANCER; IN SEARCH OF NEW BIOMARKERS

Ross, N. P., Correa, E., Rattray, N., Hildebrand, D., Xu, Y., Trivedi, D., . . . Watson, A. J. M. (2015). METABOLOMIC PROFILING IN PANCREATIC CANCER; IN SEARCH OF NEW BIOMARKERS. In GUT Vol. 64 (pp. A300). doi:10.1136/gutjnl-2015-309861.647

DOI
10.1136/gutjnl-2015-309861.647
Conference Paper

The influence of scaling metabolomics data on model classification accuracy

Gromski, P. S., Xu, Y., Hollywood, K. A., Turner, M. L., & Goodacre, R. (2015). The influence of scaling metabolomics data on model classification accuracy. METABOLOMICS, 11(3), 684-695. doi:10.1007/s11306-014-0738-7

DOI
10.1007/s11306-014-0738-7
Journal article

Exploring the mode of action of dithranol therapy for psoriasis: a metabolomic analysis using HaCaT cells

Hollywood, K. A., Winder, C. L., Dunn, W. B., Xu, Y., Broadhurst, D., Griffiths, C. E. M., & Goodacre, R. (2015). Exploring the mode of action of dithranol therapy for psoriasis: a metabolomic analysis using HaCaT cells. MOLECULAR BIOSYSTEMS, 11(8), 2198-2209. doi:10.1039/c4mb00739e

DOI
10.1039/c4mb00739e
Journal article

Metabolic Profiling of <i>Geobacter sulfurreducens</i> during Industrial Bioprocess Scale-Up

Muhamadali, H., Xu, Y., Ellis, D. I., Allwood, J. W., Rattray, N. J. W., Correa, E., . . . Goodacre, R. (2015). Metabolic Profiling of <i>Geobacter sulfurreducens</i> during Industrial Bioprocess Scale-Up. APPLIED AND ENVIRONMENTAL MICROBIOLOGY, 81(10), 3288-3298. doi:10.1128/AEM.00294-15

DOI
10.1128/AEM.00294-15
Journal article

Combining Raman and FT-IR Spectroscopy with Quantitative Isotopic Labeling for Differentiation of E. coli Cells at Community and Single Cell Levels

Muhamadali, H., Chisanga, M., Subaihi, A., & Goodacre, R. (2015). Combining Raman and FT-IR Spectroscopy with Quantitative Isotopic Labeling for Differentiation of E. coli Cells at Community and Single Cell Levels. Analytical Chemistry, 87(8), 4578-4586. doi:10.1021/acs.analchem.5b00892

DOI
10.1021/acs.analchem.5b00892
Journal article

A workflow for bacterial metabolic fingerprinting and lipid profiling: application to Ciprofloxacin challenged <i>Escherichia coli</i>

Allwood, J. W., AlRabiah, H., Correa, E., Vaughan, A., Xu, Y., Upton, M., & Goodacre, R. (2015). A workflow for bacterial metabolic fingerprinting and lipid profiling: application to Ciprofloxacin challenged <i>Escherichia coli</i>. METABOLOMICS, 11(2), 438-453. doi:10.1007/s11306-014-0674-6

DOI
10.1007/s11306-014-0674-6
Journal article

Surveillance for lower airway pathogens in mechanically ventilated patients by metabolomic analysis of exhaled breath: a case-control study

Fowler, S. J., Basanta-Sanchez, M., Xu, Y., Goodacre, R., & Dark, P. M. (2015). Surveillance for lower airway pathogens in mechanically ventilated patients by metabolomic analysis of exhaled breath: a case-control study. THORAX, 70(4), 320-325. doi:10.1136/thoraxjnl-2014-206273

DOI
10.1136/thoraxjnl-2014-206273
Journal article

Making colourful sense of Raman images of single cells

Ashton, L., Hollywood, K. A., & Goodacre, R. (2015). Making colourful sense of Raman images of single cells. ANALYST, 140(6), 1852-1858. doi:10.1039/c4an02298j

DOI
10.1039/c4an02298j
Journal article

MUSCLE: automated multi-objective evolutionary optimization of targeted LC-MS/MS analysis

Bradbury, J., Genta-Jouve, G., Allwood, J. W., Dunn, W. B., Goodacre, R., Knowles, J. D., . . . Viant, M. R. (2015). MUSCLE: automated multi-objective evolutionary optimization of targeted LC-MS/MS analysis. BIOINFORMATICS, 31(6), 975-977. doi:10.1093/bioinformatics/btu740

DOI
10.1093/bioinformatics/btu740
Journal article

Untargeted Metabolic Profiling Identifies Altered Serum Metabolites of Type 2 Diabetes Mellitus in a Prospective, Nested Case Control Study

Drogan, D., Dunn, W. B., Lin, W., Buijsse, B., Schulze, M. B., Langenberg, C., . . . Boeing, H. (2015). Untargeted Metabolic Profiling Identifies Altered Serum Metabolites of Type 2 Diabetes Mellitus in a Prospective, Nested Case Control Study. CLINICAL CHEMISTRY, 61(3), 487-497. doi:10.1373/clinchem.2014.228965

DOI
10.1373/clinchem.2014.228965
Journal article

I spy with my little eye something beginning with aEuro¦ 'H'

Goodacre, R. (2015). I spy with my little eye something beginning with aEuro¦ 'H'. METABOLOMICS, 11(1), 6-8. doi:10.1007/s11306-014-0762-7

DOI
10.1007/s11306-014-0762-7
Journal article

Molecular phenotyping of a UK population: defining the human serum metabolome

Dunn, W. B., Lin, W., Broadhurst, D., Begley, P., Brown, M., Zelena, E., . . . Kell, D. B. (2015). Molecular phenotyping of a UK population: defining the human serum metabolome. METABOLOMICS, 11(1), 9-26. doi:10.1007/s11306-014-0707-1

DOI
10.1007/s11306-014-0707-1
Journal article

UV resonance Raman spectroscopy: a process analytical tool for host cell DNA and RNA dynamics in mammalian cell lines

Ashton, L., Hogwood, C. E. M., Tait, A. S., Kuligowski, J., Smales, C. M., Bracewell, D. G., . . . Goodacre, R. (2015). UV resonance Raman spectroscopy: a process analytical tool for host cell DNA and RNA dynamics in mammalian cell lines. JOURNAL OF CHEMICAL TECHNOLOGY AND BIOTECHNOLOGY, 90(2), 237-243. doi:10.1002/jctb.4420

DOI
10.1002/jctb.4420
Journal article

A comprehensive omics assessment of etanercept therapy for psoriasis

Foulkes, A., Rattray, N. J. W., Correa, E., Trivedi, D. K., Carr, D. F., Maratou, K., . . . Warren, R. (2015). A comprehensive omics assessment of etanercept therapy for psoriasis. In BRITISH JOURNAL OF DERMATOLOGY Vol. 173 (pp. 12). Retrieved from https://www.webofscience.com/

Conference Paper

A comprehensive omics assessment of etanercept therapy for psoriasis

Foulkes, A., Rattray, N., Pirmohamed, M., Goodacre, R., Reynolds, N. J., Donaldson, M. J., . . . Warren, R. (2015). A comprehensive omics assessment of etanercept therapy for psoriasis. In JOURNAL OF INVESTIGATIVE DERMATOLOGY Vol. 135 (pp. S32). Retrieved from https://www.webofscience.com/

Conference Paper

Profiling of spatial metabolite distributions in wheat leaves under normal and nitrate limiting conditions

Allwood, J. W., Chandra, S., Xu, Y., Dunn, W. B., Correa, E., Hopkins, L., . . . Bowsher, C. G. (2015). Profiling of spatial metabolite distributions in wheat leaves under normal and nitrate limiting conditions. PHYTOCHEMISTRY, 115, 99-111. doi:10.1016/j.phytochem.2015.01.007

DOI
10.1016/j.phytochem.2015.01.007
Journal article

The Effect Of Electronic Cigarette Exposure On Innate Immune Cells

Higham, A. J., Rattray, N., Dewhurst, J. A., Goodacre, R., & Singh, D. (2015). The Effect Of Electronic Cigarette Exposure On Innate Immune Cells. In AMERICAN JOURNAL OF RESPIRATORY AND CRITICAL CARE MEDICINE Vol. 191. Retrieved from https://www.webofscience.com/

Conference Paper

2014

THE EFFECT OF ELECTRONIC CIGARETTE EXPOSURE ON INNATE IMMUNE CELLS

Higham, A. J., Rattray, N. J. W., Dewhurst, J. A., & Singh, D. (2014). THE EFFECT OF ELECTRONIC CIGARETTE EXPOSURE ON INNATE IMMUNE CELLS. In THORAX Vol. 69 (pp. A1-A2). doi:10.1136/thoraxjnl-2014-206260.3

DOI
10.1136/thoraxjnl-2014-206260.3
Conference Paper

Monitoring Antibody Aggregation in Early Drug Development Using Raman Spectroscopy and Perturbation-Correlation Moving Windows

de la Cuesta, R. G., Goodacre, R., & Ashton, L. (2014). Monitoring Antibody Aggregation in Early Drug Development Using Raman Spectroscopy and Perturbation-Correlation Moving Windows. ANALYTICAL CHEMISTRY, 86(22), 11133-11140. doi:10.1021/ac5038329

DOI
10.1021/ac5038329
Journal article

Selective induction and subcellular distribution of ACONITASE 3 reveal the importance of cytosolic citrate metabolism during lipid mobilization in <i>Arabidopsis</i>

Hooks, M. A., Allwood, J. W., Harrison, J. K. D., Kopka, J., Erban, A., Goodacre, R., & Balk, J. (2014). Selective induction and subcellular distribution of ACONITASE 3 reveal the importance of cytosolic citrate metabolism during lipid mobilization in <i>Arabidopsis</i>. BIOCHEMICAL JOURNAL, 463, 309-317. doi:10.1042/BJ20140430

DOI
10.1042/BJ20140430
Journal article

Quantitative Online Liquid Chromatography-Surface-Enhanced Raman Scattering of Purine Bases

Cowcher, D. P., Jarvis, R., & Goodacre, R. (2014). Quantitative Online Liquid Chromatography-Surface-Enhanced Raman Scattering of Purine Bases. ANALYTICAL CHEMISTRY, 86(19), 9977-9984. doi:10.1021/ac5029159

DOI
10.1021/ac5029159
Journal article

Simultaneous multiplexed quantification of nicotine and its metabolites using surface enhanced Raman scattering

Alharbi, O., Xu, Y., & Goodacre, R. (2014). Simultaneous multiplexed quantification of nicotine and its metabolites using surface enhanced Raman scattering. ANALYST, 139(19), 4820-4827. doi:10.1039/c4an00879k

DOI
10.1039/c4an00879k
Journal article

Compositional Equivalence of Grain from Multi-trait Drought-Tolerant Maize Hybrids to a Conventional Comparator: Univariate and Multivariate Assessments

Xu, Y., Goodacre, R., & Harrigan, G. G. (2014). Compositional Equivalence of Grain from Multi-trait Drought-Tolerant Maize Hybrids to a Conventional Comparator: Univariate and Multivariate Assessments. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, 62(39), 9597-9608. doi:10.1021/jf5019609

DOI
10.1021/jf5019609
Journal article

Taking your breath away: metabolomics breathes life in to personalized medicine

Rattray, N. J. W., Hamrang, Z., Trivedi, D. K., Goodacre, R., & Fowler, S. J. (2014). Taking your breath away: metabolomics breathes life in to personalized medicine. TRENDS IN BIOTECHNOLOGY, 32(10), 538-548. doi:10.1016/j.tibtech.2014.08.003

DOI
10.1016/j.tibtech.2014.08.003
Journal article

Multiple metabolomics of uropathogenic <i>E-coli</i> reveal different information content in terms of metabolic potential compared to virulence factors

AlRabiah, H., Xu, Y., Rattray, N. J. W., Vaughan, A. A., Gibreel, T., Sayqal, A., . . . Goodacre, R. (2014). Multiple metabolomics of uropathogenic <i>E-coli</i> reveal different information content in terms of metabolic potential compared to virulence factors. ANALYST, 139(17), 4193-4199. doi:10.1039/c4an00176a

DOI
10.1039/c4an00176a
Journal article

Optimization of matrix assisted desorption/ionization time of flight mass spectrometry (MALDI-TOF-MS) for the characterization of <i>Bacillus</i> and <i>Brevibacillus</i> species

AlMasoud, N., Xu, Y., Nicolaou, N., & Goodacre, R. (2014). Optimization of matrix assisted desorption/ionization time of flight mass spectrometry (MALDI-TOF-MS) for the characterization of <i>Bacillus</i> and <i>Brevibacillus</i> species. ANALYTICA CHIMICA ACTA, 840, 49-57. doi:10.1016/j.aca.2014.06.032

DOI
10.1016/j.aca.2014.06.032
Journal article

A comparative investigation of modern feature selection and classification approaches for the analysis of mass spectrometry data

Gromski, P. S., Xu, Y., Correa, E., Ellis, D. I., Turner, M. L., & Goodacre, R. (2014). A comparative investigation of modern feature selection and classification approaches for the analysis of mass spectrometry data. ANALYTICA CHIMICA ACTA, 829, 1-8. doi:10.1016/j.aca.2014.03.039

DOI
10.1016/j.aca.2014.03.039
Journal article

Electrochemical modulation of SERS at the liquid/liquid interface

Booth, S. G., Cowcher, D. P., Goodacre, R., & Dryfe, R. A. W. (2014). Electrochemical modulation of SERS at the liquid/liquid interface. CHEMICAL COMMUNICATIONS, 50(34), 4482-4484. doi:10.1039/c4cc00359d

DOI
10.1039/c4cc00359d
Journal article

A metabolomics investigation into the effects of HIV protease inhibitors on HPV16 E6 expressing cervical carcinoma cells

Kim, D. -H., Allwood, J. W., Moore, R. E., Marsden-Edwards, E., Dunn, W. B., Xu, Y., . . . Goodacre, R. (2014). A metabolomics investigation into the effects of HIV protease inhibitors on HPV16 E6 expressing cervical carcinoma cells. MOLECULAR BIOSYSTEMS, 10(3), 398-411. doi:10.1039/c3mb70423h

DOI
10.1039/c3mb70423h
Journal article

Metabolomics in melon: A new opportunity for aroma analysis

Allwood, J. W., Cheung, W., Xu, Y., Mumm, R., De Vos, R. C. H., Deborde, C., . . . Goodacre, R. (2014). Metabolomics in melon: A new opportunity for aroma analysis. PHYTOCHEMISTRY, 99, 61-72. doi:10.1016/j.phytochem.2013.12.010

DOI
10.1016/j.phytochem.2013.12.010
Journal article

Water, water, every where, but rarely any drop to drink

Goodacre, R. (2014). Water, water, every where, but rarely any drop to drink. METABOLOMICS, 10(1), 5-7. doi:10.1007/s11306-013-0618-6

DOI
10.1007/s11306-013-0618-6
Journal article

A comparison of different chemometrics approaches for the robust classification of electronic nose data

Gromski, P. S., Correa, E., Vaughan, A. A., Wedge, D. C., Turner, M. L., & Goodacre, R. (2014). A comparison of different chemometrics approaches for the robust classification of electronic nose data. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 406(29), 7581-7590. doi:10.1007/s00216-014-8216-7

DOI
10.1007/s00216-014-8216-7
Journal article

Chemometrics models for overcoming high between subject variability: applications in clinical metabolic profiling studies

Xu, Y., Fowler, S. J., Bayat, A., & Goodacre, R. (2014). Chemometrics models for overcoming high between subject variability: applications in clinical metabolic profiling studies. METABOLOMICS, 10(3), 375-385. doi:10.1007/s11306-013-0616-8

DOI
10.1007/s11306-013-0616-8
Journal article

Evidence That Multiple Defects in Lipid Regulation Occur before Hyperglycemia during the Prodrome of Type-2 Diabetes

Anderson, S. G., Dunn, W. B., Banerjee, M., Brown, M., Broadhurst, D. I., Goodacre, R., . . . Cruickshank, J. K. (2014). Evidence That Multiple Defects in Lipid Regulation Occur before Hyperglycemia during the Prodrome of Type-2 Diabetes. PLOS ONE, 9(9). doi:10.1371/journal.pone.0103217

DOI
10.1371/journal.pone.0103217
Journal article

Implementation of Fourier transform infrared spectroscopy for the rapid typing of uropathogenic <i>Escherichia coli</i>

Dawson, S. E., Gibreel, T., Nicolaou, N., AlRabiah, H., Xu, Y., Goodacre, R., & Upton, M. (2014). Implementation of Fourier transform infrared spectroscopy for the rapid typing of uropathogenic <i>Escherichia coli</i>. EUROPEAN JOURNAL OF CLINICAL MICROBIOLOGY & INFECTIOUS DISEASES, 33(6), 983-988. doi:10.1007/s10096-013-2036-0

DOI
10.1007/s10096-013-2036-0
Journal article

Metabolomics and systems pharmacology: why and how to model the human metabolic network for drug discovery

Kell, D. B., & Goodacre, R. (2014). Metabolomics and systems pharmacology: why and how to model the human metabolic network for drug discovery. DRUG DISCOVERY TODAY, 19(2), 171-182. doi:10.1016/j.drudis.2013.07.014

DOI
10.1016/j.drudis.2013.07.014
Journal article

Metabolomics and systems pharmacology: why and how to model the human metabolic network for drug discovery (vol 19, pg 171, 2014)

Kell, D. B., & Goodacre, R. (2014). Metabolomics and systems pharmacology: why and how to model the human metabolic network for drug discovery (vol 19, pg 171, 2014). DRUG DISCOVERY TODAY, 19(11), 1828. doi:10.1016/j.drudis.2014.03.019

DOI
10.1016/j.drudis.2014.03.019
Journal article

Modulation of metabolomic signature on biological treatment with etanercept in psoriasis

Foulkes, A. C., Rattray, N. J. W., Correa, E., Trivedi, D. K., Al-Sharqi, A., Parslew, R., . . . Warren, R. B. (2014). Modulation of metabolomic signature on biological treatment with etanercept in psoriasis. In BRITISH JOURNAL OF DERMATOLOGY Vol. 171 (pp. E169). Retrieved from https://www.webofscience.com/

Conference Paper

Simultaneous detection and quantification of three bacterial meningitis pathogens by SERS

Gracie, K., Correa, E., Mabbott, S., Dougan, J. A., Graham, D., Goodacre, R., & Faulds, K. (2014). Simultaneous detection and quantification of three bacterial meningitis pathogens by SERS. CHEMICAL SCIENCE, 5(3), 1030-1040. doi:10.1039/c3sc52875h

DOI
10.1039/c3sc52875h
Journal article

2013

The challenge of applying Raman spectroscopy to monitor recombinant antibody production

Ashton, L., Xu, Y., Brewster, V. L., Cowcher, D. P., Sellick, C. A., Dickson, A. J., . . . Goodacre, R. (2013). The challenge of applying Raman spectroscopy to monitor recombinant antibody production. ANALYST, 138(22), 6977-6985. doi:10.1039/c3an01341c

DOI
10.1039/c3an01341c
Journal article

Raman Activated Cell Ejection for Isolation of Single Cells

Wang, Y., Ji, Y., Wharfe, E. S., Meadows, R. S., March, P., Goodacre, R., . . . Huang, W. E. (2013). Raman Activated Cell Ejection for Isolation of Single Cells. ANALYTICAL CHEMISTRY, 85(22), 10697-10701. doi:10.1021/ac403107p

DOI
10.1021/ac403107p
Journal article

Highly sensitive detection of nitroaromatic explosives at discrete nanowire arrays

Barry, S., Dawson, K., Correa, E., Goodacre, R., & O'Riordan, A. (2013). Highly sensitive detection of nitroaromatic explosives at discrete nanowire arrays. FARADAY DISCUSSIONS, 164, 283-293. doi:10.1039/c3fd00027c

DOI
10.1039/c3fd00027c
Journal article

A novel untargeted metabolomics correlation-based network analysis incorporating human metabolic reconstructions

Kotze, H. L., Armitage, E. G., Sharkey, K. J., Allwood, J. W., Dunn, W. B., Williams, K. J., & Goodacre, R. (2013). A novel untargeted metabolomics correlation-based network analysis incorporating human metabolic reconstructions. BMC SYSTEMS BIOLOGY, 7. doi:10.1186/1752-0509-7-107

DOI
10.1186/1752-0509-7-107
Journal article

The role of reporting standards for metabolite annotation and identification in metabolomic studies

Salek, R. M., Steinbeck, C., Viant, M. R., Goodacre, R., & Dunn, W. B. (2013). The role of reporting standards for metabolite annotation and identification in metabolomic studies. GIGASCIENCE, 2. doi:10.1186/2047-217X-2-13

DOI
10.1186/2047-217X-2-13
Journal article

Illuminating disease and enlightening biomedicine: Raman spectroscopy as a diagnostic tool

Ellis, D. I., Cowcher, D. P., Ashton, L., O'Hagan, S., & Goodacre, R. (2013). Illuminating disease and enlightening biomedicine: Raman spectroscopy as a diagnostic tool. ANALYST, 138(14), 3871-3884. doi:10.1039/c3an00698k

DOI
10.1039/c3an00698k
Journal article

Integrating multiple analytical platforms and chemometrics for comprehensive metabolic profiling: application to meat spoilage detection

Xu, Y., Correa, E., & Goodacre, R. (2013). Integrating multiple analytical platforms and chemometrics for comprehensive metabolic profiling: application to meat spoilage detection. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 405(15), 5063-5074. doi:10.1007/s00216-013-6884-3

DOI
10.1007/s00216-013-6884-3
Journal article

Metabolomic analyses show that electron donor and acceptor ratios control anaerobic electron transfer pathways in <i>Shewanella oneidensis</i>

Wang, H., Correa, E., Dunn, W. B., Winder, C. L., Goodacre, R., & Lloyd, J. R. (2013). Metabolomic analyses show that electron donor and acceptor ratios control anaerobic electron transfer pathways in <i>Shewanella oneidensis</i>. METABOLOMICS, 9(3), 642-656. doi:10.1007/s11306-012-0488-3

DOI
10.1007/s11306-012-0488-3
Journal article

Metabolomics and metabolite profiling

Schuhmacher, R., Krska, R., Weckwerth, W., & Goodacre, R. (2013). Metabolomics and metabolite profiling. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 405(15), 5003-5004. doi:10.1007/s00216-013-6939-5

DOI
10.1007/s00216-013-6939-5
Journal article

Dissemination of metabolomics results: role of MetaboLights and COSMOS

Salek, R. M., Haug, K., & Steinbeck, C. (2013). Dissemination of metabolomics results: role of MetaboLights and COSMOS. GIGASCIENCE, 2. doi:10.1186/2047-217X-2-8

DOI
10.1186/2047-217X-2-8
Journal article

Monitoring Guanidinium-Induced Structural Changes in Ribonuclease Proteins Using Raman Spectroscopy and 2D Correlation Analysis

Brewster, V. L., Ashton, L., & Goodacre, R. (2013). Monitoring Guanidinium-Induced Structural Changes in Ribonuclease Proteins Using Raman Spectroscopy and 2D Correlation Analysis. ANALYTICAL CHEMISTRY, 85(7), 3570-3575. doi:10.1021/ac303265q

DOI
10.1021/ac303265q
Journal article

Investigating alginate production and carbon utilization in <i>Pseudomonas fluorescens</i> SBW25 using mass spectrometry-based metabolic profiling

Lien, S. K., Sletta, H., Ellingsen, T. E., Valla, S., Correa, E., Goodacre, R., . . . Bruheim, P. (2013). Investigating alginate production and carbon utilization in <i>Pseudomonas fluorescens</i> SBW25 using mass spectrometry-based metabolic profiling. METABOLOMICS, 9(2), 403-417. doi:10.1007/s11306-012-0454-0

DOI
10.1007/s11306-012-0454-0
Journal article

Portable, Quantitative Detection of <i>Bacillus</i> Bacterial Spores Using Surface-Enhanced Raman Scattering

Cowcher, D. P., Xu, Y., & Goodacre, R. (2013). Portable, Quantitative Detection of <i>Bacillus</i> Bacterial Spores Using Surface-Enhanced Raman Scattering. ANALYTICAL CHEMISTRY, 85(6), 3297-3302. doi:10.1021/ac303657k

DOI
10.1021/ac303657k
Journal article

High-throughput phenotyping of uropathogenic <i>E</i>. <i>coli</i> isolates with Fourier transform infrared spectroscopy

AlRabiah, H., Correa, E., Upton, M., & Goodacre, R. (2013). High-throughput phenotyping of uropathogenic <i>E</i>. <i>coli</i> isolates with Fourier transform infrared spectroscopy. ANALYST, 138(5), 1363-1369. doi:10.1039/c3an36517d

DOI
10.1039/c3an36517d
Journal article

Mass appeal: metabolite identification in mass spectrometry-focused untargeted metabolomics

Dunn, W. B., Erban, A., Weber, R. J. M., Creek, D. J., Brown, M., Breitling, R., . . . Viant, M. R. (2013). Mass appeal: metabolite identification in mass spectrometry-focused untargeted metabolomics. METABOLOMICS, 9(1), S44-S66. doi:10.1007/s11306-012-0434-4

DOI
10.1007/s11306-012-0434-4
Journal article

A comparison of Raman and FT-IR spectroscopy for the prediction of meat spoilage

Argyri, A. A., Jarvis, R. M., Wedge, D., Xu, Y., Panagou, E. Z., Goodacre, R., & Nychas, G. -J. E. (2013). A comparison of Raman and FT-IR spectroscopy for the prediction of meat spoilage. FOOD CONTROL, 29(2), 461-470. doi:10.1016/j.foodcont.2012.05.040

DOI
10.1016/j.foodcont.2012.05.040
Journal article

The devil is in the detail

Goodacre, R. (2013). The devil is in the detail. METABOLOMICS, 9(1), 1-2. doi:10.1007/s11306-013-0496-y

DOI
10.1007/s11306-013-0496-y
Journal article

Biological Methods for Metabolic Research

Cebrián, A., Menchén, L., Sánchez-López, E., Casado-Vela, J., Díaz-Moralli, S., Cascante, M., . . . Lacal, J. C. (2013). Biological Methods for Metabolic Research. In Methodologies for Metabolomics (pp. 54-76). Cambridge University Press. doi:10.1017/cbo9780511996634.004

DOI
10.1017/cbo9780511996634.004
Chapter

Optimization of Parameters for the Quantitative Surface-Enhanced Raman Scattering Detection of Mephedrone Using a Fractional Factorial Design and a Portable Raman Spectrometer

Mabbott, S., Correa, E., Cowcher, D. P., Allwood, J. W., & Goodacre, R. (2013). Optimization of Parameters for the Quantitative Surface-Enhanced Raman Scattering Detection of Mephedrone Using a Fractional Factorial Design and a Portable Raman Spectrometer. ANALYTICAL CHEMISTRY, 85(2), 923-931. doi:10.1021/ac302542r

DOI
10.1021/ac302542r
Journal article

2p or not 2p: tuppence-based SERS for the detection of illicit materials

Mabbott, S., Eckmann, A., Casiraghi, C., & Goodacre, R. (2013). 2p or not 2p: tuppence-based SERS for the detection of illicit materials. ANALYST, 138(1), 118-122. doi:10.1039/c2an35974j

DOI
10.1039/c2an35974j
Journal article

FT-IR spectroscopic investigation of bacterial cell envelopes from <i>Zymomonas mobilis</i> which have different surface hydrophobicities

Shakirova, L., Grube, M., Goodacre, R., Gavare, M., Auzina, L., & Zikmanis, P. (2013). FT-IR spectroscopic investigation of bacterial cell envelopes from <i>Zymomonas mobilis</i> which have different surface hydrophobicities. VIBRATIONAL SPECTROSCOPY, 64, 51-57. doi:10.1016/j.vibspec.2012.10.008

DOI
10.1016/j.vibspec.2012.10.008
Journal article

Flow infusion electrospray ionisation mass spectrometry for high throughput, non-targeted metabolite fingerprinting: a review

Draper, J., Lloyd, A. J., Goodacre, R., & Beckmann, M. (2013). Flow infusion electrospray ionisation mass spectrometry for high throughput, non-targeted metabolite fingerprinting: a review. METABOLOMICS, 9(1), S4-S29. doi:10.1007/s11306-012-0449-x

DOI
10.1007/s11306-012-0449-x
Journal article

Proteome and metabolome analyses for food authentication

Vaidyanathan, S., & Goodacre, R. (2003). Proteome and metabolome analyses for food authentication. In Food Authenticity and Traceability (pp. 71-100). Elsevier. doi:10.1533/9781855737181.1.71

DOI
10.1533/9781855737181.1.71
Chapter

2012

Liquid Chromatography-Mass Spectrometry Calibration Transfer and Metabolomics Data Fusion

Vaughan, A. A., Dunn, W. B., Allwood, J. W., Wedge, D. C., Blackhall, F. H., Whetton, A. D., . . . Goodacre, R. (2012). Liquid Chromatography-Mass Spectrometry Calibration Transfer and Metabolomics Data Fusion. ANALYTICAL CHEMISTRY, 84(22), 9848-9857. doi:10.1021/ac302227c

DOI
10.1021/ac302227c
Journal article

Enhancing Surface Enhanced Raman Scattering (SERS) Detection of Propranolol with Multiobjective Evolutionary Optimization

Levene, C., Correa, E., Blanch, E. W., & Goodacre, R. (2012). Enhancing Surface Enhanced Raman Scattering (SERS) Detection of Propranolol with Multiobjective Evolutionary Optimization. ANALYTICAL CHEMISTRY, 84(18), 7899-7905. doi:10.1021/ac301647a

DOI
10.1021/ac301647a
Journal article

Fingerprinting food: current technologies for the detection of food adulteration and contamination

Ellis, D. I., Brewster, V. L., Dunn, W. B., Allwood, J. W., Golovanov, A. P., & Goodacre, R. (2012). Fingerprinting food: current technologies for the detection of food adulteration and contamination. CHEMICAL SOCIETY REVIEWS, 41(17), 5706-5727. doi:10.1039/c2cs35138b

DOI
10.1039/c2cs35138b
Journal article

Dupuytren's disease metabolite analyses reveals alterations following initial short-term fibroblast culturing

Rehman, S., Xu, Y., Dunn, W. B., Day, P. J. R., Westerhoff, H. V., Goodacre, R., & Bayat, A. (2012). Dupuytren's disease metabolite analyses reveals alterations following initial short-term fibroblast culturing. MOLECULAR BIOSYSTEMS, 8(9), 2274-2288. doi:10.1039/c2mb25173f

DOI
10.1039/c2mb25173f
Journal article

Miniaturised free flow isotachophoresis of bacteria using an injection moulded separation device

Prest, J. E., Baldock, S. J., Fielden, P. R., Goddard, N. J., Goodacre, R., O'Connor, R., & Brown, B. J. T. (2012). Miniaturised free flow isotachophoresis of bacteria using an injection moulded separation device. JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES, 903, 53-59. doi:10.1016/j.jchromb.2012.06.040

DOI
10.1016/j.jchromb.2012.06.040
Journal article

Detection and Quantification of Bacterial Spoilage in Milk and Pork Meat Using MALDI-TOF-MS and Multivariate Analysis

Nicolaou, N., Xu, Y., & Goodacre, R. (2012). Detection and Quantification of Bacterial Spoilage in Milk and Pork Meat Using MALDI-TOF-MS and Multivariate Analysis. ANALYTICAL CHEMISTRY, 84(14), 5951-5958. doi:10.1021/ac300582d

DOI
10.1021/ac300582d
Journal article

Rapid reagentless quantification of alginate biosynthesis in <i>Pseudomonas fluorescens</i> bacteria mutants using FT-IR spectroscopy coupled to multivariate partial least squares regression

Correa, E., Sletta, H., Ellis, D. I., Hoel, S., Ertesvag, H., Ellingsen, T. E., . . . Goodacre, R. (2012). Rapid reagentless quantification of alginate biosynthesis in <i>Pseudomonas fluorescens</i> bacteria mutants using FT-IR spectroscopy coupled to multivariate partial least squares regression. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 403(9), 2591-2599. doi:10.1007/s00216-012-6068-6

DOI
10.1007/s00216-012-6068-6
Journal article

The optimisation of facile substrates for surface enhanced Raman scattering through galvanic replacement of silver onto copper

Mabbott, S., Larmour, I. A., Vishnyakov, V., Xu, Y., Graham, D., & Goodacre, R. (2012). The optimisation of facile substrates for surface enhanced Raman scattering through galvanic replacement of silver onto copper. ANALYST, 137(12), 2791-2798. doi:10.1039/c2an35323g

DOI
10.1039/c2an35323g
Journal article

Multiblock principal component analysis: an efficient tool for analyzing metabolomics data which contain two influential factors

Xu, Y., & Goodacre, R. (2012). Multiblock principal component analysis: an efficient tool for analyzing metabolomics data which contain two influential factors. METABOLOMICS, 8(1), S37-S51. doi:10.1007/s11306-011-0361-9

DOI
10.1007/s11306-011-0361-9
Journal article

Proof-of-principle study to detect metabolic changes in peritoneal dialysis effluent in patients who develop encapsulating peritoneal sclerosis

Dunn, W. B., Summers, A., Brown, M., Goodacre, R., Lambie, M., Johnson, T., . . . Brenchley, P. (2012). Proof-of-principle study to detect metabolic changes in peritoneal dialysis effluent in patients who develop encapsulating peritoneal sclerosis. NEPHROLOGY DIALYSIS TRANSPLANTATION, 27(6), 2502-2510. doi:10.1093/ndt/gfr662

DOI
10.1093/ndt/gfr662
Journal article

Fourier Transform Ion Cyclotron Resonance mass spectrometry for plant metabolite profiling and metabolite identification.

Allwood, J. W., Parker, D., Beckmann, M., Draper, J., & Goodacre, R. (2012). Fourier Transform Ion Cyclotron Resonance mass spectrometry for plant metabolite profiling and metabolite identification.. Methods in molecular biology (Clifton, N.J.), 860, 157-176. doi:10.1007/978-1-61779-594-7_11

DOI
10.1007/978-1-61779-594-7_11
Journal article

Separating the inseparable: the metabolomic analysis of plant-pathogen interactions.

Allwood, J. W., Heald, J., Lloyd, A. J., Goodacre, R., & Mur, L. A. J. (2012). Separating the inseparable: the metabolomic analysis of plant-pathogen interactions.. Methods in molecular biology (Clifton, N.J.), 860, 31-49. doi:10.1007/978-1-61779-594-7_3

DOI
10.1007/978-1-61779-594-7_3
Journal article

Vibrational Spectroscopy for “Food Forensics”

Brewster, V. L., & Goodacre, R. (2012). Vibrational Spectroscopy for “Food Forensics”. In Unknown Book (pp. 583-592). Wiley. doi:10.1002/9781119962328.ch9c

DOI
10.1002/9781119962328.ch9c
Chapter

Metabolomics-assisted synthetic biology

Ellis, D. I., & Goodacre, R. (2012). Metabolomics-assisted synthetic biology. CURRENT OPINION IN BIOTECHNOLOGY, 23(1), 22-28. doi:10.1016/j.copbio.2011.10.014

DOI
10.1016/j.copbio.2011.10.014
Journal article

No seven year itch for <i>Metabolomics</i>

Goodacre, R. (2012). No seven year itch for <i>Metabolomics</i>. METABOLOMICS, 8(1), 1. doi:10.1007/s11306-011-0393-1

DOI
10.1007/s11306-011-0393-1
Journal article

Automated workflows for accurate mass-based putative metabolite identification in LC/MS-derived metabolomic datasets (vol 27, pg 1108, 2011)

Brown, M., Wedge, D. C., Goodacre, R., Kell, D. B., Baker, P. N., Kenny, L. C., . . . Dunn, W. B. (2012). Automated workflows for accurate mass-based putative metabolite identification in LC/MS-derived metabolomic datasets (vol 27, pg 1108, 2011). BIOINFORMATICS, 28(1), 149. doi:10.1093/bioinformatics/btr601

DOI
10.1093/bioinformatics/btr601
Journal article

Systems biology of HIF metabolism in cancer

Armitage, E., Westerhoff, H., Kotze, H., Goodacre, R., Lockyer, N., & Williams, K. (2012). Systems biology of HIF metabolism in cancer. In MUTAGENESIS Vol. 27 (pp. 120). Retrieved from https://www.webofscience.com/

Conference Paper

Systems biology of chemotherapy in hypoxia environments

Kotze, H., Westerhoff, H., Lockyer, N., Goodacre, R., Armitage, E., & Williams, K. (2012). Systems biology of chemotherapy in hypoxia environments. In MUTAGENESIS Vol. 27 (pp. 127). Retrieved from https://www.webofscience.com/

Conference Paper

2011

Systems level studies of mammalian metabolomes: the roles of mass spectrometry and nuclear magnetic resonance spectroscopy

Dunn, W. B., Broadhurst, D. I., Atherton, H. J., Goodacre, R., & Griffin, J. L. (2011). Systems level studies of mammalian metabolomes: the roles of mass spectrometry and nuclear magnetic resonance spectroscopy. CHEMICAL SOCIETY REVIEWS, 40(1), 387-426. doi:10.1039/b906712b

DOI
10.1039/b906712b
Journal article

Metabolite Profiling of Recombinant CHO Cells: Designing Tailored Feeding Regimes That Enhance Recombinant Antibody Production

Sellick, C. A., Croxford, A. S., Maqsood, A. R., Stephens, G., Westerhoff, H. V., Goodacre, R., & Dickson, A. J. (2011). Metabolite Profiling of Recombinant CHO Cells: Designing Tailored Feeding Regimes That Enhance Recombinant Antibody Production. BIOTECHNOLOGY AND BIOENGINEERING, 108(12), 3025-3031. doi:10.1002/bit.23269

DOI
10.1002/bit.23269
Journal article

The Importance of Protonation in the Investigation of Protein Phosphorylation Using Raman Spectroscopy and Raman Optical Activity

Ashton, L., Johannessen, C., & Goodacre, R. (2011). The Importance of Protonation in the Investigation of Protein Phosphorylation Using Raman Spectroscopy and Raman Optical Activity. ANALYTICAL CHEMISTRY, 83(20), 7978-7983. doi:10.1021/ac202041f

DOI
10.1021/ac202041f
Journal article

Integration of metabolomics in heart disease and diabetes research: current achievements and future outlook

Dunn, W. B., Goodacre, R., Neyses, L., & Mamas, M. (2011). Integration of metabolomics in heart disease and diabetes research: current achievements and future outlook. BIOANALYSIS, 3(19), 2205-2222. doi:10.4155/BIO.11.223

DOI
10.4155/BIO.11.223
Journal article

Dupuytren's: a systems biology disease

Rehman, S., Goodacre, R., Day, P. J., Bayat, A., & Westerhoff, H. V. (2011). Dupuytren's: a systems biology disease. ARTHRITIS RESEARCH & THERAPY, 13(5). doi:10.1186/ar3438

DOI
10.1186/ar3438
Journal article

Is Serum or Plasma More Appropriate for Intersubject Comparisons in Metabolomic Studies? An Assessment in Patients with Small-Cell Lung Cancer

Wedge, D. C., Allwood, J. W., Dunn, W., Vaughan, A. A., Simpson, K., Brown, M., . . . Goodacre, R. (2011). Is Serum or Plasma More Appropriate for Intersubject Comparisons in Metabolomic Studies? An Assessment in Patients with Small-Cell Lung Cancer. ANALYTICAL CHEMISTRY, 83(17), 6689-6697. doi:10.1021/ac2012224

DOI
10.1021/ac2012224
Journal article

Metabolomic approaches reveal that cell wall modifications play a major role in ethylene-mediated resistance against <i>Botrytis cinerea</i>

Lloyd, A. J., Allwood, J. W., Winder, C. L., Dunn, W. B., Heald, J. K., Cristescu, S. M., . . . Mur, L. A. J. (2011). Metabolomic approaches reveal that cell wall modifications play a major role in ethylene-mediated resistance against <i>Botrytis cinerea</i>. PLANT JOURNAL, 67(5), 852-868. doi:10.1111/j.1365-313X.2011.04639.x

DOI
10.1111/j.1365-313X.2011.04639.x
Journal article

Raman spectroscopy: lighting up the future of microbial identification

Ashton, L., Lau, K., Winder, C. L., & Goodacre, R. (2011). Raman spectroscopy: lighting up the future of microbial identification. FUTURE MICROBIOLOGY, 6(9), 991-997. doi:10.2217/FMB.11.89

DOI
10.2217/FMB.11.89
Journal article

Monitoring the Glycosylation Status of Proteins Using Raman Spectroscopy

Brewster, V. L., Ashton, L., & Goodacre, R. (2011). Monitoring the Glycosylation Status of Proteins Using Raman Spectroscopy. ANALYTICAL CHEMISTRY, 83(15), 6074-6081. doi:10.1021/ac2012009

DOI
10.1021/ac2012009
Journal article

Metabolite extraction from suspension-cultured mammalian cells for global metabolite profiling

Sellick, C. A., Hansen, R., Stephens, G. M., Goodacre, R., & Dickson, A. J. (2011). Metabolite extraction from suspension-cultured mammalian cells for global metabolite profiling. NATURE PROTOCOLS, 6(8), 1241-1249. doi:10.1038/nprot.2011.366

DOI
10.1038/nprot.2011.366
Journal article

Fourier Transform Infrared and Raman Spectroscopies for the Rapid Detection, Enumeration, and Growth Interaction of the Bacteria <i>Staphylococcus aureus</i> and <i>Lactococcus lactis</i> ssp <i>cremoris</i> in Milk

Nicolaou, N., Xu, Y., & Goodacre, R. (2011). Fourier Transform Infrared and Raman Spectroscopies for the Rapid Detection, Enumeration, and Growth Interaction of the Bacteria <i>Staphylococcus aureus</i> and <i>Lactococcus lactis</i> ssp <i>cremoris</i> in Milk. ANALYTICAL CHEMISTRY, 83(14), 5681-5687. doi:10.1021/ac2008256

DOI
10.1021/ac2008256
Journal article

Screening ionic liquids for use in biotransformations with whole microbial cells

Wood, N., Ferguson, J. L., Gunaratne, H. Q. N., Seddon, K. R., Goodacre, R., & Stephens, G. M. (2011). Screening ionic liquids for use in biotransformations with whole microbial cells. GREEN CHEMISTRY, 13(7), 1843-1851. doi:10.1039/c0gc00579g

DOI
10.1039/c0gc00579g
Journal article

TARDIS-based microbial metabolomics: time and relative differences in systems

Winder, C. L., Dunn, W. B., & Goodacre, R. (2011). TARDIS-based microbial metabolomics: time and relative differences in systems. TRENDS IN MICROBIOLOGY, 19(7), 315-322. doi:10.1016/j.tim.2011.05.004

DOI
10.1016/j.tim.2011.05.004
Journal article

Procedures for large-scale metabolic profiling of serum and plasma using gas chromatography and liquid chromatography coupled to mass spectrometry

Dunn, W. B., Broadhurst, D., Begley, P., Zelena, E., Francis-McIntyre, S., Anderson, N., . . . Goodacre, R. (2011). Procedures for large-scale metabolic profiling of serum and plasma using gas chromatography and liquid chromatography coupled to mass spectrometry. NATURE PROTOCOLS, 6(7), 1060-1083. doi:10.1038/nprot.2011.335

DOI
10.1038/nprot.2011.335
Journal article

Structural, spectroscopic and redox properties of uranyl complexes with a maleonitrile containing ligand

Hardwick, H. C., Royal, D. S., Helliwell, M., Pope, S. J. A., Ashton, L., Goodacre, R., & Sharrad, C. A. (2011). Structural, spectroscopic and redox properties of uranyl complexes with a maleonitrile containing ligand. DALTON TRANSACTIONS, 40(22), 5939-5952. doi:10.1039/c0dt01580f

DOI
10.1039/c0dt01580f
Journal article

Extensive metabolic cross-talk in melon fruit revealed by spatial and developmental combinatorial metabolomics

Moing, A., Aharoni, A., Biais, B., Rogachev, I., Meir, S., Brodsky, L., . . . Hall, R. D. (2011). Extensive metabolic cross-talk in melon fruit revealed by spatial and developmental combinatorial metabolomics. NEW PHYTOLOGIST, 190(3), 683-696. doi:10.1111/j.1469-8137.2010.03626.x

DOI
10.1111/j.1469-8137.2010.03626.x
Journal article

ATR (ataxia telangiectasia mutated- and Rad3-related kinase) is activated by mild hypothermia in mammalian cells and subsequently activates p53

Roobol, A., Roobol, J., Carden, M. J., Bastide, A., Willis, A. E., Dunn, W. B., . . . Smales, C. M. (2011). ATR (ataxia telangiectasia mutated- and Rad3-related kinase) is activated by mild hypothermia in mammalian cells and subsequently activates p53. BIOCHEMICAL JOURNAL, 435, 499-508. doi:10.1042/BJ20101303

DOI
10.1042/BJ20101303
Journal article

Automated workflows for accurate mass-based putative metabolite identification in LC/MS-derived metabolomic datasets

Brown, M., Wedge, D. C., Goodacre, R., Kell, D. B., Baker, P. N., Kenny, L. C., . . . Dunn, W. B. (2011). Automated workflows for accurate mass-based putative metabolite identification in LC/MS-derived metabolomic datasets. BIOINFORMATICS, 27(8), 1108-1112. doi:10.1093/bioinformatics/btr079

DOI
10.1093/bioinformatics/btr079
Journal article

Angiotensin Converting Enzyme Exerts System Control Over Fuel Handling In Skeletal Muscle

Flueck, M., Vaughan, D., Allwood, W., Hoppeler, H., Huber-Abel, F., Rittweger, J., . . . Goodacre, R. (2011). Angiotensin Converting Enzyme Exerts System Control Over Fuel Handling In Skeletal Muscle. In FASEB JOURNAL Vol. 25. Retrieved from https://www.webofscience.com/

Conference Paper

MALDI-MS and multivariate analysis for the detection and quantification of different milk species

Nicolaou, N., Xu, Y., & Goodacre, R. (2011). MALDI-MS and multivariate analysis for the detection and quantification of different milk species. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 399(10), 3491-3502. doi:10.1007/s00216-011-4728-6

DOI
10.1007/s00216-011-4728-6
Journal article

PROGRESS IN CHEMOMETRICS AND BIOSTATISTICS FOR PLANT APPLICATIONS, OR: A GOOD RED WINE IS A BAD WHITE WINE

Kopka, J., Walther, D., Allwood, J. W., & Goodacre, R. (2011). PROGRESS IN CHEMOMETRICS AND BIOSTATISTICS FOR PLANT APPLICATIONS, OR: A GOOD RED WINE IS A BAD WHITE WINE. In BIOLOGY OF PLANT METABOLOMICS (Vol. 43, pp. 317-342). doi:10.1002/9781444339956.ch10

DOI
10.1002/9781444339956.ch10
Chapter

Metabolic profiling of meat: assessment of pork hygiene and contamination with <i>Salmonella typhimurium</i>

Xu, Y., Cheung, W., Winder, C. L., Dunn, W. B., & Goodacre, R. (2011). Metabolic profiling of meat: assessment of pork hygiene and contamination with <i>Salmonella typhimurium</i>. ANALYST, 136(3), 508-514. doi:10.1039/c0an00394h

DOI
10.1039/c0an00394h
Journal article

A genetic algorithm-Bayesian network approach for the analysis of metabolomics and spectroscopic data: application to the rapid identification of Bacillus spores and classification of Bacillus species

Correa, E., & Goodacre, R. (2011). A genetic algorithm-Bayesian network approach for the analysis of metabolomics and spectroscopic data: application to the rapid identification of Bacillus spores and classification of Bacillus species. BMC BIOINFORMATICS, 12. doi:10.1186/1471-2105-12-33

DOI
10.1186/1471-2105-12-33
Journal article

Metabolic fingerprinting as a tool to monitor whole-cell biotransformations

Winder, C. L., Cornmell, R., Schuler, S., Jarvis, R. M., Stephens, G. M., & Goodacre, R. (2011). Metabolic fingerprinting as a tool to monitor whole-cell biotransformations. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 399(1), 387-401. doi:10.1007/s00216-010-4342-z

DOI
10.1007/s00216-010-4342-z
Journal article

PLANT METABOLOMICS AND ITS POTENTIAL FOR SYSTEMS BIOLOGY RESEARCH: BACKGROUND CONCEPTS, TECHNOLOGY, AND METHODOLOGY

Allwood, J. W., De Vos, R. C. H., Moing, A., Deborde, C., Erban, A., Kopka, J., . . . Hall, R. D. (2011). PLANT METABOLOMICS AND ITS POTENTIAL FOR SYSTEMS BIOLOGY RESEARCH: BACKGROUND CONCEPTS, TECHNOLOGY, AND METHODOLOGY. METHODS IN ENZYMOLOGY, VOL 500, 500, 299-336. doi:10.1016/B978-0-12-385118-5.00016-5

DOI
10.1016/B978-0-12-385118-5.00016-5
Journal article

The role of metabolites and metabolomics in clinically applicable biomarkers of disease

Mamas, M., Dunn, W. B., Neyses, L., & Goodacre, R. (2011). The role of metabolites and metabolomics in clinically applicable biomarkers of disease. ARCHIVES OF TOXICOLOGY, 85(1), 5-17. doi:10.1007/s00204-010-0609-6

DOI
10.1007/s00204-010-0609-6
Journal article

2010

A Robot Scientist Approach Towards Optimization Of SERS

Levene, C., Correa, E., Goodacre, R., & Blanch, E. W. (2010). A Robot Scientist Approach Towards Optimization Of SERS. In XXII INTERNATIONAL CONFERENCE ON RAMAN SPECTROSCOPY Vol. 1267 (pp. 968-+). Retrieved from https://www.webofscience.com/

Conference Paper

Fourier transform infrared spectroscopy as a metabolite fingerprinting tool for monitoring the phenotypic changes in complex bacterial communities capable of degrading phenol

Wharfe, E. S., Jarvis, R. M., Winder, C. L., Whiteley, A. S., & Goodacre, R. (2010). Fourier transform infrared spectroscopy as a metabolite fingerprinting tool for monitoring the phenotypic changes in complex bacterial communities capable of degrading phenol. ENVIRONMENTAL MICROBIOLOGY, 12(12), 3253-3263. doi:10.1111/j.1462-2920.2010.02300.x

DOI
10.1111/j.1462-2920.2010.02300.x
Journal article

Phenotypic profiling of keloid scars using FT-IR microspectroscopy reveals a unique spectral signature

Hollywood, K. A., Maatje, M., Shadi, I. T., Henderson, A., McGrouther, D. A., Goodacre, R., & Bayat, A. (2010). Phenotypic profiling of keloid scars using FT-IR microspectroscopy reveals a unique spectral signature. ARCHIVES OF DERMATOLOGICAL RESEARCH, 302(10), 705-715. doi:10.1007/s00403-010-1071-2

DOI
10.1007/s00403-010-1071-2
Journal article

Raman chemical mapping reveals site of action of HIV protease inhibitors in HPV16 E6 expressing cervical carcinoma cells

Kim, D. -H., Jarvis, R. M., Allwood, J. W., Batman, G., Moore, R. E., Marsden-Edwards, E., . . . Goodacre, R. (2010). Raman chemical mapping reveals site of action of HIV protease inhibitors in HPV16 E6 expressing cervical carcinoma cells. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 398(7-8), 3051-3061. doi:10.1007/s00216-010-4283-6

DOI
10.1007/s00216-010-4283-6
Journal article

Rapid Characterization of <i>N</i>-linked Glycans from Secreted and Gel-Purified Monoclonal Antibodies Using MALDI-ToF Mass Spectrometry

Hansen, R., Dickson, A. J., Goodacre, R., Stephens, G. M., & Sellick, C. A. (2010). Rapid Characterization of <i>N</i>-linked Glycans from Secreted and Gel-Purified Monoclonal Antibodies Using MALDI-ToF Mass Spectrometry. BIOTECHNOLOGY AND BIOENGINEERING, 107(5), 902-908. doi:10.1002/bit.22879

DOI
10.1002/bit.22879
Journal article

Phenotypic Characterization of <i>Shewanella oneidensis</i> MR-1 under Aerobic and Anaerobic Growth Conditions by Using Fourier Transform Infrared Spectroscopy and High-Performance Liquid Chromatography Analyses

Wang, H., Hollywood, K., Jarvis, R. M., Lloyd, J. R., & Goodacre, R. (2010). Phenotypic Characterization of <i>Shewanella oneidensis</i> MR-1 under Aerobic and Anaerobic Growth Conditions by Using Fourier Transform Infrared Spectroscopy and High-Performance Liquid Chromatography Analyses. APPLIED AND ENVIRONMENTAL MICROBIOLOGY, 76(18), 6266-6276. doi:10.1128/AEM.00912-10

DOI
10.1128/AEM.00912-10
Journal article

Multiobjective evolutionary optimisation for surface-enhanced Raman scattering

Jarvis, R. M., Rowe, W., Yaffe, N. R., O'Connor, R., Knowles, J. D., Blanch, E. W., & Goodacre, R. (2010). Multiobjective evolutionary optimisation for surface-enhanced Raman scattering. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 397(5), 1893-1901. doi:10.1007/s00216-010-3739-z

DOI
10.1007/s00216-010-3739-z
Journal article

Novel noninvasive identification of biomarkers by analytical profiling of chronic wounds using volatile organic compounds

Thomas, A. N., Riazanskaia, S., Cheung, W., Xu, Y., Goodacre, R., Thomas, C. L. P., . . . Bayat, A. (2010). Novel noninvasive identification of biomarkers by analytical profiling of chronic wounds using volatile organic compounds. WOUND REPAIR AND REGENERATION, 18(4), 391-400. doi:10.1111/j.1524-475X.2010.00592.x

DOI
10.1111/j.1524-475X.2010.00592.x
Journal article

VOC-based metabolic profiling for food spoilage detection with the application to detecting Salmonella typhimurium-contaminated pork

Xu, Y., Cheung, W., Winder, C. L., & Goodacre, R. (2010). VOC-based metabolic profiling for food spoilage detection with the application to detecting Salmonella typhimurium-contaminated pork. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 397(6), 2439-2449. doi:10.1007/s00216-010-3771-z

DOI
10.1007/s00216-010-3771-z
Journal article

Rapid Monitoring of Recombinant Antibody Production by Mammalian Cell Cultures Using Fourier Transform Infrared Spectroscopy and Chemometrics

Sellick, C. A., Hansen, R., Jarvis, R. M., Maqsood, A. R., Stephens, G. M., Dickson, A. J., & Goodacre, R. (2010). Rapid Monitoring of Recombinant Antibody Production by Mammalian Cell Cultures Using Fourier Transform Infrared Spectroscopy and Chemometrics. BIOTECHNOLOGY AND BIOENGINEERING, 106(3), 432-442. doi:10.1002/bit.22707

DOI
10.1002/bit.22707
Journal article

Evaluation of extraction processes for intracellular metabolite profiling of mammalian cells: matching extraction approaches to cell type and metabolite targets

Sellick, C. A., Knight, D., Croxford, A. S., Maqsood, A. R., Stephens, G. M., Goodacre, R., & Dickson, A. J. (2010). Evaluation of extraction processes for intracellular metabolite profiling of mammalian cells: matching extraction approaches to cell type and metabolite targets. METABOLOMICS, 6(3), 427-438. doi:10.1007/s11306-010-0216-9

DOI
10.1007/s11306-010-0216-9
Journal article

Monitoring the Succinate Dehydrogenase Activity Isolated from Mitochondria by Surface Enhanced Raman Scattering

Hollywood, K. A., Shadi, I. T., & Goodacre, R. (2010). Monitoring the Succinate Dehydrogenase Activity Isolated from Mitochondria by Surface Enhanced Raman Scattering. JOURNAL OF PHYSICAL CHEMISTRY C, 114(16), 7308-7313. doi:10.1021/jp908950x

DOI
10.1021/jp908950x
Journal article

Quantitative Analysis of the Banned Food Dye Sudan-1 Using Surface Enhanced Raman Scattering with Multivariate Chemometrics

Cheung, W., Shadi, I. T., Xu, Y., & Goodacre, R. (2010). Quantitative Analysis of the Banned Food Dye Sudan-1 Using Surface Enhanced Raman Scattering with Multivariate Chemometrics. JOURNAL OF PHYSICAL CHEMISTRY C, 114(16), 7285-7290. doi:10.1021/jp908892n

DOI
10.1021/jp908892n
Journal article

Dual metabolomics: A novel approach to understanding plant-pathogen interactions

Allwood, J. W., Clarke, A., Goodacre, R., & Mur, L. A. J. (2010). Dual metabolomics: A novel approach to understanding plant-pathogen interactions. PHYTOCHEMISTRY, 71(5-6), 590-597. doi:10.1016/j.phytochem.2010.01.006

DOI
10.1016/j.phytochem.2010.01.006
Journal article

Monitoring the Effects of Chiral Pharmaceuticals on Aquatic Microorganisms by Metabolic Fingerprinting

Wharfe, E. S., Winder, C. L., Jarvis, R. M., & Goodacre, R. (2010). Monitoring the Effects of Chiral Pharmaceuticals on Aquatic Microorganisms by Metabolic Fingerprinting. APPLIED AND ENVIRONMENTAL MICROBIOLOGY, 76(7), 2075-2085. doi:10.1128/AEM.02395-09

DOI
10.1128/AEM.02395-09
Journal article

SERUM METABOLITE PROFILES DIFFERENTIATE CROHN'S DISEASE FROM ULCERATIVE COLITIS AND FROM HEALTHY CONTROLS

Johnston, C., Dunn, W., Broadhurst, D., Brown, M., Makin, A., Campbell, S., . . . Watson, A. J. M. (2010). SERUM METABOLITE PROFILES DIFFERENTIATE CROHN'S DISEASE FROM ULCERATIVE COLITIS AND FROM HEALTHY CONTROLS. In GUT Vol. 59 (pp. A61). doi:10.1136/gut.2009.209031s

DOI
10.1136/gut.2009.209031s
Conference Paper

An overflow of… what else but metabolism!

Goodacre, R. (2010). An overflow of… what else but metabolism!. Metabolomics, 6(1), 1-2. doi:10.1007/s11306-010-0201-3

DOI
10.1007/s11306-010-0201-3
Journal article

Impact of Silver(I) on the Metabolism of <i>Shewanella oneidensis</i>

Wang, H., Law, N., Pearson, G., van Dongen, B. E., Jarvis, R. M., Goodacre, R., & Lloyd, J. R. (2010). Impact of Silver(I) on the Metabolism of <i>Shewanella oneidensis</i>. JOURNAL OF BACTERIOLOGY, 192(4), 1143-1150. doi:10.1128/JB.01277-09

DOI
10.1128/JB.01277-09
Journal article

Metabolic acclimation to hypoxia revealed by metabolite gradients in melon fruit

Biais, B., Beauvoit, B., Allwood, J. W., Deborde, C., Maucourt, M., Goodacre, R., . . . Moing, A. (2010). Metabolic acclimation to hypoxia revealed by metabolite gradients in melon fruit. JOURNAL OF PLANT PHYSIOLOGY, 167(3), 242-245. doi:10.1016/j.jplph.2009.08.010

DOI
10.1016/j.jplph.2009.08.010
Journal article

An Introduction to Liquid Chromatography-Mass Spectrometry Instrumentation Applied in Plant Metabolomic Analyses

Allwood, J. W., & Goodacre, R. (2010). An Introduction to Liquid Chromatography-Mass Spectrometry Instrumentation Applied in Plant Metabolomic Analyses. PHYTOCHEMICAL ANALYSIS, 21(1), 33-47. doi:10.1002/pca.1187

DOI
10.1002/pca.1187
Journal article

Assessment of adaptive focused acoustics <i>versus</i> manual vortex/freeze-thaw for intracellular metabolite extraction from <i>Streptomyces lividans</i> producing recombinant proteins using GC-MS and multi-block principal component analysis

Kassama, Y., Xu, Y., Dunn, W. B., Geukens, N., Anne, J., & Goodacre, R. (2010). Assessment of adaptive focused acoustics <i>versus</i> manual vortex/freeze-thaw for intracellular metabolite extraction from <i>Streptomyces lividans</i> producing recombinant proteins using GC-MS and multi-block principal component analysis. ANALYST, 135(5), 934-942. doi:10.1039/b918163f

DOI
10.1039/b918163f
Journal article

Combining metabolic fingerprinting and footprinting to understand the phenotypic response of HPV16 E6 expressing cervical carcinoma cells exposed to the HIV anti-viral drug lopinavir

Kim, D. -H., Jarvis, R. M., Xu, Y., Oliver, A. W., Allwood, J. W., Hampson, L., . . . Goodacre, R. (2010). Combining metabolic fingerprinting and footprinting to understand the phenotypic response of HPV16 E6 expressing cervical carcinoma cells exposed to the HIV anti-viral drug lopinavir. ANALYST, 135(6), 1235-1244. doi:10.1039/b923046g

DOI
10.1039/b923046g
Journal article

Fourier transform infrared spectroscopy and multivariate analysis for the detection and quantification of different milk species

Nicolaou, N., Xu, Y., & Goodacre, R. (2010). Fourier transform infrared spectroscopy and multivariate analysis for the detection and quantification of different milk species. JOURNAL OF DAIRY SCIENCE, 93(12), 5651-5660. doi:10.3168/jds.2010-3619

DOI
10.3168/jds.2010-3619
Journal article

Non-invasive metabolomic analysis of breath using differential mobility spectrometry in patients with chronic obstructive pulmonary disease and healthy smokers

Basanta, M., Jarvis, R. M., Xu, Y., Blackburn, G., Tal-Singer, R., Woodcock, A., . . . Fowler, S. J. (2010). Non-invasive metabolomic analysis of breath using differential mobility spectrometry in patients with chronic obstructive pulmonary disease and healthy smokers. ANALYST, 135(2), 315-320. doi:10.1039/b916374c

DOI
10.1039/b916374c
Journal article

Serum Metabolite Profiles Differentiate Crohn's Disease From Ulcerative Colitis and From Healthy Controls

Johnston, C., Dunn, W., Broadhurst, D., Brown, M., Goodacre, R., Campbell, S., . . . Watson, A. J. (2010). Serum Metabolite Profiles Differentiate Crohn's Disease From Ulcerative Colitis and From Healthy Controls. In GASTROENTEROLOGY Vol. 138 (pp. S523). Retrieved from https://www.webofscience.com/

Conference Paper

Serum metabolite profiles differentiate Crohn's disease from ulcerative colitis and from healthy controls

Johnston, C., Dunn, W., Broadhurst, D., Brown, M., Makin, A., Campbell, S., . . . Watson, A. (2010). Serum metabolite profiles differentiate Crohn's disease from ulcerative colitis and from healthy controls. In BRITISH JOURNAL OF SURGERY Vol. 97 (pp. S23). Retrieved from https://www.webofscience.com/

Conference Paper

Shining Light on the Microbial World: The Application of Raman Microspectroscopy

Huang, W. E., Li, M., Jarvis, R. M., Goodacre, R., & Banwart, S. A. (2010). Shining Light on the Microbial World: The Application of Raman Microspectroscopy. ADVANCES IN APPLIED MICROBIOLOGY, VOL 70, 70, 153-186. doi:10.1016/S0065-2164(10)70005-8

DOI
10.1016/S0065-2164(10)70005-8
Journal article

2009

Inter-laboratory reproducibility of fast gas chromatography-electron impact-time of flight mass spectrometry (GC-EI-TOF/MS) based plant metabolomics

Allwood, J. W., Erban, A., de Koning, S., Dunn, W. B., Luedemann, A., Lommen, A., . . . Goodacre, R. (2009). Inter-laboratory reproducibility of fast gas chromatography-electron impact-time of flight mass spectrometry (GC-EI-TOF/MS) based plant metabolomics. METABOLOMICS, 5(4), 479-496. doi:10.1007/s11306-009-0169-z

DOI
10.1007/s11306-009-0169-z
Journal article

Development and Performance of a Gas Chromatography-Time-of-Flight Mass Spectrometry Analysis for Large-Scale Nontargeted Metabolomic Studies of Human Serum

Begley, P., Francis-McIntyre, S., Dunn, W. B., Broadhurst, D. I., Halsall, A., Tseng, A., . . . Kell, D. B. (2009). Development and Performance of a Gas Chromatography-Time-of-Flight Mass Spectrometry Analysis for Large-Scale Nontargeted Metabolomic Studies of Human Serum. ANALYTICAL CHEMISTRY, 81(16), 7038-7046. doi:10.1021/ac9011599

DOI
10.1021/ac9011599
Journal article

Biomarkers of Dietary Energy Restriction in Women at Increased Risk of Breast Cancer

Ong, K. R., Sims, A. H., Harvie, M., Chapman, M., Dunn, W. B., Broadhurst, D., . . . Howell, A. (2009). Biomarkers of Dietary Energy Restriction in Women at Increased Risk of Breast Cancer. CANCER PREVENTION RESEARCH, 2(8), 720-731. doi:10.1158/1940-6207.CAPR-09-0008

DOI
10.1158/1940-6207.CAPR-09-0008
Journal article

Quantitative analysis of methyl green using surface-enhanced resonance Raman scattering

Shadi, I. T., Cheung, W., & Goodacre, R. (2009). Quantitative analysis of methyl green using surface-enhanced resonance Raman scattering. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 394(7), 1833-1838. doi:10.1007/s00216-009-2896-4

DOI
10.1007/s00216-009-2896-4
Journal article

<SUP>1</SUP>H NMR, GC-EI-TOFMS, and Data Set Correlation for Fruit Metabolomics: Application to Spatial Metabolite Analysis in Melon

Biais, B., Allwood, J. W., Deborde, C., Xu, Y., Maucourt, M., Beauvoit, B., . . . Moing, A. (2009). <SUP>1</SUP>H NMR, GC-EI-TOFMS, and Data Set Correlation for Fruit Metabolomics: Application to Spatial Metabolite Analysis in Melon. ANALYTICAL CHEMISTRY, 81(8), 2884-2894. doi:10.1021/ac9001996

DOI
10.1021/ac9001996
Journal article

Discrimination of bacteria using pyrolysis-gas chromatography-differential mobility spectrometry (Py-GC-DMS) and chemometrics

Cheung, W., Xu, Y., Thomas, C. L. P., & Goodacre, R. (2009). Discrimination of bacteria using pyrolysis-gas chromatography-differential mobility spectrometry (Py-GC-DMS) and chemometrics. ANALYST, 134(3), 557-563. doi:10.1039/b812666f

DOI
10.1039/b812666f
Journal article

Effective Quenching Processes for Physiologically Valid Metabolite Profiling of Suspension Cultured Mammalian Cells

Sellick, C. A., Hansen, R., Maqsood, A. R., Dunn, W. B., Stephens, G. M., Goodacre, R., & Dickson, A. J. (2009). Effective Quenching Processes for Physiologically Valid Metabolite Profiling of Suspension Cultured Mammalian Cells. ANALYTICAL CHEMISTRY, 81(1), 174-183. doi:10.1021/ac8016899

DOI
10.1021/ac8016899
Journal article

Explanatory multivariate analysis of ToF-SIMS spectra for the discrimination of bacterial isolates

Vaidyanathan, S., Fletcher, J. S., Jarvis, R. M., Henderson, A., Lockyer, N. P., Goodacre, R., & Vickerman, J. C. (2009). Explanatory multivariate analysis of ToF-SIMS spectra for the discrimination of bacterial isolates. ANALYST, 134(11), 2352-2360. doi:10.1039/b907570d

DOI
10.1039/b907570d
Journal article

Imaging mass spectrometry using chemical inkjet printing reveals differential protein expression in human oral squamous cell carcinoma

Patel, S. A., Barnes, A., Loftus, N., Martin, R., Sloan, P., Thakker, N., & Goodacre, R. (2009). Imaging mass spectrometry using chemical inkjet printing reveals differential protein expression in human oral squamous cell carcinoma. ANALYST, 134(2), 301-307. doi:10.1039/b812533c

DOI
10.1039/b812533c
Journal article

Mass spectrometry tools and metabolite-specific databases for molecular identification in metabolomics

Brown, M., Dunn, W. B., Dobson, P., Patel, Y., Winder, C. L., Francis-McIntyre, S., . . . Kell, D. B. (2009). Mass spectrometry tools and metabolite-specific databases for molecular identification in metabolomics. ANALYST, 134(7), 1322-1332. doi:10.1039/b901179j

DOI
10.1039/b901179j
Journal article

Metabolomic analysis of the interaction between plants and herbivores

Jansen, J. J., Allwood, J. W., Marsden-Edwards, E., van der Putten, W. H., Goodacre, R., & van Dam, N. M. (2009). Metabolomic analysis of the interaction between plants and herbivores. METABOLOMICS, 5(1), 150-161. doi:10.1007/s11306-008-0124-4

DOI
10.1007/s11306-008-0124-4
Journal article

Optimizing CHO Cell Culture Conditions

Sellick, C. A., Maqsood, A. R., Croxford, A. S., Dickson, A. J., Goodacre, R., & Stephens, G. M. (2009). Optimizing CHO Cell Culture Conditions. GENETIC ENGINEERING & BIOTECHNOLOGY NEWS, 29(17), 56-57. Retrieved from https://www.webofscience.com/

Journal article

Serum Metabolomics Identifies Novel Signature Metabolites in Very Early Cardiac Ischaemia: First in Human Study

Mamas, M., Dunn, W., Broadhurst, D., Chacko, S., Brown, M., El-Omar, M., . . . Neyses, L. (2009). Serum Metabolomics Identifies Novel Signature Metabolites in Very Early Cardiac Ischaemia: First in Human Study. In CIRCULATION Vol. 120 (pp. S892). Retrieved from https://www.webofscience.com/

Conference Paper

2008

Regression analysis for supply chain logged data: A simulated case study on shelf life prediction

Xuan-Tien Doan., Kidd, P. T., Goodacre, R., & Grieve, B. D. (2008). Regression analysis for supply chain logged data: A simulated case study on shelf life prediction. In 2008 9th International Conference on Signal Processing (pp. 2717-2720). IEEE. doi:10.1109/icosp.2008.4697709

DOI
10.1109/icosp.2008.4697709
Conference Paper

Surface-enhanced Raman scattering from intracellular and extracellular bacterial locations

Jarvis, R. M., Law, N., Shadi, L. T., O'Brien, P., Lloyd, J. R., & Goodacre, R. (2008). Surface-enhanced Raman scattering from intracellular and extracellular bacterial locations. ANALYTICAL CHEMISTRY, 80(17), 6741-6746. doi:10.1021/ac800838v

DOI
10.1021/ac800838v
Journal article

Accumulation of ionic liquids in <i>Escherichia coli</i> cells

Cornmell, R. J., Winder, C. L., Tiddy, G. J. T., Goodacre, R., & Stephens, G. (2008). Accumulation of ionic liquids in <i>Escherichia coli</i> cells. GREEN CHEMISTRY, 10(8), 836-841. doi:10.1039/b807214k

DOI
10.1039/b807214k
Journal article

Dissecting the mechanisms of environmental stress adaptation: A systems biology approach

Cossins, A., Hayward, S., Gossage, S., & Goodacre, R. (2008). Dissecting the mechanisms of environmental stress adaptation: A systems biology approach. In COMPARATIVE BIOCHEMISTRY AND PHYSIOLOGY A-MOLECULAR & INTEGRATIVE PHYSIOLOGY Vol. 150 (pp. S43). doi:10.1016/j.cbpa.2008.04.012

DOI
10.1016/j.cbpa.2008.04.012
Conference Paper

Relatedness of medically important strains of <i>Saccharomyces cerevisiae</i> as revealed by phylogenetics and metabolomics

MacKenzie, D. A., Defernez, M., Dunn, W. B., Brown, M., Fuller, L. J., Seco de Herrera, S. R. M., . . . Roberts, I. N. (2008). Relatedness of medically important strains of <i>Saccharomyces cerevisiae</i> as revealed by phylogenetics and metabolomics. YEAST, 25(7), 501-512. doi:10.1002/yea.1601

DOI
10.1002/yea.1601
Journal article

Using a biphasic ionic liquid/water reaction system to improve oxygenase-catalysed biotransformation with whole cells

Cornmell, R. J., Winder, C. L., Schuler, S., Goodacre, R., & Stephens, G. (2008). Using a biphasic ionic liquid/water reaction system to improve oxygenase-catalysed biotransformation with whole cells. GREEN CHEMISTRY, 10(6), 685-691. doi:10.1039/b716602h

DOI
10.1039/b716602h
Journal article

Characterisation and identification of bacteria using SERS

Jarvis, R. M., & Goodacre, R. (2008). Characterisation and identification of bacteria using SERS. CHEMICAL SOCIETY REVIEWS, 37(5), 931-936. doi:10.1039/b705973f

DOI
10.1039/b705973f
Journal article

Chemical and bioanalytical applications of surface enhanced Raman scattering spectroscopy

Graham, D., & Goodacre, R. (2008). Chemical and bioanalytical applications of surface enhanced Raman scattering spectroscopy. CHEMICAL SOCIETY REVIEWS, 37(5), 883-884. doi:10.1039/b804297g

DOI
10.1039/b804297g
Journal article

Global metabolic profiling of <i>Escherichia coli</i> cultures:: An evaluation of methods for quenching and extraction of intracellular metabolites

Winder, C. L., Dunn, W. B., Schuler, S., Broadhurst, D., Jarvis, R., Stephens, G. M., & Goodacre, R. (2008). Global metabolic profiling of <i>Escherichia coli</i> cultures:: An evaluation of methods for quenching and extraction of intracellular metabolites. ANALYTICAL CHEMISTRY, 80(8), 2939-2948. doi:10.1021/ac7023409

DOI
10.1021/ac7023409
Journal article

Subsurface biomolecular imaging of <i>Streptomyces coelicolor</i> using secondary ion mass spectrometry

Vaidyanathan, S., Fletcher, J. S., Goodacre, R., Lockyer, N. P., Micklefield, J., & Vickerman, J. C. (2008). Subsurface biomolecular imaging of <i>Streptomyces coelicolor</i> using secondary ion mass spectrometry. ANALYTICAL CHEMISTRY, 80(6), 1942-1951. doi:10.1021/ac701921e

DOI
10.1021/ac701921e
Journal article

Biomarker metabolites capturing the metabolite variance present in a rice plant developmental period

Allwood, J. W., Ellis, D. I., & Goodacre, R. (2008). Biomarker metabolites capturing the metabolite variance present in a rice plant developmental period. PHYSIOLOGIA PLANTARUM, 132(2), 117-135. doi:10.1111/j.1399-3054.2007.01001.x

DOI
10.1111/j.1399-3054.2007.01001.x
Journal article

Multiplexed detection of six labelled oligonucleotides using surface enhanced resonance Raman scattering (SERRS)

Faulds, K., Jarvis, R., Smith, W. E., Graham, D., & Goodacre, R. (2008). Multiplexed detection of six labelled oligonucleotides using surface enhanced resonance Raman scattering (SERRS). ANALYST, 133(11), 1505-1512. doi:10.1039/b800506k

DOI
10.1039/b800506k
Journal article

Rapid and quantitative detection of the microbial spoilage in milk using Fourier transform infrared spectroscopy and chemometrics

Nicolaou, N., & Goodacre, R. (2008). Rapid and quantitative detection of the microbial spoilage in milk using Fourier transform infrared spectroscopy and chemometrics. ANALYST, 133(10), 1424-1431. doi:10.1039/b804439b

DOI
10.1039/b804439b
Journal article

Regression analysis for supply chain logged data: A simulated case study on shelf life prediction

Doan, X. -T., Kidd, P. T., Goodacre, R., & Grieve, B. D. (2008). Regression analysis for supply chain logged data: A simulated case study on shelf life prediction. In ICSP: 2008 9TH INTERNATIONAL CONFERENCE ON SIGNAL PROCESSING, VOLS 1-5, PROCEEDINGS (pp. 2714-+). Retrieved from https://www.webofscience.com/

Conference Paper

Spatial metabolic fingerprinting using FT-IR spectroscopy: investigating abiotic stresses on <i>Micrasterias hardyi</i>

Patel, S. A., Currie, F., Thakker, N., & Goodacre, R. (2008). Spatial metabolic fingerprinting using FT-IR spectroscopy: investigating abiotic stresses on <i>Micrasterias hardyi</i>. ANALYST, 133(12), 1707-1713. doi:10.1039/b809441a

DOI
10.1039/b809441a
Journal article

Towards quantitatively reproducible substrates for SERS

Jarvis, R. M., Johnson, H. E., Olembe, E., Panneerselvam, A., Malik, M. A., Afzaal, M., . . . Goodacre, R. (2008). Towards quantitatively reproducible substrates for SERS. ANALYST, 133(10), 1449-1452. doi:10.1039/b800340h

DOI
10.1039/b800340h
Journal article

2007

Comparison of five xylan synthesis mutants reveals new insight into the mechanisms of xylan synthesis

Brown, D. M., Goubet, F., Vicky, W. W. A., Goodacre, R., Stephens, E., Dupree, P., & Turner, S. R. (2007). Comparison of five xylan synthesis mutants reveals new insight into the mechanisms of xylan synthesis. PLANT JOURNAL, 52(6), 1154-1168. doi:10.1111/j.1365-313X.2007.03307.x

DOI
10.1111/j.1365-313X.2007.03307.x
Journal article

From phenotype to genotype: whole tissue profiling for plant breeding

Goodacre, R., Roberts, L., Ellis, D. I., Thorogood, D., Reader, S. M., Ougham, H., & King, I. (2007). From phenotype to genotype: whole tissue profiling for plant breeding. METABOLOMICS, 3(4), 489-501. doi:10.1007/s11306-007-0062-6

DOI
10.1007/s11306-007-0062-6
Journal article

Proposed minimum reporting standards for chemical analysis

Sumner, L. W., Amberg, A., Barrett, D., Beale, M. H., Beger, R., Daykin, C. A., . . . Viant, M. R. (2007). Proposed minimum reporting standards for chemical analysis. METABOLOMICS, 3(3), 211-221. doi:10.1007/s11306-007-0082-2

DOI
10.1007/s11306-007-0082-2
Journal article

Proposed minimum reporting standards for data analysis in metabolomics

Goodacre, R., Broadhurst, D., Smilde, A. K., Kristal, B. S., Baker, J. D., Beger, R., . . . Wulfert, F. (2007). Proposed minimum reporting standards for data analysis in metabolomics. METABOLOMICS, 3(3), 231-241. doi:10.1007/s11306-007-0081-3

DOI
10.1007/s11306-007-0081-3
Journal article

Metabolic fingerprinting as a diagnostic tool

Ellis, D. I., Dunn, W. B., Griffin, J. L., Allwood, J. W., & Goodacre, R. (2007). Metabolic fingerprinting as a diagnostic tool. PHARMACOGENOMICS, 8(9), 1243-1266. doi:10.2217/14622416.8.9.1243

DOI
10.2217/14622416.8.9.1243
Journal article

The metabolomics standards initiative (MSI)

Fiehn, O., Robertson, D., Griffin, J., van der Werf, M., Nikolau, B., Morrison, N., . . . Sansone, S. -A. (2007). The metabolomics standards initiative (MSI). METABOLOMICS, 3(3), 175-178. doi:10.1007/s11306-007-0070-6

DOI
10.1007/s11306-007-0070-6
Journal article

Metabolic footprinting as a tool for discriminating between brewing yeasts

Pope, G. A., MacKenzie, D. A., Defemez, M., Aroso, M. A. M. M., Fuller, L. J., Mellon, F. A., . . . Roberts, I. N. (2007). Metabolic footprinting as a tool for discriminating between brewing yeasts. YEAST, 24(8), 667-679. doi:10.1002/yea.1499

DOI
10.1002/yea.1499
Journal article

The metabolomics standards initiative

Sansone, S. -A., Fan, T., Goodacre, R., Griffin, J. L., Hardy, N. W., Kaddurah-Daouk, R., . . . Fiehn, O. (2007). The metabolomics standards initiative. NATURE BIOTECHNOLOGY, 25(8), 844-848. doi:10.1038/nbt0807-846b

DOI
10.1038/nbt0807-846b
Journal article

Laser desorption/ionization mass spectrometry on porous silicon for metabolome analyses: influence of surface oxidation

Vaidyanathan, S., Jones, D., Ellis, J., Jenkins, T., Chong, C., Anderson, M., & Goodacre, R. (2007). Laser desorption/ionization mass spectrometry on porous silicon for metabolome analyses: influence of surface oxidation. RAPID COMMUNICATIONS IN MASS SPECTROMETRY, 21(13), 2157-2166. doi:10.1002/rcm.3078

DOI
10.1002/rcm.3078
Journal article

Quantitative detection of metabolites using matrix-assisted laser desorption/ionization mass spectrometry with 9-aminoacridine as the matrix

Vaidyanathan, S., & Goodacre, R. (2007). Quantitative detection of metabolites using matrix-assisted laser desorption/ionization mass spectrometry with 9-aminoacridine as the matrix. RAPID COMMUNICATIONS IN MASS SPECTROMETRY, 21(13), 2072-2078. doi:10.1002/rcm.3063

DOI
10.1002/rcm.3063
Journal article

Rapid methods

van Amerongen, A., Barug, D., & Lauwaars, M. (Eds.) (2007). Rapid methods. In . Wageningen Academic Publishers. doi:10.3920/978-90-8686-606-9

DOI
10.3920/978-90-8686-606-9
Chapter

Metabolomics of a superorganism

Goodacre, R. (2007). Metabolomics of a superorganism. In JOURNAL OF NUTRITION Vol. 137 (pp. 259S-266S). doi:10.1093/jn/137.1.259S

DOI
10.1093/jn/137.1.259S
Conference Paper

Predicting human embryo viability: the road to non-invasive analysis of the secretome using metabolic footprinting

Brison, D. R., Hollywood, K., Arnesen, R., & Goodacre, R. (2007). Predicting human embryo viability: the road to non-invasive analysis of the secretome using metabolic footprinting. REPRODUCTIVE BIOMEDICINE ONLINE, 15(3), 296-302. doi:10.1016/S1472-6483(10)60342-2

DOI
10.1016/S1472-6483(10)60342-2
Journal article

Proteome and metabolome analyses for monitoring food quality and authenticity

Vaidyanathan, S., Lopez-Diez, C., & Goodacre, R. (2007). Proteome and metabolome analyses for monitoring food quality and authenticity. In RAPID METHODS FOR FOOD AND FEED QUALITY DETERMINATION (pp. 29-48). Retrieved from https://www.webofscience.com/

Chapter

Quantification of casein phosphorylation with conformational interpretation using Raman spectroscopy

Jarvis, R. M., Blanch, E. W., Golovanov, A. P., Screen, J., & Goodacre, R. (2007). Quantification of casein phosphorylation with conformational interpretation using Raman spectroscopy. ANALYST, 132(10), 1053-1060. doi:10.1039/b702944f

DOI
10.1039/b702944f
Journal article

2006

Rapid characterization of microbial biodegradation pathways by FT-IR spectroscopy

Huang, W. E., Hopper, D., Goodacre, R., Beckmann, M., Singer, A., & Draper, J. (2006). Rapid characterization of microbial biodegradation pathways by FT-IR spectroscopy. JOURNAL OF MICROBIOLOGICAL METHODS, 67(2), 273-280. doi:10.1016/j.mimet.2006.04.009

DOI
10.1016/j.mimet.2006.04.009
Journal article

PYCHEM: a multivariate analysis package for python

Jarvis, R. M., Broadhurst, D., Johnson, H., O'Boyle, N. M., & Goodacre, R. (2006). PYCHEM: a multivariate analysis package for python. BIOINFORMATICS, 22(20), 2565-2566. doi:10.1093/bioinformatics/btl416

DOI
10.1093/bioinformatics/btl416
Journal article

Surface-enhanced Raman scattering for the rapid discrimination of bacteria

Jarvis, R. M., Brooker, A., & Goodacre, R. (2006). Surface-enhanced Raman scattering for the rapid discrimination of bacteria. FARADAY DISCUSSIONS, 132, 281-292. doi:10.1039/b506413a

DOI
10.1039/b506413a
Journal article

Metabolic fingerprints of <i>Mycobacterium bovis</i> cluster with molecular type:: implications for genotype-phenotype links

Winder, C. L., Gordon, S. V., Dale, J., Hewinson, R. G., & Goodacre, R. (2006). Metabolic fingerprints of <i>Mycobacterium bovis</i> cluster with molecular type:: implications for genotype-phenotype links. MICROBIOLOGY-SGM, 152, 2757-2765. doi:10.1099/mic.0.28986-0

DOI
10.1099/mic.0.28986-0
Journal article

Metabolic fingerprints of Mycobacterium bovis cluster with molecular type: implications for genotype-phenotype links.

Winder, C. L., Gordon, S. V., Dale, J., Hewinson, R. G., & Goodacre, R. (2006). Metabolic fingerprints of Mycobacterium bovis cluster with molecular type: implications for genotype-phenotype links.. Microbiology (Reading, England), 152(Pt 9), 2757-2765. doi:10.1099/mic.0.28986-0

DOI
10.1099/mic.0.28986-0
Journal article

Metabolomics: Current technologies and future trends

Hollywood, K., Brison, D. R., & Goodacre, R. (2006). Metabolomics: Current technologies and future trends. PROTEOMICS, 6(17), 4716-4723. doi:10.1002/pmic.200600106

DOI
10.1002/pmic.200600106
Journal article

Using metabolic fingerprinting of plants for evaluating nitrogen deposition impacts on the landscape level

Gidman, E. A., Stevens, C. J., Goodacre, R., Broadhurst, D., Emmett, B., & Gwynn-Jones, D. (2006). Using metabolic fingerprinting of plants for evaluating nitrogen deposition impacts on the landscape level. GLOBAL CHANGE BIOLOGY, 12(8), 1460-1465. doi:10.1111/j.1365-2486.2006.01190.x

DOI
10.1111/j.1365-2486.2006.01190.x
Journal article

Rapid discrimination of the causal agents of urinary tract infection using ToF-SIMS with chemometric cluster analysis

Fletcher, J. S., Henderson, A., Jarvis, R. M., Lockyer, N. P., Vickerman, J. C., & Goodacre, R. (2006). Rapid discrimination of the causal agents of urinary tract infection using ToF-SIMS with chemometric cluster analysis. In APPLIED SURFACE SCIENCE Vol. 252 (pp. 6869-6874). doi:10.1016/j.apsusc.2006.02.153

DOI
10.1016/j.apsusc.2006.02.153
Conference Paper

ToF-SIMS studies of <i>Bacillus</i> using multivariate analysis with possible identification and taxonomic applications

Thompson, C. E., Ellis, J., Fletcher, J. S., Goodacre, R., Henderson, A., Lockyer, N. P., & Vickerman, J. C. (2006). ToF-SIMS studies of <i>Bacillus</i> using multivariate analysis with possible identification and taxonomic applications. In APPLIED SURFACE SCIENCE Vol. 252 (pp. 6719-6722). doi:10.1016/j.apsusc.2006.02.237

DOI
10.1016/j.apsusc.2006.02.237
Conference Paper

Rapid analysis of microbiological systems using SERS

Jarvis, R., Clarke, S., & Goodacre, R. (2006). Rapid analysis of microbiological systems using SERS. SURFACE-ENHANCED RAMAN SCATTERING: PHYSICS AND APPLICATIONS, 103, 397-408. Retrieved from https://www.webofscience.com/

Journal article

Metabolomic approaches reveal that phosphatidic and phosphatidyl glycerol phospholipids are major discriminatory non-polar metabolites in responses by <i>Brachypodium distachyon</i> to challenge by <i>Magnaporthe grisea</i>

Allwood, J. W., Ellis, D. I., Heald, J. K., Goodacre, R., & Mur, L. A. J. (2006). Metabolomic approaches reveal that phosphatidic and phosphatidyl glycerol phospholipids are major discriminatory non-polar metabolites in responses by <i>Brachypodium distachyon</i> to challenge by <i>Magnaporthe grisea</i>. PLANT JOURNAL, 46(3), 351-368. doi:10.1111/j.1365-313X.2006.02692.x

DOI
10.1111/j.1365-313X.2006.02692.x
Journal article

Matrix-suppressed laser desorption/ionisation mass spectrometry and its suitability for metabolome analyses

Vaidyanathan, S., Gaskell, S., & Goodacre, R. (2006). Matrix-suppressed laser desorption/ionisation mass spectrometry and its suitability for metabolome analyses. RAPID COMMUNICATIONS IN MASS SPECTROMETRY, 20(8), 1192-1198. doi:10.1002/rcm.2434

DOI
10.1002/rcm.2434
Journal article

Metabonomic evaluation of idiosyncrasy-like liver injury in rats cotreated with ranitidine and lipopolysaccharide

Maddox, J. F., Luyendyk, J. P., Cosma, G. N., Breau, A. P., Bible, R. H., Harrigan, G. G., . . . Roth, R. A. (2006). Metabonomic evaluation of idiosyncrasy-like liver injury in rats cotreated with ranitidine and lipopolysaccharide. TOXICOLOGY AND APPLIED PHARMACOLOGY, 212(1), 35-44. doi:10.1016/j.taap.2005.06.021

DOI
10.1016/j.taap.2005.06.021
Journal article

Metabonomic evaluation of idiosyncrasy-like liver injury in rats cotreated with ranitidine and lipopolysaccharide.

Maddox, J. F., Luyendyk, J. P., Cosma, G. N., Breau, A. P., Bible, R. H., Harrigan, G. G., . . . Roth, R. A. (2006). Metabonomic evaluation of idiosyncrasy-like liver injury in rats cotreated with ranitidine and lipopolysaccharide.. Toxicology and applied pharmacology, 212(1), 35-44. doi:10.1016/j.taap.2005.06.021

DOI
10.1016/j.taap.2005.06.021
Journal article

The use of chemical profiling for monitoring metabolic changes in artificial soil slurries caused by horizontal gene transfer

Huang, W. E., Goodacre, R., Elliott, G. N., Beckmann, M., Worgan, H., Bailey, M. J., . . . Draper, J. (2005). The use of chemical profiling for monitoring metabolic changes in artificial soil slurries caused by horizontal gene transfer. METABOLOMICS, 1(4), 305-315. doi:10.1007/s11306-005-0011-1

DOI
10.1007/s11306-005-0011-1
Journal article

The rapid differentiation of <i>Streptomyces</i> isolates using Fourier transform infrared spectroscopy

Zhao, H. J., Parry, R. L., Ellis, D. I., Griffith, G. W., & Goodacre, R. (2006). The rapid differentiation of <i>Streptomyces</i> isolates using Fourier transform infrared spectroscopy. VIBRATIONAL SPECTROSCOPY, 40(2), 213-218. doi:10.1016/j.vibspec.2005.09.006

DOI
10.1016/j.vibspec.2005.09.006
Journal article

Direct infusion electrospray ionization mass spectra of crude cell extracts for microbial characterizations: influence of solvent conditions on the detection of proteins

Vaidyanathan, S., O'Hagan, S., & Goodacre, R. (2006). Direct infusion electrospray ionization mass spectra of crude cell extracts for microbial characterizations: influence of solvent conditions on the detection of proteins. RAPID COMMUNICATIONS IN MASS SPECTROMETRY, 20(1), 21-30. doi:10.1002/rcm.2263

DOI
10.1002/rcm.2263
Journal article

An improved fluorescent amplified fragment length polymorphism method for typing <i>Mycobacterium tuberculosis</i>

Kassama, Y., Shemko, M., Shetty, N., Fang, Z., MacIntire, G., Gant, V., . . . Goodacre, R. (2006). An improved fluorescent amplified fragment length polymorphism method for typing <i>Mycobacterium tuberculosis</i>. JOURNAL OF CLINICAL MICROBIOLOGY, 44(1), 288-289. doi:10.1128/JCM.44.1.288-289.2006

DOI
10.1128/JCM.44.1.288-289.2006
Journal article

Differentiation of peats used in the preparation of malt for Scotch whisky production using Fourier transform infrared spectroscopy

Harrison, B., Ellis, J., Broadhurst, D., Reid, K., Goodacre, R., & Priest, F. G. (2006). Differentiation of peats used in the preparation of malt for Scotch whisky production using Fourier transform infrared spectroscopy. JOURNAL OF THE INSTITUTE OF BREWING, 112(4), 333-339. doi:10.1002/j.2050-0416.2006.tb00739.x

DOI
10.1002/j.2050-0416.2006.tb00739.x
Journal article

Metabolic fingerprinting in disease diagnosis: biomedical applications of infrared and Raman spectroscopy

Ellis, D. I., & Goodacre, R. (2006). Metabolic fingerprinting in disease diagnosis: biomedical applications of infrared and Raman spectroscopy. ANALYST, 131(8), 875-885. doi:10.1039/b602376m

DOI
10.1039/b602376m
Journal article

Quantitative detection and identification methods for microbial spoilage

Ellis, D. I., & Goodacre, R. (2006). Quantitative detection and identification methods for microbial spoilage. In Food Spoilage Microorganisms (pp. 3-27). Elsevier. doi:10.1533/9781845691417.1.3

DOI
10.1533/9781845691417.1.3
Chapter

The characterisation of <i>Arabidopsis</i> secondary cell wall synthesis using microarrays and metabolic fingerprinting

Brown, D., Turner, S., Zeef, L., Ellis, J., & Goodacre, R. (2006). The characterisation of <i>Arabidopsis</i> secondary cell wall synthesis using microarrays and metabolic fingerprinting. In COMPARATIVE BIOCHEMISTRY AND PHYSIOLOGY A-MOLECULAR & INTEGRATIVE PHYSIOLOGY Vol. 143 (pp. S138-S139). Retrieved from https://www.webofscience.com/

Conference Paper

2005

Introduction

Vaidyanathan, S., Harrigan, G. G., & Goodacre, R. (2005). Introduction. Springer US. doi:10.1007/0-387-25240-1_1

DOI
10.1007/0-387-25240-1_1
Book

Metabolome analyses: Strategies for systems biology

Vaidyanathan, S., Harrigan, G. G., & Goodacre, R. (2005). Metabolome analyses: Strategies for systems biology. doi:10.1007/0-387-25240-1

DOI
10.1007/0-387-25240-1
Book

DISCRIMINATION AND IDENTIFICATION OF MICROORGANISMS BY PYROLYSIS MASS SPECTROMETRY: FROM BURNING AMBITIONS TO COOLING EMBERS-A HISTORICAL PERSPECTIVE

Timmins, E., & Goodacre, R. (2006). DISCRIMINATION AND IDENTIFICATION OF MICROORGANISMS BY PYROLYSIS MASS SPECTROMETRY: FROM BURNING AMBITIONS TO COOLING EMBERS-A HISTORICAL PERSPECTIVE. In IDENTIFICATION OF MICROORGANISMS BY MASS SPECTROMETRY (Vol. 169, pp. 319-343). Retrieved from https://www.webofscience.com/

Chapter

HIGH-THROUGHPUT MICROBIAL CHARACTERIZATIONS USING ELECTROSPRAY IONIZATION MASS SPECTROMETRY AND ITS ROLE IN FUNCTIONAL GENOMICS

Vaidyanathan, S., & Goodacre, R. (2006). HIGH-THROUGHPUT MICROBIAL CHARACTERIZATIONS USING ELECTROSPRAY IONIZATION MASS SPECTROMETRY AND ITS ROLE IN FUNCTIONAL GENOMICS. In IDENTIFICATION OF MICROORGANISMS BY MASS SPECTROMETRY (Vol. 169, pp. 229-256). Retrieved from https://www.webofscience.com/

Chapter

A laser desorption ionisation mass spectrometry approach for high throughput metabolomics

Vaidyanathan, S., Jones, D., Broadhurst, D. I., Ellis, J., Jenkins, T., Dunn, W. B., . . . Goodacre, R. (2005). A laser desorption ionisation mass spectrometry approach for high throughput metabolomics. METABOLOMICS, 1(3), 243-250. doi:10.1007/s11306-005-0007-x

DOI
10.1007/s11306-005-0007-x
Journal article

Metabolic fingerprinting for bio-indication of nitrogen responses in <i>Calluna vulgaris</i> heath communities

Gidman, E. A., Goodacre, R., Emmett, B., Wilson, D. B., Carroll, J. A., Caporn, S. J. M., . . . Gwynn-Jones, D. (2005). Metabolic fingerprinting for bio-indication of nitrogen responses in <i>Calluna vulgaris</i> heath communities. METABOLOMICS, 1(3), 279-285. doi:10.1007/s11306-005-0004-0

DOI
10.1007/s11306-005-0004-0
Journal article

Monitoring the mode of action of antibiotics using Raman spectroscopy:: Investigating subinhibitory effects of amikacin on <i>Pseudomonas aeruginosa</i>

Lopez-Diez, E. C., Winder, C. L., Ashton, L., Currie, F., & Goodacre, R. (2005). Monitoring the mode of action of antibiotics using Raman spectroscopy:: Investigating subinhibitory effects of amikacin on <i>Pseudomonas aeruginosa</i>. ANALYTICAL CHEMISTRY, 77(9), 2901-2906. doi:10.1021/ac048147m

DOI
10.1021/ac048147m
Journal article

Genetic algorithm optimization for pre-processing and variable selection of spectroscopic data

Jarvis, R. M., & Goodacre, R. (2005). Genetic algorithm optimization for pre-processing and variable selection of spectroscopic data. BIOINFORMATICS, 21(7), 860-868. doi:10.1093/bioinformatics/bti102

DOI
10.1093/bioinformatics/bti102
Journal article

A metabolome pipeline: from concept to data to knowledge

Brown, M., Dunn, W. B., Ellis, D. I., Goodacre, R., Handl, J., Knowles, J. D., . . . Kell, D. B. (2005). A metabolome pipeline: from concept to data to knowledge. METABOLOMICS, 1(1), 39-51. doi:10.1007/s11306-005-1106-4

DOI
10.1007/s11306-005-1106-4
Journal article

Metabolomics - the way forward

Goodacre, R. (2005). Metabolomics - the way forward. METABOLOMICS, 1(1), 1-2. doi:10.1007/s11306-005-1111-7

DOI
10.1007/s11306-005-1111-7
Journal article

Biomarker discovery using metabolomics and explanatory machine learning.

Goodacre, R. (2005). Biomarker discovery using metabolomics and explanatory machine learning.. In JOURNAL OF MEDICAL GENETICS Vol. 42 (pp. S16). Retrieved from https://www.webofscience.com/

Conference Paper

Electrospray-ionization mass spectrometry of protein mixtures: Influence of instrumental settings and proteomic implications.

Vaidyanathan, S., Kell, D. B., & Goodacre, R. (2005). Electrospray-ionization mass spectrometry of protein mixtures: Influence of instrumental settings and proteomic implications.. In ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY Vol. 229 (pp. U185). Retrieved from https://www.webofscience.com/

Conference Paper

Identification of novel genes in Arabidopsis involved in secondary cell wall formation using expression profiling and reverse genetics

Brown, D. M., Zeef, L. A. H., Ellis, J., Goodacre, R., & Turner, S. R. (2005). Identification of novel genes in Arabidopsis involved in secondary cell wall formation using expression profiling and reverse genetics. PLANT CELL, 17(8), 2281-2295. doi:10.1105/tpc.105.031542

DOI
10.1105/tpc.105.031542
Journal article

Making sense of the metabolome using evolutionary computation: seeing the wood with the trees

Goodacre, R. (2005). Making sense of the metabolome using evolutionary computation: seeing the wood with the trees. In JOURNAL OF EXPERIMENTAL BOTANY Vol. 56 (pp. 245-254). doi:10.1093/jxb/eri043

DOI
10.1093/jxb/eri043
Conference Paper

Metabolomic investigations using laser desorption ionisation mass spectrometry on porous silicon

Vaidyanathan, S., Jones, D., Jenkins, T., Kell, D. B., & Goodacre, R. (2005). Metabolomic investigations using laser desorption ionisation mass spectrometry on porous silicon. In ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY Vol. 229 (pp. U245). Retrieved from https://www.webofscience.com/

Conference Paper

Rapid identification of closely related muscle foods by vibrational spectroscopy and machine learning

Ellis, D. I., Broadhurst, D., Clarke, S. J., & Goodacre, R. (2005). Rapid identification of closely related muscle foods by vibrational spectroscopy and machine learning. ANALYST, 130(12), 1648-1654. doi:10.1039/b511484e

DOI
10.1039/b511484e
Journal article

Rapid monitoring of antibiotics using Raman and surface enhanced Raman spectroscopy

Clarke, S. J., Littleford, R. E., Smith, W. E., & Goodacre, R. (2005). Rapid monitoring of antibiotics using Raman and surface enhanced Raman spectroscopy. ANALYST, 130(7), 1019-1026. doi:10.1039/b502540k

DOI
10.1039/b502540k
Journal article

Understanding the behaviour of pathogenic cells: proteome and metabolome analyses

Vaidyanathan, S., & Goodacre, R. (2005). Understanding the behaviour of pathogenic cells: proteome and metabolome analyses. In Understanding Pathogen Behaviour (pp. 3-52). Elsevier. doi:10.1533/9781845690229.1.3

DOI
10.1533/9781845690229.1.3
Chapter

2004

A proposed framework for the description of plant metabolomics experiments and their results

Jenkins, H., Hardy, N., Beckmann, M., Draper, J., Smith, A. R., Taylor, J., . . . Kell, D. B. (2004). A proposed framework for the description of plant metabolomics experiments and their results. NATURE BIOTECHNOLOGY, 22(12), 1601-1606. doi:10.1038/nbt1041

DOI
10.1038/nbt1041
Journal article

Applying Metabolic Fingerprinting to Ecology: The Use of Fourier-Transform Infrared Spectroscopy for the Rapid Screening of Plant Responses to N Deposition

Gidman, E., Goodacre, R., Emmett, B., Sheppard, L. J., Leith, I. D., & Gwynn-Jones, D. (2004). Applying Metabolic Fingerprinting to Ecology: The Use of Fourier-Transform Infrared Spectroscopy for the Rapid Screening of Plant Responses to N Deposition. Water, Air, &amp; Soil Pollution: Focus, 4(6), 251-258. doi:10.1007/s11267-004-3035-z

DOI
10.1007/s11267-004-3035-z
Journal article

Differentiation of <i>Micromonospora</i> isolates from a coastal sediment in wales on the basis of Fourier transform infrared spectroscopy, 16S rRNA sequence analysis, and the amplified fragment length polymorphism technique

Zhao, H. J., Kassama, Y., Young, M., Kell, D. B., & Goodacre, R. (2004). Differentiation of <i>Micromonospora</i> isolates from a coastal sediment in wales on the basis of Fourier transform infrared spectroscopy, 16S rRNA sequence analysis, and the amplified fragment length polymorphism technique. APPLIED AND ENVIRONMENTAL MICROBIOLOGY, 70(11), 6619-6627. doi:10.1128/AEM.70.11.6619-6627.2004

DOI
10.1128/AEM.70.11.6619-6627.2004
Journal article

A Structural and Chemical Analyser (SCA) Identification of Bacteria Labelled by Metallic Nanoparticles

Brooker, A. D., Jarvis, R. M., Goodacre, R., Bennett, R., Dawe, C. J., Leak, D. J., . . . Hill, M. R. (2004). A Structural and Chemical Analyser (SCA) Identification of Bacteria Labelled by Metallic Nanoparticles. In Microscopy and Microanalysis Vol. 10 (pp. 932-933). Oxford University Press (OUP). doi:10.1017/s1431927604882886

DOI
10.1017/s1431927604882886
Conference Paper

Enhancing Raman Spectroscopy for the Rapid Characterisation of Microorganisms

Goodacre, R., López-Díez, E. C., & Jarvis, R. M. (2004). Enhancing Raman Spectroscopy for the Rapid Characterisation of Microorganisms. In Microscopy and Microanalysis Vol. 10 (pp. 1310-1311). Oxford University Press (OUP). doi:10.1017/s1431927604883946

DOI
10.1017/s1431927604883946
Conference Paper

Selective detection of proteins in mixtures using electrospray ionization mass spectrometry: Influence of instrumental settings and implications for proteomics

Vaidyanathan, S., Kell, D. B., & Goodacre, R. (2004). Selective detection of proteins in mixtures using electrospray ionization mass spectrometry: Influence of instrumental settings and implications for proteomics. ANALYTICAL CHEMISTRY, 76(17), 5024-5032. doi:10.1021/ac049684+

DOI
10.1021/ac049684+
Journal article

Selective detection of proteins in mixtures using electrospray ionization mass spectrometry: influence of instrumental settings and implications for proteomics.

Vaidyanathan, S., Kell, D. B., & Goodacre, R. (2004). Selective detection of proteins in mixtures using electrospray ionization mass spectrometry: influence of instrumental settings and implications for proteomics.. Analytical chemistry, 76(17), 5024-5032. doi:10.1021/ac049684+

DOI
10.1021/ac049684+
Journal article

Surface-enhanced Raman spectroscopy for bacterial discrimination utilizing a scanning electron microscope with a Raman spectroscopy interface

Jarvis, R. M., Brooker, A., & Goodacre, R. (2004). Surface-enhanced Raman spectroscopy for bacterial discrimination utilizing a scanning electron microscope with a Raman spectroscopy interface. ANALYTICAL CHEMISTRY, 76(17), 5198-5202. doi:10.1021/ac049663f

DOI
10.1021/ac049663f
Journal article

Rapid and quantitative detection of the microbial spoilage of beef by Fourier transform infrared spectroscopy and machine learning

Ellis, D. I., Broadhurst, D., & Goodacre, R. (2004). Rapid and quantitative detection of the microbial spoilage of beef by Fourier transform infrared spectroscopy and machine learning. ANALYTICA CHIMICA ACTA, 514(2), 193-201. doi:10.1016/j.aca.2004.03.060

DOI
10.1016/j.aca.2004.03.060
Journal article

Metabolomics by numbers: acquiring and understanding global metabolite data

Goodacre, R., Vaidyanathan, S., Dunn, W. B., Harrigan, G. G., & Kell, D. B. (2004). Metabolomics by numbers: acquiring and understanding global metabolite data. TRENDS IN BIOTECHNOLOGY, 22(5), 245-252. doi:10.1016/j.tibtech.2004.03.007

DOI
10.1016/j.tibtech.2004.03.007
Journal article

Ultra-violet resonance Raman spectroscopy for the rapid discrimination of urinary tract infection bacteria

Jarvis, R. M., & Goodacre, R. (2004). Ultra-violet resonance Raman spectroscopy for the rapid discrimination of urinary tract infection bacteria. FEMS MICROBIOLOGY LETTERS, 232(2), 127-132. doi:10.1016/S0378-1097(04)00040-0

DOI
10.1016/S0378-1097(04)00040-0
Journal article

Metabolic profiling: pathways in discovery.

Goodacre, R. (2004). Metabolic profiling: pathways in discovery.. Drug discovery today, 9(6), 260-261. doi:10.1016/s1359-6446(04)03027-2

DOI
10.1016/s1359-6446(04)03027-2
Journal article

Application of high-throughput Fourier-transform infrared spectroscopy in toxicology studies: contribution to a study on the development of an animal model for idiosyncratic toxicity

Harrigan, G. G., LaPlante, R. H., Cosma, G. N., Cockerell, G., Goodacre, R., Maddox, J. F., . . . Roth, R. A. (2004). Application of high-throughput Fourier-transform infrared spectroscopy in toxicology studies: contribution to a study on the development of an animal model for idiosyncratic toxicity. TOXICOLOGY LETTERS, 146(3), 197-205. doi:10.1016/j.toxlet.2003.09.011

DOI
10.1016/j.toxlet.2003.09.011
Journal article

Characterization of microorganisms using UV resonance Raman spectroscopy and chemometrics

López-Díez, E. C., & Goodacre, R. (2004). Characterization of microorganisms using UV resonance Raman spectroscopy and chemometrics. ANALYTICAL CHEMISTRY, 76(3), 585-591. doi:10.1021/ac035110d

DOI
10.1021/ac035110d
Journal article

Comparison of diffuse-reflectance absorbance and attenuated total reflectance FT-IR for the discrimination of bacteria

Winder, C. L., & Goodacre, R. (2004). Comparison of diffuse-reflectance absorbance and attenuated total reflectance FT-IR for the discrimination of bacteria. ANALYST, 129(11), 1118-1122. doi:10.1039/b408169b

DOI
10.1039/b408169b
Journal article

Discrimination of bacteria using surface-enhanced Raman spectroscopy

Jarvis, R. M., & Goodacre, R. (2004). Discrimination of bacteria using surface-enhanced Raman spectroscopy. ANALYTICAL CHEMISTRY, 76(1), 40-47. doi:10.1021/ac034689c

DOI
10.1021/ac034689c
Journal article

The rapid identification of <i>Acinetobacter</i> species using Fourier transform infrared spectroscopy

Winder, C. L., Carr, E., Goodacre, R., & Seviour, R. (2004). The rapid identification of <i>Acinetobacter</i> species using Fourier transform infrared spectroscopy. JOURNAL OF APPLIED MICROBIOLOGY, 96(2), 328-339. doi:10.1046/j.1365-2672.2003.02154.x

DOI
10.1046/j.1365-2672.2003.02154.x
Journal article

Whole-organism fingerprinting of the genus <i>Carnobacterium</i> using Fourier transform infrared spectroscopy (FT-IR)

Lai, S., Goodacre, R., & Manchester, L. N. (2004). Whole-organism fingerprinting of the genus <i>Carnobacterium</i> using Fourier transform infrared spectroscopy (FT-IR). SYSTEMATIC AND APPLIED MICROBIOLOGY, 27(2), 186-191. doi:10.1078/072320204322881808

DOI
10.1078/072320204322881808
Journal article

2003

Explanatory optimization of protein mass spectrometry via genetic search

Vaidyanathan, S., Broadhurst, D. I., Kell, D. B., & Goodacre, R. (2003). Explanatory optimization of protein mass spectrometry via genetic search. ANALYTICAL CHEMISTRY, 75(23), 6679-6686. doi:10.1021/ac034669a

DOI
10.1021/ac034669a
Journal article

Rapid quantitative assessment of the adulteration of virgin olive oils with hazelnut oils using Raman spectroscopy and chemometrics

López-Díez, E. C., Bianchi, G., & Goodacre, R. (2003). Rapid quantitative assessment of the adulteration of virgin olive oils with hazelnut oils using Raman spectroscopy and chemometrics. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, 51(21), 6145-6150. doi:10.1021/jf034493d

DOI
10.1021/jf034493d
Journal article

Explanatory analysis of spectroscopic data using machine learning of simple, interpretable rules

Goodacre, R. (2003). Explanatory analysis of spectroscopic data using machine learning of simple, interpretable rules. In VIBRATIONAL SPECTROSCOPY Vol. 32 (pp. 33-45). doi:10.1016/S0924-2031(03)00045-6

DOI
10.1016/S0924-2031(03)00045-6
Conference Paper

Functional genomics via metabolic footprinting:: monitoring metabolite secretion by <i>Escherichia coli</i> tryptophan metabolism mutants using FT-IR and direct injection electrospray mass spectrometry

Kaderbhai, N. N., Broadhurst, D. I., Ellis, D. I., Goodacre, R., & Kell, D. B. (2003). Functional genomics via metabolic footprinting:: monitoring metabolite secretion by <i>Escherichia coli</i> tryptophan metabolism mutants using FT-IR and direct injection electrospray mass spectrometry. COMPARATIVE AND FUNCTIONAL GENOMICS, 4(4), 376-391. doi:10.1002/cfg.302

DOI
10.1002/cfg.302
Journal article

Investigating plant-plant interference by metabolic fingerprinting

Gidman, E., Goodacre, R., Emmett, B., Smith, A. R., & Gwynn-Jones, D. (2003). Investigating plant-plant interference by metabolic fingerprinting. PHYTOCHEMISTRY, 63(6), 705-710. doi:10.1016/S0031-9422(03)00288-7

DOI
10.1016/S0031-9422(03)00288-7
Journal article

Chemometric discrimination of unfractionated plant extracts analyzed by electrospray mass spectrometry

Goodacre, R., York, E. V., Heald, J. K., & Scott, I. M. (2003). Chemometric discrimination of unfractionated plant extracts analyzed by electrospray mass spectrometry. PHYTOCHEMISTRY, 62(6), 859-863. doi:10.1016/S0031-9422(02)00718-5

DOI
10.1016/S0031-9422(02)00718-5
Journal article

Food quality and microbial succession in ageing earthworm casts: standard microbial indices and metabolic fingerprinting

Scullion, J., Goodacre, R., Elliott, G., Wei, H., Worgan, H., Gwynn-Jones, D., . . . Draper, J. (2003). Food quality and microbial succession in ageing earthworm casts: standard microbial indices and metabolic fingerprinting. In PEDOBIOLOGIA Vol. 47 (pp. 888-894). doi:10.1078/0031-4056-00276

DOI
10.1078/0031-4056-00276
Conference Paper

Metabolic fingerprinting of salt-stressed tomatoes

Johnson, H. E., Broadhurst, D., Goodacre, R., & Smith, A. R. (2003). Metabolic fingerprinting of salt-stressed tomatoes. PHYTOCHEMISTRY, 62(6), 919-928. doi:10.1016/S0031-9422(02)00722-7

DOI
10.1016/S0031-9422(02)00722-7
Journal article

Metabolite and protein profiling of whole cells using soft-ionization mass spectrometry for rapid microbial characterization.

Vaidyanathan, S., & Goodacre, R. (2003). Metabolite and protein profiling of whole cells using soft-ionization mass spectrometry for rapid microbial characterization.. In ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY Vol. 225 (pp. U199). Retrieved from https://www.webofscience.com/

Conference Paper

Proteome and metabolome analyses for food authentication

Vaidyanathan, S., & Goodacre, R. (2003). Proteome and metabolome analyses for food authentication. In Food Authenticity and Traceability (pp. 71-100). doi:10.1533/9781855737181.1.71

DOI
10.1533/9781855737181.1.71
Chapter

UV-B radiation induced changes in litter quality affects earthworm growth and cast characteristics as determined by metabolic fingerprinting

Gwynn-Jones, D., Huang, W., Easton, G., Goodacre, R., & Scullion, J. (2003). UV-B radiation induced changes in litter quality affects earthworm growth and cast characteristics as determined by metabolic fingerprinting. In PEDOBIOLOGIA Vol. 47 (pp. 784-787). doi:10.1016/S0031-4056(04)70267-X

DOI
10.1016/S0031-4056(04)70267-X
Conference Paper

Use of earthworm casts to validate FT-IR spectroscopy as a 'sentinel' technology for high-throughput monitoring of global changes in microbial ecology

Scullion, J., Elliott, G. N., Huang, W. E., Goodacre, R., Worgan, H., Darby, R., . . . Draper, J. (2003). Use of earthworm casts to validate FT-IR spectroscopy as a 'sentinel' technology for high-throughput monitoring of global changes in microbial ecology. In PEDOBIOLOGIA Vol. 47 (pp. 440-446). doi:10.1078/0031-4056-00210

DOI
10.1078/0031-4056-00210
Conference Paper

2002

Metabolic profiling using direct infusion electrospray ionisation mass spectrometry for the characterisation of olive oils

Goodacre, R., Vaidyanathan, S., Bianchi, G., & Kell, D. B. (2002). Metabolic profiling using direct infusion electrospray ionisation mass spectrometry for the characterisation of olive oils. ANALYST, 127(11), 1457-1462. doi:10.1039/b206037j

DOI
10.1039/b206037j
Journal article

Fingerprint spectrometry methods in <i>Bacillus</i> systematics

Magee, J. T., & Goodacre, R. (2002). Fingerprint spectrometry methods in <i>Bacillus</i> systematics. In Unknown Book (pp. 254-270). doi:10.1002/9780470696743.ch17

DOI
10.1002/9780470696743.ch17
Chapter

Fluorescent amplified fragment length polymorphism probabilistic database for identification of bacterial isolates from urinary tract infections

Kassama, Y., Rooney, P. J., & Goodacre, R. (2002). Fluorescent amplified fragment length polymorphism probabilistic database for identification of bacterial isolates from urinary tract infections. JOURNAL OF CLINICAL MICROBIOLOGY, 40(8), 2795-2800. doi:10.1128/JCM.40.8.2795-2800.2002

DOI
10.1128/JCM.40.8.2795-2800.2002
Journal article

Sample preparation in matrix-assisted laser desorption ionization mass spectrometry of whole bacterial cells and the detection of high mass (&gt;20 kDa) proteins

Vaidyanathan, S., Winder, C. L., Wade, S. C., Kell, D. B., & Goodacre, R. (2002). Sample preparation in matrix-assisted laser desorption ionization mass spectrometry of whole bacterial cells and the detection of high mass (&gt;20 kDa) proteins. RAPID COMMUNICATIONS IN MASS SPECTROMETRY, 16(13), 1276-1286. doi:10.1002/rcm.713

DOI
10.1002/rcm.713
Journal article

Rapid and quantitative detection of the microbial spoilage of meat by Fourier transform infrared spectroscopy and machine learning

Ellis, D. I., Broadhurst, D., Kell, D. B., Rowland, J. J., & Goodacre, R. (2002). Rapid and quantitative detection of the microbial spoilage of meat by Fourier transform infrared spectroscopy and machine learning. APPLIED AND ENVIRONMENTAL MICROBIOLOGY, 68(6), 2822-2828. doi:10.1128/AEM.68.6.2822-2828.2002

DOI
10.1128/AEM.68.6.2822-2828.2002
Journal article

Monitoring of complex industrial bioprocesses for metabolite concentrations using modern spectroscopies and machine learning: Application to gibberellic acid production

McGovern, A. C., Broadhurst, D., Taylor, J., Kaderbhai, N., Winson, M. K., Small, D. A., . . . Goodacre, R. (2002). Monitoring of complex industrial bioprocesses for metabolite concentrations using modern spectroscopies and machine learning: Application to gibberellic acid production. BIOTECHNOLOGY AND BIOENGINEERING, 78(5), 527-538. Retrieved from https://www.webofscience.com/

Journal article

Progress toward the rapid nondestructive assessment of the floral origin of European honey using dispersive Raman spectroscopy

Goodacre, R., Radovic, B. S., & Anklam, E. (2002). Progress toward the rapid nondestructive assessment of the floral origin of European honey using dispersive Raman spectroscopy. APPLIED SPECTROSCOPY, 56(4), 521-527. doi:10.1366/0003702021954980

DOI
10.1366/0003702021954980
Journal article

Flow-injection electrospray ionization mass spectrometry of crude cell extracts for high-throughput bacterial identification

Vaidyanathan, S., Kell, D. B., & Goodacre, R. (2002). Flow-injection electrospray ionization mass spectrometry of crude cell extracts for high-throughput bacterial identification. JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY, 13(2), 118-128. doi:10.1016/S1044-0305(01)00339-7

DOI
10.1016/S1044-0305(01)00339-7
Journal article

Rapid, high-throughput microbial characterization by metabolite and protein profiling of whole cells using soft-ionization mass spectrometry.

Vaidyanathan, S., Kell, D. B., & Goodacre, R. (2002). Rapid, high-throughput microbial characterization by metabolite and protein profiling of whole cells using soft-ionization mass spectrometry.. In ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY Vol. 224 (pp. U199). Retrieved from https://www.webofscience.com/

Conference Paper

2001

Degeneration of solventogenic <i>Clostridium</i> strains monitored by Fourier transform infrared spectroscopy of bacterial cells

Schuster, K. C., Goodacre, R., Gapes, J. R., & Young, M. (2001). Degeneration of solventogenic <i>Clostridium</i> strains monitored by Fourier transform infrared spectroscopy of bacterial cells. JOURNAL OF INDUSTRIAL MICROBIOLOGY & BIOTECHNOLOGY, 27(5), 314-321. doi:10.1038/sj.jim.7000146

DOI
10.1038/sj.jim.7000146
Journal article

Discrimination of aerobic endospore-forming bacteria via electrospray-ionization mass spectrometry of whole cell suspensions

Vaidyanathan, S., Rowland, J. J., Kell, D. B., & Goodacre, R. (2001). Discrimination of aerobic endospore-forming bacteria via electrospray-ionization mass spectrometry of whole cell suspensions. ANALYTICAL CHEMISTRY, 73(17), 4134-4144. doi:10.1021/ac0103524

DOI
10.1021/ac0103524
Journal article

Contribution of pyrolysis-mass spectrometry (Py-MS) to authenticity testing of honey

Radovic, B. S., Goodacre, R., & Anklam, E. (2001). Contribution of pyrolysis-mass spectrometry (Py-MS) to authenticity testing of honey. JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS, 60(1), 79-87. doi:10.1016/S0165-2370(00)00163-7

DOI
10.1016/S0165-2370(00)00163-7
Journal article

Fourier transform infrared spectroscopy and chemometrics as a tool for the rapid detection of other vegetable fats mixed in cocoa butter

Goodacre, R., & Anklam, E. (2001). Fourier transform infrared spectroscopy and chemometrics as a tool for the rapid detection of other vegetable fats mixed in cocoa butter. JOURNAL OF THE AMERICAN OIL CHEMISTS SOCIETY, 78(10), 993-1000. doi:10.1007/s11746-001-0377-x

DOI
10.1007/s11746-001-0377-x
Journal article

Rapid and quantitative detection of the microbial spoilage of muscle foods: current status and future trends

Ellis, D. I., & Goodacre, R. (2001). Rapid and quantitative detection of the microbial spoilage of muscle foods: current status and future trends. TRENDS IN FOOD SCIENCE & TECHNOLOGY, 12(11), 414-+. doi:10.1016/S0924-2244(02)00019-5

DOI
10.1016/S0924-2244(02)00019-5
Journal article

2000

Fourier transform infrared spectroscopy of follicular fluids from large and small antral follicles

Thomas, N., Goodacre, R., Timmins, É., Gaudoin, M., & Fleming, R. (2000). Fourier transform infrared spectroscopy of follicular fluids from large and small antral follicles. HUMAN REPRODUCTION, 15(8), 1667-1671. doi:10.1093/humrep/15.8.1667

DOI
10.1093/humrep/15.8.1667
Journal article

Detection of the dipicolinic acid biomarker in <i>Bacillus</i> spores using Curie-point pyrolysis mass spectrometry and fourier transform infrared spectroscopy

Goodacre, R., Shann, B., Gilbert, R. J., Timmins, É., McGovern, A. C., Alsberg, B. K., . . . Logan, N. A. (2000). Detection of the dipicolinic acid biomarker in <i>Bacillus</i> spores using Curie-point pyrolysis mass spectrometry and fourier transform infrared spectroscopy. ANALYTICAL CHEMISTRY, 72(1), 119-127. doi:10.1021/ac990661i

DOI
10.1021/ac990661i
Journal article

Intelligent systems for the characterization of microorganisms from hyperspectral data

Goodacre, R., Burton, R., Kaderbhai, N., Timmins, E. M., Woodward, A., Rooney, P. J., & Kell, D. B. (2000). Intelligent systems for the characterization of microorganisms from hyperspectral data. In RAPID METHODS FOR ANALYSIS OF BIOLOGICAL MATERIALS IN THE ENVIRONMENT Vol. 30 (pp. 111-136). Retrieved from https://www.webofscience.com/

Conference Paper

Rapid analysis of high-dimensional bioprocesses using multivariate spectroscopies and advanced chemometrics.

Shaw, A. D., Winson, M. K., Woodward, A. M., McGovern, A. C., Davey, H. M., Kaderbhai, N., . . . Rowland, J. J. (2000). Rapid analysis of high-dimensional bioprocesses using multivariate spectroscopies and advanced chemometrics.. Advances in biochemical engineering/biotechnology, 66, 83-113. doi:10.1007/3-540-48773-5_3

DOI
10.1007/3-540-48773-5_3
Journal article

1999

Intelligent systems for the characterisation and quantification of microbial systems from advanced analytical techniques

Goodacre, R., McGovern, A. C., Timmins, E. M., Winson, M. K., Kaderbhai, N., Broadhurst, D., . . . Kell, D. B. (1999). Intelligent systems for the characterisation and quantification of microbial systems from advanced analytical techniques. In ENVIRONMENTAL MONITORING AND REMEDIATION TECHNOLOGIES II Vol. 3853 (pp. 174-184). doi:10.1117/12.372851

DOI
10.1117/12.372851
Conference Paper

Rapid analysis of the expression of heterologous proteins in <i>Escherichia coli</i> using pyrolysis mass spectrometry and Fourier transform infrared spectroscopy with chemometrics:: application to α2-interferon production

McGovern, A. C., Ernill, R., Kara, B. V., Kell, D. B., & Goodacre, R. (1999). Rapid analysis of the expression of heterologous proteins in <i>Escherichia coli</i> using pyrolysis mass spectrometry and Fourier transform infrared spectroscopy with chemometrics:: application to α2-interferon production. JOURNAL OF BIOTECHNOLOGY, 72(3), 157-167. doi:10.1016/S0168-1656(99)00128-5

DOI
10.1016/S0168-1656(99)00128-5
Journal article

Characterisation of intact microorganisms using electrospray ionisation mass spectrometry

Goodacre, R. (1999). Characterisation of intact microorganisms using electrospray ionisation mass spectrometry. FEMS Microbiology Letters, 176(1), 17-24. doi:10.1016/s0378-1097(99)00212-8

DOI
10.1016/s0378-1097(99)00212-8
Journal article

Characterisation of intact microorganisms using electrospray ionisation mass spectrometry

Goodacre, R., Heald, J. K., & Kell, D. B. (1999). Characterisation of intact microorganisms using electrospray ionisation mass spectrometry. FEMS MICROBIOLOGY LETTERS, 176(1), 17-24. doi:10.1016/S0378-1097(99)00212-8

DOI
10.1016/S0378-1097(99)00212-8
Journal article

Fourier transform infra-red (FT-IR) spectroscopy of follicular fluids from antral follicles

Thomas, N., Goodacre, R., Timmins, E. M., Mitchell, P., Jamieson, M., Yates, R., & Fleming, R. (1999). Fourier transform infra-red (FT-IR) spectroscopy of follicular fluids from antral follicles. In HUMAN REPRODUCTION Vol. 14 (pp. 173-174). doi:10.1093/humrep/14.Suppl_3.173-b

DOI
10.1093/humrep/14.Suppl_3.173-b
Conference Paper

Chemometric analyses with self organising feature maps: a worked example of the analysis of cosmetics using Raman spectroscopy.

Goodacre, R., Kaderbhai, N., McGovern, A. C., & Goodacre, E. A. (1999). Chemometric analyses with self organising feature maps: a worked example of the analysis of cosmetics using Raman spectroscopy.. In KOHONEN MAPS (pp. 335-347). doi:10.1016/B978-044450270-4/50027-9

DOI
10.1016/B978-044450270-4/50027-9
Conference Paper

Noninvasive, on-line monitoring of the biotransformation by yeast of glucose to ethanol using dispersive Raman spectroscopy and chemometrics

Shaw, A. D., Kaderbhai, N., Jones, A., Woodward, A. M., Goodacre, R., Rowland, J. J., & Kell, D. B. (1999). Noninvasive, on-line monitoring of the biotransformation by yeast of glucose to ethanol using dispersive Raman spectroscopy and chemometrics. APPLIED SPECTROSCOPY, 53(11), 1419-1428. doi:10.1366/0003702991945777

DOI
10.1366/0003702991945777
Journal article

The detection of caffeine in a variety of beverages using Curie-point pyrolysis mass spectrometry and genetic programming

Goodacre, R., & Gilbert, R. J. (1999). The detection of caffeine in a variety of beverages using Curie-point pyrolysis mass spectrometry and genetic programming. ANALYST, 124(7), 1069-1074. doi:10.1039/a901062i

DOI
10.1039/a901062i
Journal article

1998

A DRASTIC (Diffuse Reflectance Absorbance Spectroscopy Taking In Chemometrics) approach for the rapid analysis of microbial fermentation products: Quantification of aristeromycin and neplanocin A in Streptomyces citricolor broths.

Winson, M. K., Todd, M., Rudd, B. A. M., Jones, A., Alsberg, B. K., Woodward, A. M., . . . Kell, D. B. (1998). A DRASTIC (Diffuse Reflectance Absorbance Spectroscopy Taking In Chemometrics) approach for the rapid analysis of microbial fermentation products: Quantification of aristeromycin and neplanocin A in Streptomyces citricolor broths.. In NEW FRONTIERS IN SCREENING FOR MICROBIAL BIOCATALYSTS Vol. 53 (pp. 185-191). Retrieved from https://www.webofscience.com/

Conference Paper

DRASTIC (Diffuse Reflectance Absorbance Spectroscopy Taking In Chemometrics). A novel, rapid, hyperspectral, FT-IR-based approach to screening for biocatalytic activity and metabolite overproduction

Kell, D. B., Winson, M. K., Goodacre, R., Woodward, A. M., Alsberg, B. K., Jones, A., . . . Rowland, J. J. (1998). DRASTIC (Diffuse Reflectance Absorbance Spectroscopy Taking In Chemometrics). A novel, rapid, hyperspectral, FT-IR-based approach to screening for biocatalytic activity and metabolite overproduction. NEW FRONTIERS IN SCREENING FOR MICROBIAL BIOCATALYSTS, 53, 61-75. Retrieved from https://www.webofscience.com/

Journal article

Rheological phenomena occurring during the shearing flow of mayonnaise

Goshawk, J. A., Binding, D. M., Kell, D. B., & Goodacre, R. (1998). Rheological phenomena occurring during the shearing flow of mayonnaise. JOURNAL OF RHEOLOGY, 42(6), 1537-1553. doi:10.1122/1.550967

DOI
10.1122/1.550967
Journal article

Variable selection in discriminant partial least-squares analysis

Alsberg, B. K., Kell, D. B., & Goodacre, R. (1998). Variable selection in discriminant partial least-squares analysis. ANALYTICAL CHEMISTRY, 70(19), 4126-4133. doi:10.1021/ac980506o

DOI
10.1021/ac980506o
Journal article

Differentiation of brewing yeast strains by pyrolysis mass spectrometry and Fourier transform infrared spectroscopy

Timmins, E. M., Quain, D. E., & Goodacre, R. (1998). Differentiation of brewing yeast strains by pyrolysis mass spectrometry and Fourier transform infrared spectroscopy. YEAST, 14(10), 885-893. doi:3.0.CO;2-G">10.1002/(SICI)1097-0061(199807)14:10<885::AID-YEA286>3.0.CO;2-G

DOI
10.1002/(SICI)1097-0061(199807)14:10<885::AID-YEA286>3.0.CO;2-G
Journal article

Rapid identification of urinary tract infection bacteria using hyperspectral whole-organism fingerprinting and artificial neural networks

Goodacre, R., Timmins, É., Burton, R., Kaderbhai, N., Woodward, A. M., Kell, D. B., & Rooney, P. J. (1998). Rapid identification of urinary tract infection bacteria using hyperspectral whole-organism fingerprinting and artificial neural networks. MICROBIOLOGY-SGM, 144, 1157-1170. doi:10.1099/00221287-144-5-1157

DOI
10.1099/00221287-144-5-1157
Journal article

Rapid analysis of microbial systems using vibrational spectroscopy and supervised learning methods: application to the discrimination between methicillin-resistant and methicillin-susceptible Staphylococcus aureus.

Goodacre, R., Rooney, P. J., & Kell, D. B. (1998). Rapid analysis of microbial systems using vibrational spectroscopy and supervised learning methods: application to the discrimination between methicillin-resistant and methicillin-susceptible Staphylococcus aureus.. In INFRARED SPECTROSCOPY: NEW TOOL IN MEDICINE, PROCEEDINGS OF Vol. 3257 (pp. 220-229). doi:10.1117/12.306087

DOI
10.1117/12.306087
Conference Paper

The deconvolution of pyrolysis mass spectra using genetic programming: application to the identification of some Eubacterium species

Taylor, J. (1998). The deconvolution of pyrolysis mass spectra using genetic programming: application to the identification of some Eubacterium species. FEMS Microbiology Letters, 160(2), 237-246. doi:10.1016/s0378-1097(98)00038-x

DOI
10.1016/s0378-1097(98)00038-x
Journal article

The deconvolution of pyrolysis mass spectra using genetic programming:: application to the identification of some <i>Eubacterium</i> species

Taylor, J., Goodacre, R., Wade, W. G., Rowland, J. J., & Kell, D. B. (1998). The deconvolution of pyrolysis mass spectra using genetic programming:: application to the identification of some <i>Eubacterium</i> species. FEMS MICROBIOLOGY LETTERS, 160(2), 237-246. doi:10.1016/S0378-1097(98)00038-X

DOI
10.1016/S0378-1097(98)00038-X
Journal article

Chemometric analysis of diffuse reflectance-absorbance Fourier transform infrared spectra using rule induction methods: Application to the classification of Eubacterium species

Alsberg, B. K., Wade, W. G., & Goodacre, R. (1998). Chemometric analysis of diffuse reflectance-absorbance Fourier transform infrared spectra using rule induction methods: Application to the classification of Eubacterium species. APPLIED SPECTROSCOPY, 52(6), 823-832. doi:10.1366/0003702981944562

DOI
10.1366/0003702981944562
Journal article

Discrimination between methicillin-resistant and methicillin-susceptible <i>Staphylococcus aureus</i> using pyrolysis mass spectrometry and artificial neural networks

Goodacre, R., Rooney, P. J., & Kell, D. B. (1998). Discrimination between methicillin-resistant and methicillin-susceptible <i>Staphylococcus aureus</i> using pyrolysis mass spectrometry and artificial neural networks. JOURNAL OF ANTIMICROBIAL CHEMOTHERAPY, 41(1), 27-34. doi:10.1093/jac/41.1.27

DOI
10.1093/jac/41.1.27
Journal article

Rapid differentiation of closely related <i>Candida</i> species and strains by pyrolysis mass spectrometry and Fourier transform-infrared spectroscopy

Timmins, E. M., Howell, S. A., Alsberg, B. K., Noble, W. C., & Goodacre, R. (1998). Rapid differentiation of closely related <i>Candida</i> species and strains by pyrolysis mass spectrometry and Fourier transform-infrared spectroscopy. JOURNAL OF CLINICAL MICROBIOLOGY, 36(2), 367-374. doi:10.1128/JCM.36.2.367-374.1998

DOI
10.1128/JCM.36.2.367-374.1998
Journal article

1997

Genetic programming: A novel method for the quantitative analysis of pyrolysis mass spectral data

Gilbert, R. J., Goodacre, R., Woodward, A. M., & Kell, D. B. (1997). Genetic programming: A novel method for the quantitative analysis of pyrolysis mass spectral data. ANALYTICAL CHEMISTRY, 69(21), 4381-4389. doi:10.1021/ac970460j

DOI
10.1021/ac970460j
Journal article

Classification of pyrolysis mass spectra by fuzzy multivariate rule induction-comparison with regression, K-nearest neighbour, neural and decision-tree methods

Alsberg, B. K., Goodacre, R., Rowland, J. J., & Kell, D. B. (1997). Classification of pyrolysis mass spectra by fuzzy multivariate rule induction-comparison with regression, K-nearest neighbour, neural and decision-tree methods. In ANALYTICA CHIMICA ACTA Vol. 348 (pp. 389-407). doi:10.1016/S0003-2670(97)00064-0

DOI
10.1016/S0003-2670(97)00064-0
Conference Paper

Diffuse reflectance absorbance spectroscopy taking in chemometrics (DRASTIC). A hyperspectral FT-IR-based approach to rapid screening for metabolite overproduction

Winson, M. K., Goodacre, R., Timmins, E. M., Jones, A., Alsberg, B. K., Woodward, A. M., . . . Kell, D. B. (1997). Diffuse reflectance absorbance spectroscopy taking in chemometrics (DRASTIC). A hyperspectral FT-IR-based approach to rapid screening for metabolite overproduction. In ANALYTICA CHIMICA ACTA Vol. 348 (pp. 273-282). doi:10.1016/S0003-2670(97)00237-7

DOI
10.1016/S0003-2670(97)00237-7
Conference Paper

Genetic algorithms as a method for variable selection in multiple linear regression and partial least squares regression, with applications to pyrolysis mass spectrometry

Broadhurst, D., Goodacre, R., Jones, A., Rowland, J. J., & Kell, D. B. (1997). Genetic algorithms as a method for variable selection in multiple linear regression and partial least squares regression, with applications to pyrolysis mass spectrometry. In ANALYTICA CHIMICA ACTA Vol. 348 (pp. 71-86). doi:10.1016/S0003-2670(97)00065-2

DOI
10.1016/S0003-2670(97)00065-2
Conference Paper

On mass spectrometer instrument standardization and interlaboratory calibration transfer using neural networks

Goodacre, R., Timmins, E. M., Jones, A., Kell, D. B., Maddock, J., Heginbothom, M. L., & Magee, J. T. (1997). On mass spectrometer instrument standardization and interlaboratory calibration transfer using neural networks. In ANALYTICA CHIMICA ACTA Vol. 348 (pp. 511-532). doi:10.1016/S0003-2670(97)00062-7

DOI
10.1016/S0003-2670(97)00062-7
Conference Paper

An epidemiological study of Staphylococcus intermedius strains isolated from dogs, their owners and veterinary surgeons

Goodacre, R., Harvey, R., Howell, S. A., Greenham, L. W., & Noble, W. C. (1997). An epidemiological study of Staphylococcus intermedius strains isolated from dogs, their owners and veterinary surgeons. JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS, 44(1), 49-64. doi:10.1016/S0165-2370(97)00076-4

DOI
10.1016/S0165-2370(97)00076-4
Journal article

Determination of the geographical origin of Italian extra virgin olive oil using pyrolysis mass spectrometry and artificial neural networks

Salter, G. J., Lazzari, M., Giansante, L., Goodacre, R., Jones, A., Surricchio, G., . . . Bianchi, G. (1997). Determination of the geographical origin of Italian extra virgin olive oil using pyrolysis mass spectrometry and artificial neural networks. JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS, 40-1, 159-170. doi:10.1016/S0165-2370(96)00975-8

DOI
10.1016/S0165-2370(96)00975-8
Journal article

Quantitative analysis of the adulteration of orange juice with sucrose using pyrolysis mass spectrometry and chemometrics

Goodacre, R., Hammond, D., & Kell, D. B. (1997). Quantitative analysis of the adulteration of orange juice with sucrose using pyrolysis mass spectrometry and chemometrics. In JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS Vol. 40-1 (pp. 135-158). doi:10.1016/S0165-2370(96)00973-4

DOI
10.1016/S0165-2370(96)00973-4
Conference Paper

Rapid quantitative analysis of binary mixtures of Escherichia coli strains using pyrolysis mass spectrometry with multivariate calibration and artificial neural networks

Timmins, E. M., & Goodacre, R. (1997). Rapid quantitative analysis of binary mixtures of Escherichia coli strains using pyrolysis mass spectrometry with multivariate calibration and artificial neural networks. JOURNAL OF APPLIED MICROBIOLOGY, 83(2), 208-218. doi:10.1046/j.1365-2672.1997.00218.x

DOI
10.1046/j.1365-2672.1997.00218.x
Journal article

Use of pyrolysis mass spectrometry with supervised learning for the assessment of the adulteration of milk of different species

Goodacre, R. (1997). Use of pyrolysis mass spectrometry with supervised learning for the assessment of the adulteration of milk of different species. APPLIED SPECTROSCOPY, 51(8), 1144-1153. doi:10.1366/0003702971941665

DOI
10.1366/0003702971941665
Journal article

1996

Rapid identification of Streptococcus and Enterococcus species using diffuse reflectance-absorbance Fourier transform infrared spectroscopy and artificial neural networks

Goodacre, R. (1996). Rapid identification of Streptococcus and Enterococcus species using diffuse reflectance-absorbance Fourier transform infrared spectroscopy and artificial neural networks. FEMS Microbiology Letters, 140(2-3), 233-239. doi:10.1016/0378-1097(96)00186-3

DOI
10.1016/0378-1097(96)00186-3
Journal article

Rapid identification of Streptococcus and Enterococcus species using diffuse reflectance-absorbance Fourier transform infrared spectroscopy and artificial neural networks.

Goodacre, R., Timmins, E. M., Rooney, P. J., Rowland, J. J., & Kell, D. B. (1996). Rapid identification of Streptococcus and Enterococcus species using diffuse reflectance-absorbance Fourier transform infrared spectroscopy and artificial neural networks.. FEMS microbiology letters, 140(2-3), 233-239. doi:10.1016/0378-1097(96)00186-3

DOI
10.1016/0378-1097(96)00186-3
Journal article

Identification and discrimination of oral asaccharolytic Eubacterium spp by pyrolysis mass spectrometry and artificial neural networks

Goodacre, R., Hiom, S. J., Cheeseman, S. L., Murdoch, D., Weightman, A. J., & Wade, W. G. (1996). Identification and discrimination of oral asaccharolytic Eubacterium spp by pyrolysis mass spectrometry and artificial neural networks. CURRENT MICROBIOLOGY, 32(2), 77-84. doi:10.1007/s002849900014

DOI
10.1007/s002849900014
Journal article

Pyrolysis mass spectrometry and its applications in biotechnology

Goodacre, R., & Kell, D. B. (1996). Pyrolysis mass spectrometry and its applications in biotechnology. CURRENT OPINION IN BIOTECHNOLOGY, 7(1), 20-28. doi:10.1016/S0958-1669(96)80090-5

DOI
10.1016/S0958-1669(96)80090-5
Journal article

Correction of mass spectral drift using artificial neural networks

Goodacre, R., & Kell, D. B. (1996). Correction of mass spectral drift using artificial neural networks. ANALYTICAL CHEMISTRY, 68(2), 271-280. doi:10.1021/ac950671t

DOI
10.1021/ac950671t
Journal article

Plant seed classification using pyrolysis mass spectrometry with unsupervised learning: The application of auto-associative and Kohonen artificial neural networks

Goodacre, R., Pygall, J., & Kell, D. B. (1996). Plant seed classification using pyrolysis mass spectrometry with unsupervised learning: The application of auto-associative and Kohonen artificial neural networks. CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 34(1), 69-83. doi:10.1016/0169-7439(96)00021-4

DOI
10.1016/0169-7439(96)00021-4
Journal article

Quantitative analysis of multivariate data using artificial neural networks: A tutorial review and applications to the deconvolution of pyrolysis mass spectra

Goodacre, R., Neal, M. J., & Kell, D. B. (1996). Quantitative analysis of multivariate data using artificial neural networks: A tutorial review and applications to the deconvolution of pyrolysis mass spectra. ZENTRALBLATT FUR BAKTERIOLOGIE-INTERNATIONAL JOURNAL OF MEDICAL MICROBIOLOGY VIROLOGY PARASITOLOGY AND INFECTIOUS DISEASES, 284(4), 516-539. doi:10.1016/S0934-8840(96)80004-1

DOI
10.1016/S0934-8840(96)80004-1
Journal article

Rapid authentication of animal cell lines using pyrolysis mass spectrometry and auto-associative artificial neural networks

Goodacre, R., Rischert, D. J., Evans, P. M., & Kell, D. B. (1996). Rapid authentication of animal cell lines using pyrolysis mass spectrometry and auto-associative artificial neural networks. CYTOTECHNOLOGY, 21(3), 231-241. doi:10.1007/BF00365346

DOI
10.1007/BF00365346
Journal article

Rapid identification of Streptococcus and Enterococcus species using diffuse reflectance-absorbance Fourier transform infrared spectroscopy and artificial neural networks

Goodacre, R., Timmins, E. M., Rooney, P. J., Rowland, J. J., & Kell, D. B. (1996). Rapid identification of Streptococcus and Enterococcus species using diffuse reflectance-absorbance Fourier transform infrared spectroscopy and artificial neural networks. FEMS MICROBIOLOGY LETTERS, 140(2-3), 233-239. doi:10.1111/j.1574-6968.1996.tb08342.x

DOI
10.1111/j.1574-6968.1996.tb08342.x
Journal article

Sub-species discrimination, using pyrolysis mass spectrometry and self-organising neural networks, of Propionibacterium acnes isolated from normal human skin

Goodacre, R., Howell, S. A., Noble, W. C., & Neal, M. J. (1996). Sub-species discrimination, using pyrolysis mass spectrometry and self-organising neural networks, of Propionibacterium acnes isolated from normal human skin. ZENTRALBLATT FUR BAKTERIOLOGIE-INTERNATIONAL JOURNAL OF MEDICAL MICROBIOLOGY VIROLOGY PARASITOLOGY AND INFECTIOUS DISEASES, 284(4), 501-515. doi:10.1016/S0934-8840(96)80003-X

DOI
10.1016/S0934-8840(96)80003-X
Journal article

1995

RAPID AND QUANTITATIVE-ANALYSIS OF METABOLITES IN FERMENTER BROTHS USING PYROLYSIS MASS-SPECTROMETRY WITH SUPERVISED LEARNING - APPLICATION TO THE SCREENING OF PENICILLIUM-CHRYSOGENUM FERMENTATIONS FOR THE OVERPRODUCTION OF PENICILLINS

GOODACRE, R., TREW, S., WRIGLEYJONES, C., SAUNDERS, G., NEAL, M. J., PORTER, N., & KELL, D. B. (1995). RAPID AND QUANTITATIVE-ANALYSIS OF METABOLITES IN FERMENTER BROTHS USING PYROLYSIS MASS-SPECTROMETRY WITH SUPERVISED LEARNING - APPLICATION TO THE SCREENING OF PENICILLIUM-CHRYSOGENUM FERMENTATIONS FOR THE OVERPRODUCTION OF PENICILLINS. ANALYTICA CHIMICA ACTA, 313(1-2), 25-43. doi:10.1016/0003-2670(95)00170-5

DOI
10.1016/0003-2670(95)00170-5
Journal article

PHENOTYPIC AND GENOTYPIC DIFFERENCES BETWEEN CERTAIN STRAINS OF CLOSTRIDIUM-ACETOBUTYLICUM

WILKINSON, S. R., YOUNG, M., GOODACRE, R., MORRIS, J. G., FARROW, J. A. E., & COLLINS, M. D. (1995). PHENOTYPIC AND GENOTYPIC DIFFERENCES BETWEEN CERTAIN STRAINS OF CLOSTRIDIUM-ACETOBUTYLICUM. FEMS MICROBIOLOGY LETTERS, 125(2-3), 199-204. Retrieved from https://www.webofscience.com/

Journal article

Phenotypic and genotypic differences between certain strains of Clostridium acetobutylicum

Wilkinson, S. (1995). Phenotypic and genotypic differences between certain strains of Clostridium acetobutylicum. FEMS Microbiology Letters, 125(2-3), 199-204. doi:10.1016/0378-1097(94)00498-g

DOI
10.1016/0378-1097(94)00498-g
Journal article

CHARACTERIZATION OF CARNOBACTERIUM SPECIES BY PYROLYSIS MASS-SPECTROMETRY

MANCHESTER, L. N., TOOLE, A., & GOODACRE, R. (1995). CHARACTERIZATION OF CARNOBACTERIUM SPECIES BY PYROLYSIS MASS-SPECTROMETRY. JOURNAL OF APPLIED BACTERIOLOGY, 78(1), 88-96. doi:10.1111/j.1365-2672.1995.tb01678.x

DOI
10.1111/j.1365-2672.1995.tb01678.x
Journal article

IDENTIFICATION OF ORAL EUBACTERIUM SPP BY PYROLYSIS MASS-SPECTROMETRY

NEAL, M. J., GOODACRE, R., HIOM, S., WEIGHTMAN, A. J., & WADE, W. G. (1995). IDENTIFICATION OF ORAL EUBACTERIUM SPP BY PYROLYSIS MASS-SPECTROMETRY. In JOURNAL OF DENTAL RESEARCH Vol. 74 (pp. 886). Retrieved from https://www.webofscience.com/

Conference Paper

1994

RAPID SCREENING FOR METABOLITE OVERPRODUCTION IN FERMENTOR BROTHS, USING PYROLYSIS MASS-SPECTROMETRY WITH MULTIVARIATE CALIBRATION AND ARTIFICIAL NEURAL NETWORKS

GOODACRE, R., TREW, S., WRIGLEYJONES, C., NEAL, M. J., MADDOCK, J., OTTLEY, T. W., . . . KELL, D. B. (1994). RAPID SCREENING FOR METABOLITE OVERPRODUCTION IN FERMENTOR BROTHS, USING PYROLYSIS MASS-SPECTROMETRY WITH MULTIVARIATE CALIBRATION AND ARTIFICIAL NEURAL NETWORKS. BIOTECHNOLOGY AND BIOENGINEERING, 44(10), 1205-1216. doi:10.1002/bit.260441008

DOI
10.1002/bit.260441008
Journal article

THE IDENTIFICATION OF BRADYRHIZOBIUM-JAPONICUM STRAINS ISOLATED FROM ITALIAN SOILS

KAY, H. E., COUTINHO, H. L. C., FATTORI, M., MANFIO, G. P., GOODACRE, R., NUTI, M. P., . . . BERINGER, J. E. (1994). THE IDENTIFICATION OF BRADYRHIZOBIUM-JAPONICUM STRAINS ISOLATED FROM ITALIAN SOILS. MICROBIOLOGY-UK, 140, 2333-2339. doi:10.1099/13500872-140-9-2333

DOI
10.1099/13500872-140-9-2333
Journal article

RAPID AND QUANTITATIVE-ANALYSIS OF RECOMBINANT PROTEIN EXPRESSION USING PYROLYSIS MASS-SPECTROMETRY AND ARTIFICIAL NEURAL NETWORKS - APPLICATION TO MAMMALIAN CYTOCHROME B(5) IN ESCHERICHIA-COLI

GOODACRE, R., KARIM, A., KADERBHAI, M. A., & KELL, D. B. (1994). RAPID AND QUANTITATIVE-ANALYSIS OF RECOMBINANT PROTEIN EXPRESSION USING PYROLYSIS MASS-SPECTROMETRY AND ARTIFICIAL NEURAL NETWORKS - APPLICATION TO MAMMALIAN CYTOCHROME B(5) IN ESCHERICHIA-COLI. JOURNAL OF BIOTECHNOLOGY, 34(2), 185-193. doi:10.1016/0168-1656(94)90088-4

DOI
10.1016/0168-1656(94)90088-4
Journal article

RAPID AND QUANTITATIVE-ANALYSIS OF THE PYROLYSIS MASS-SPECTRA OF COMPLEX BINARY AND TERTIARY MIXTURES USING MULTIVARIATE CALIBRATION AND ARTIFICIAL NEURAL NETWORKS

GOODACRE, R., NEAL, M. J., & KELL, D. B. (1994). RAPID AND QUANTITATIVE-ANALYSIS OF THE PYROLYSIS MASS-SPECTRA OF COMPLEX BINARY AND TERTIARY MIXTURES USING MULTIVARIATE CALIBRATION AND ARTIFICIAL NEURAL NETWORKS. ANALYTICAL CHEMISTRY, 66(7), 1070-1085. doi:10.1021/ac00079a024

DOI
10.1021/ac00079a024
Journal article

RAPID IDENTIFICATION OF SPECIES WITHIN THE MYCOBACTERIUM-TUBERCULOSIS COMPLEX BY ARTIFICIAL NEURAL-NETWORK ANALYSIS OF PYROLYSIS MASS-SPECTRA

FREEMAN, R., GOODACRE, R., SISSON, P. R., MAGEE, J. G., WARD, A. C., & LIGHTFOOT, N. F. (1994). RAPID IDENTIFICATION OF SPECIES WITHIN THE MYCOBACTERIUM-TUBERCULOSIS COMPLEX BY ARTIFICIAL NEURAL-NETWORK ANALYSIS OF PYROLYSIS MASS-SPECTRA. JOURNAL OF MEDICAL MICROBIOLOGY, 40(3), 170-173. doi:10.1099/00222615-40-3-170

DOI
10.1099/00222615-40-3-170
Journal article

ON THE ANALYSIS OF PYROLYSIS MASS-SPECTRA USING ARTIFICIAL NEURAL NETWORKS - INDIVIDUAL INPUT SCALING LEADS TO RAPID LEARNING

NEAL, M. J., GOODACRE, R., & KELL, D. B. (1994). ON THE ANALYSIS OF PYROLYSIS MASS-SPECTRA USING ARTIFICIAL NEURAL NETWORKS - INDIVIDUAL INPUT SCALING LEADS TO RAPID LEARNING. In WORLD CONGRESS ON NEURAL NETWORKS-SAN DIEGO - 1994 INTERNATIONAL NEURAL NETWORK SOCIETY ANNUAL MEETING, VOL 1 (pp. A318-A323). Retrieved from https://www.webofscience.com/

Conference Paper

RAPID IDENTIFICATION USING PYROLYSIS MASS-SPECTROMETRY AND ARTIFICIAL NEURAL NETWORKS OF PROPIONIBACTERIUM-ACNES ISOLATED FROM DOGS

GOODACRE, R., NEAL, M. J., KELL, D. B., GREENHAM, L. W., NOBLE, W. C., & HARVEY, R. G. (1994). RAPID IDENTIFICATION USING PYROLYSIS MASS-SPECTROMETRY AND ARTIFICIAL NEURAL NETWORKS OF PROPIONIBACTERIUM-ACNES ISOLATED FROM DOGS. JOURNAL OF APPLIED BACTERIOLOGY, 76(2), 124-134. doi:10.1111/j.1365-2672.1994.tb01607.x

DOI
10.1111/j.1365-2672.1994.tb01607.x
Journal article

THE DOGS THAT DID NOT BARK

KELL, D. B., GOODACRE, R., & NEAL, M. J. (1994). THE DOGS THAT DID NOT BARK. TRENDS IN BIOTECHNOLOGY, 12(11), 434-435. doi:10.1016/0167-7799(94)90016-7

DOI
10.1016/0167-7799(94)90016-7
Journal article

1993

RAPID AND QUANTITATIVE-ANALYSIS OF BIOPROCESSES USING PYROLYSIS MASS-SPECTROMETRY AND NEURAL NETWORKS - APPLICATION TO INDOLE PRODUCTION

GOODACRE, R., & KELL, D. B. (1993). RAPID AND QUANTITATIVE-ANALYSIS OF BIOPROCESSES USING PYROLYSIS MASS-SPECTROMETRY AND NEURAL NETWORKS - APPLICATION TO INDOLE PRODUCTION. In ANALYTICA CHIMICA ACTA Vol. 279 (pp. 17-26). doi:10.1016/0003-2670(93)85062-O

DOI
10.1016/0003-2670(93)85062-O
Conference Paper

QUANTITATIVE-ANALYSIS OF THE PYROLYSIS MASS-SPECTRA OF COMPLEX-MIXTURES USING ARTIFICIAL NEURAL NETWORKS - APPLICATION TO AMINO-ACIDS IN GLYCOGEN

GOODACRE, R., EDMONDS, A. N., & KELL, D. B. (1993). QUANTITATIVE-ANALYSIS OF THE PYROLYSIS MASS-SPECTRA OF COMPLEX-MIXTURES USING ARTIFICIAL NEURAL NETWORKS - APPLICATION TO AMINO-ACIDS IN GLYCOGEN. JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS, 26(2), 93-114. doi:10.1016/0165-2370(93)85020-Y

DOI
10.1016/0165-2370(93)85020-Y
Journal article

RAPID ASSESSMENT OF THE ADULTERATION OF VIRGIN OLIVE OILS BY OTHER SEED OILS USING PYROLYSIS MASS-SPECTROMETRY AND ARTIFICIAL NEURAL NETWORKS

GOODACRE, R., KELL, D. B., & BIANCHI, G. (1993). RAPID ASSESSMENT OF THE ADULTERATION OF VIRGIN OLIVE OILS BY OTHER SEED OILS USING PYROLYSIS MASS-SPECTROMETRY AND ARTIFICIAL NEURAL NETWORKS. JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE, 63(3), 297-307. doi:10.1002/jsfa.2740630306

DOI
10.1002/jsfa.2740630306
Journal article

WHEN GOING BACKWARDS MEANS PROGRESS - ON THE SOLUTION OF BIOCHEMICAL INVERSE PROBLEMS USING ARTIFICIAL NEURAL NETWORKS

KELL, D. B., DAVEY, C. L., GOODACRE, R., & SAURO, H. M. (1993). WHEN GOING BACKWARDS MEANS PROGRESS - ON THE SOLUTION OF BIOCHEMICAL INVERSE PROBLEMS USING ARTIFICIAL NEURAL NETWORKS. In MODERN TRENDS IN BIOTHERMOKINETICS (pp. 109-114). Retrieved from https://www.webofscience.com/

Conference Paper

1992

NEURAL NETWORKS AND OLIVE OIL

GOODACRE, R., KELL, D. B., & BIANCHI, G. (1992). NEURAL NETWORKS AND OLIVE OIL. NATURE, 359(6396), 594. doi:10.1038/359594a0

DOI
10.1038/359594a0
Journal article

1991

CHARACTERIZATION OF EXOPOLYMERS OF AQUATIC BACTERIA BY PYROLYSIS-MASS SPECTROMETRY

FORD, T., SACCO, E., BLACK, J., KELLEY, T., GOODACRE, R., BERKELEY, R. C. W., & MITCHELL, R. (1991). CHARACTERIZATION OF EXOPOLYMERS OF AQUATIC BACTERIA BY PYROLYSIS-MASS SPECTROMETRY. APPLIED AND ENVIRONMENTAL MICROBIOLOGY, 57(6), 1595-1601. doi:10.1128/AEM.57.6.1595-1601.1991

DOI
10.1128/AEM.57.6.1595-1601.1991
Journal article

THE USE OF PYROLYSIS MASS-SPECTROMETRY IN THE CHARACTERIZATION OF RHIZOBIUM-MELILOTI

GOODACRE, R., HARTMANN, A., BERINGER, J. E., & BERKELEY, R. C. W. (1991). THE USE OF PYROLYSIS MASS-SPECTROMETRY IN THE CHARACTERIZATION OF RHIZOBIUM-MELILOTI. LETTERS IN APPLIED MICROBIOLOGY, 13(3), 157-160. doi:10.1111/j.1472-765X.1991.tb00596.x

DOI
10.1111/j.1472-765X.1991.tb00596.x
Journal article

THE USE OF PYROLYSIS MASS-SPECTROMETRY TO DETECT THE FIMBRIAL ADHESIVE ANTIGEN F41 FROM ESCHERICHIA-COLI HB101 (PSLM204)

GOODACRE, R., BERKELEY, R. C. W., & BERINGER, J. E. (1991). THE USE OF PYROLYSIS MASS-SPECTROMETRY TO DETECT THE FIMBRIAL ADHESIVE ANTIGEN F41 FROM ESCHERICHIA-COLI HB101 (PSLM204). JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS, 22(1-2), 19-28. doi:10.1016/0165-2370(91)85002-O

DOI
10.1016/0165-2370(91)85002-O
Journal article

1990

DETECTION OF SMALL GENOTYPIC CHANGES IN ESCHERICHIA-COLI BY PYROLYSIS MASS-SPECTROMETRY

GOODACRE, R., & BERKELEY, R. C. W. (1990). DETECTION OF SMALL GENOTYPIC CHANGES IN ESCHERICHIA-COLI BY PYROLYSIS MASS-SPECTROMETRY. FEMS MICROBIOLOGY LETTERS, 71(1-2), 133-137. Retrieved from https://www.webofscience.com/

Journal article

Detection of small genotypic changes in Escherichia coli by pyrolysis mass spectrometry.

Goodacre, R., & Berkeley, R. C. (1990). Detection of small genotypic changes in Escherichia coli by pyrolysis mass spectrometry.. FEMS microbiology letters, 59(1-2), 133-137. doi:10.1016/0378-1097(90)90045-r

DOI
10.1016/0378-1097(90)90045-r
Journal article