Prof Royston Goodacre

(Former)

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Publications

  1. 2019
  2. Accepted/In press

    CIRCADIAN RHYTHM OF EXHALED BIOMARKERS IN HEALTH AND ASTHMA

    Wilkinson, M., Maidstone, R., Loudon, A., Blaikley, J., White, I., Singh, D., Ray, D., Goodacre, R., Fowler, S. & Durrington, H., 5 Jun 2019, (Accepted/In press) In : The European respiratory journal.

    Research output: Contribution to journalArticle

  3. Published

    Rapid through-container detection of fake spirits and methanol quantification with handheld Raman spectroscopy

    Ellis, D. I., Muhamadali, H., Xu, Y., Eccles, R., Goodall, I. & Goodacre, R., 7 Jan 2019, In : Analyst. 144, 1, p. 324-330

    Research output: Contribution to journalArticle

  4. Published

    Biochemical signatures of acclimation by Chlamydomonas reinhardtii to different ionic stresses

    Charles, E. D., Muhamadali, H., Goodacre, R. & Pittman, J., Jan 2019, In : Algal Research. 37, p. 83-91 8 p.

    Research output: Contribution to journalArticle

  5. Published

    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. P., Brinkman, P., Slingers, G., Koppen, G., Maas, A., Roelofs, J. J. T. H., Schnabel, R., Bergmans, D. C., Raes, M., Goodacre, R., Fowler, S. J., Schultz, M. J., Bos, L. D. & BreathDx Consortium, 2019, In : American journal of physiology. Lung cellular and molecular physiology.

    Research output: Contribution to journalArticle

  6. Published

    Polymer Pen Lithography-Fabricated DNA Arrays for Highly Sensitive and Selective Detection of Unamplified Ganoderma Boninense DNA

    Rani, E., Mohshim, S., Ahmad, M., Goodacre, R., Alang Ahmad, S. & Wong, L., 2019, In : Polymers. 11, 3, p. 561

    Research output: Contribution to journalArticle

  7. Published

    Rapid quantification of the adulteration of fresh coconut water by dilution and sugars using Raman spectroscopy and chemometrics

    Richardson, P. I. C., Muhamadali, H., Ellis, D. I. & Goodacre, R., 2019, In : Food Chemistry.

    Research output: Contribution to journalArticle

  8. 2018
  9. Published

    Methodological considerations for large-scale breath analysis studies: lessons from the U-BIOPRED severe asthma project

    the U-BIOPRED study group, 30 Oct 2018, In : Journal of Breath Research. 13, 1

    Research output: Contribution to journalArticle

  10. Published

    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., Oct 2018, In : Metabolomics. 14, 10

    Research output: Contribution to journalArticle

  11. Published

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

    Lawal, O., Knobel, H., Weda, H., Bos, L. D., Nijsen, T. M. E., Goodacre, R. & Fowler, S. J., 7 Jul 2018, In : The Analyst. 143, 13, p. 3148-3155 8 p.

    Research output: Contribution to journalArticle

  12. Published

    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., Anderson, L. & Lloyd, J., 26 Jun 2018, In : mBio. 9, 3

    Research output: Contribution to journalArticle

  13. Published

    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., Lewis, M. R. & Dunn, W., Jun 2018, In : Metabolomics. 14, 72

    Research output: Contribution to journalArticle

  14. Published

    Recent developments in quantitative SERS moving towards absolute quantification

    Goodacre, R., Graham, D. & Faulds, K., May 2018, In : Trends in Analytical Chemistry. 102, p. 359-368 10 p.

    Research output: Contribution to journalArticle

  15. Published

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

    Lawal, O., Knobel, H., Weda, H., Nijsen, T. M. E., Goodacre, R., Fowler, S. J., Ahmed, W. M., Artigas, A., Bannard-Smith, J., Bos, L. D. J., Camprubi, M., Coelho, L., Dark, P., Davie, A., Diaz, E., Goma, G., Felton, T., Leopold, J. H., van Oort, P. M. P., Povoa, P. & 13 othersPortsmouth, C., Rattray, N. J. W., Rijnders, G., Schultz, M. J., Steenwelle, R., Sterk, P. J., Valles, J., Verhoeckx, F., Vink, A., White, I. R., Winters, T., Zakharkina, T. & the BreathDx consortium, May 2018, In : Metabolomics. 14, 5, 66.

    Research output: Contribution to journalArticle

  16. Published

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

    Lawal, O., Muhamadali, H., Ahmed, W., White, I. R., Nijsen, T. M. E., Goodacre, R. & Fowler, S. J., 3 Jan 2018, In : Journal of Breath Research. 12, 2

    Research output: Contribution to journalArticle

  17. Published

    An automated Design-Build-Test-Learn pipeline for enhanced microbial production of fine chemicals

    Carbonell, P., Jervis, A., Robinson, C., Yan, C., Dunstan, M., Swainston, N., Vinaixa, M., Hollywood, K., Currin, A., Rattray, N., Taylor, S., Spiess, R., Sung, R., Williams, A. R., Fellows, D., Stanford, N., Mulherin, P., Le Feuvre, R., Barran, P., Goodacre, R. & 9 othersTurner, N., Goble, C., Guoqiang Chen, G., Kell, D., Micklefield, J., Breitling, R., Takano, E., Faulon, J-L. & Scrutton, N., 2018, In : Communications Biology. 1, 66.

    Research output: Contribution to journalArticle

  18. Published

    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., Kazarian, S., Martin, F. L., Moger, J., Stone, N. & Sulé-Suso, J., 2018, In : Analyst. 8

    Research output: Contribution to journalArticle

  19. Published

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

    Ahmed, W. M., Geranios, P., White, I. R., Bromley, M., Lawal, O., Nijsen, T., Goodacre, R., Read, N. & Fowler, S. J., 2018, In : The Analyst.

    Research output: Contribution to journalArticle

  20. Published

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

    Eendebak, R. J. A. H., Ahern, T., Swiecicka, A., Pye, S. R., O'Neill, T., Bartfai, G., Forti, G., Giwercman, A., Han, T. S., Slowikowska-Hilczer, J., Lean, M., Maggi, M., Punab, M., Pendleton, N., Keevil, B., Vanderschueren, D., Rutter, M., Tampubolon, G., Goodacre, R., Huhtaniemi, I. T. & 2 othersWu, F. C. W. & EMAS Group, 2018, In : Clinical Endocrinology. 88, 3, p. 479-490

    Research output: Contribution to journalArticle

  21. Published

    Improved Descriptors for the QSAR Modeling of Peptides and Proteins

    Barley, M., Turner, N. & Goodacre, R., 2018, In : Journal of Chemical Information and Modeling.

    Research output: Contribution to journalArticle

  22. Published

    pH Plays a Role in the Mode of Action of Trimethoprim on Escherichia coli

    Alrabiah, H., Allwood, J. W., Correa, E., Xu, Y. & Goodacre, R., 2018, In : P L o S One.

    Research output: Contribution to journalArticle

  23. Published

    Surface-Enhanced Raman Scattering (SERS) in Microbiology: Illumination and Enhancement of the Microbial World

    Chisanga, M., Muhamadali, H., Ellis, D. I. & Goodacre, R., 2018, In : Applied Spectroscopy.

    Research output: Contribution to journalArticle

  24. Published

    Translation stress positively regulates MscL-dependent excretion of cytoplasmic proteins

    Morra, R., Del Carratore, F., Muhamadali, H., Horga, L., Halliwell, S., Goodacre, R., Breitling, R. & Dixon, N., 2018, In : mBio. 9, 1, e02118-17.

    Research output: Contribution to journalArticle

  25. 2017
  26. Published

    SERS Detection of Multiple Anti-microbial Resistant Pathogens using Nanosensors

    Kearns, H., Goodacre, R., Jamieson, L., Graham, D. & Faulds, K., 5 Dec 2017, In : Analytical Chemistry.

    Research output: Contribution to journalArticle

  27. Published

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

    Fisk, H., Xu, Y., Westley, C., Turner, N., Micklefield, J. & Goodacre, R., 21 Nov 2017, In : Analytical Chemistry. 89, 22, p. 12527-12532 5 p.

    Research output: Contribution to journalArticle

  28. Published

    Exhaled Volatile Organic Compounds of Infection: A Systematic Review

    Ahmed, W. M., Lawal, O., Nijsen, T. M., Goodacre, R. & Fowler, S. J., 13 Oct 2017, In : ACS Infectious Diseases. 3, 10, p. 695-710 16 p.

    Research output: Contribution to journalArticle

  29. Published

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

    Subaihi, A., Trivedi, D., Hollywood, K., Bluett, J., Xu, Y., Muhamad Ali, H., Ellis, D. & Goodacre, R., 20 Jun 2017, In : Analytical Chemistry. 89, 12, p. 6702-6709 8 p.

    Research output: Contribution to journalArticle

  30. Published

    Real-time monitoring of enzyme-catalysed reactions using deep UV resonance Raman spectroscopy

    Westley, C., Fisk, H., Xu, Y., Hollywood, K., Carnell, A. J., Micklefield, J., Turner, N. & Goodacre, R., 23 May 2017, In : Chemistry: A European Journal. 23, 29, p. 6983-6987 5 p.

    Research output: Contribution to journalArticle

  31. Published
  32. Published

    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., Keevil, B. G., Tampubolon, G., Goodacre, R., Wu, F. C. W. & Rutter, M. K., May 2017, In : Clinical Endocrinology. 86, 5, p. 660-668

    Research output: Contribution to journalArticle

  33. Published

    Quantitative detection of codeine in human plasma using surface enhance Raman scattering via adaptation of the isotopic labelling principle

    Subaihi, A., Muhamad Ali, H., Mutter, S., Blanch, E., Ellis, D. & Goodacre, R., 7 Apr 2017, In : Analyst. 7, p. 1099-1105 7 p.

    Research output: Contribution to journalArticle

  34. Published

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

    Ashton, L., Brewster, V. L., Correa, E. & Goodacre, R., 7 Mar 2017, In : Analyst. 142, 5, p. 808-814 7 p.

    Research output: Contribution to journalArticle

  35. Published

    Absolute quantification of uric acid in human urine using surface enhanced Raman scattering with the standard addition method

    Westley, C., Xu, Y., Thilaganathan, B., Carnell, A. J., Turner, N. & Goodacre, R., 21 Feb 2017, In : Analytical Chemistry. 89, 4, p. 2472–2477 6 p.

    Research output: Contribution to journalArticle

  36. Published

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

    Weber, R. J. M., Lawson, T., Salek, R. M., Ebbels, T., Robert, G., Goodacre, R., Griffin, J. L., Haug, K., Koulman, A., Moreno, P., Ralser, M., Steinbeck, C., Dunn, W. B. & Viant, M. R., Feb 2017, In : Metabolomics. 13, 12

    Research output: Contribution to journalArticle

  37. Published
  38. Published

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

    Mullan, L., Mularczyk, E., Kung, L., Forouhan, M., Wragg, J., Goodacre, R., Bateman, J. F., Swanton, E., Briggs, M. & Boot-Handford, R., 2017, In : The Journal of clinical investigation. 127, 2

    Research output: Contribution to journalArticle

  39. Published

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

    Trivedi, D., Hollywood, K. & Goodacre, R., 2017, In : New Horizons in Translational Medicine. 3, 6

    Research output: Contribution to journalArticle

  40. Published
  41. Published

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

    Denbigh, J., Perez-Guaita, D., Vernooij, R., Tobin, M. J., Bambery, K. R., Xu, Y., Southam, A. D., Khanim, F. L., Drayson, M. T., Lockyer, N., Goodacre, R. & Wood, B. R., 2017, In : Scientific Reports. 7

    Research output: Contribution to journalArticle

  42. Published

    Quantitative detection of isotopically enriched E. coli cells by SERS

    Chisanga, M., Muhamad Ali, H., Kimber, R. & Goodacre, R., 2017, In : Faraday Discussions.

    Research output: Contribution to journalArticle

  43. Published

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

    Barley, M., Turner, N. & Goodacre, R., 2017, In : ChemBioChem: a European journal of chemical biology .

    Research output: Contribution to journalArticle

  44. Published

    Systems Biology Guided by XCMS Online Metabolomics

    Huan, T., Forsberg, E. M., Rinehart, D., Johnson, C. H., Ivanisevic, J., Benton, H. P., Fang, M., Aisporna, A., Hilmers, B., Poole, F. L., Thorgersen, M. P., Adams, M. W. W., Krantz, G., Fields, M. W., Robbins, P., Niedernhofer, L. J., Ideker, T., Majumder, E. L., Wall, J. D., Rattray, N. & 3 othersGoodacre, R., Lairson, L. & Siuzdak, G., 2017, In : Nature Methods. 14, p. 461-462 2 p.

    Research output: Contribution to journalArticle

  45. Published

    Through-container, extremely low concentration detection of multiple chemical markers of counterfeit alcohol using a handheld SORS device

    Ellis, D., R, E., Xu, Y., J, G., Muhamadali, H., P, M., Goodall, I. & Goodacre, R., 2017, In : Scientific Reports. 7, 12082.

    Research output: Contribution to journalArticle

  46. Published

    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. & Goodacre, R., 2017, In : Analytical Methods.

    Research output: Contribution to journalArticle

  47. Published

    Two Glycerol-3-Phosphate Dehydrogenases from Chlamydomonas have Distinct Roles in Lipid Metabolism

    Driver, T., Trivedi, D., Mcintosh, O., Dean, A. P., Goodacre, R. & Pittman, J., 2017, In : Plant Physiology.

    Research output: Contribution to journalArticle

  48. 2016
  49. Published

    Achieving optimal SERS through enhanced experimental design

    Turner, N., Fisk, H., Westley, C. & Goodacre, R., 16 Dec 2016, In : Journal of Raman Spectroscopy. 47, 1, p. 59-66

    Research output: Contribution to journalArticle

  50. Published

    Chicken, beams, and Campylobacter: rapid differentiation of foodborne bacteria via vibrational spectroscopy and MALDI-mass spectrometry. 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., Linton, D. & Goodacre, R., 14 Dec 2016, In : The Analyst. 141, 1, p. 111-122 12 p.

    Research output: Contribution to journalArticle

  51. Published

    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., Pye, S., Ahern, T., O'Neill, T. W., Bartfai, G., Casanueva, F., Maggi, M., Forti, G., Alston, R., Giwercman, A., Han, T. S., Kula, K., Lean, M. E. J., Punab, M., Pendleton, N., Keevil, B., Vanderschueren, D., Rutter, M., Tampubolon, G. & 2 othersGoodacre, R. & Wu, F., 1 Dec 2016, In : European Journal of Endocrinology. 175, p. 583-593

    Research output: Contribution to journalArticle

  52. Published

    Rapid, accurate, and quantitative detection of propranolol in multiple human biofluids via surface-enhanced Raman scattering

    Subaihi, A., Almanqur, L., Muhamad Ali, H., Almasoud, N., Ellis, D., Trivedi, D., Hollywood, K., Xu, Y. & Goodacre, R., 15 Nov 2016, In : Analytical Chemistry. 88, 22, p. 10884-10892 9 p.

    Research output: Contribution to journalArticle

  53. Published

    Classification of Bacillus and Brevibacillus species using rapid analysis of lipids by mass spectrometry

    AlMasoud, N., Xu, Y., Trivedi, D., Salivo, S., Abban, T., Rattray, N., Szula, E., Alrabiah, H., Sayqal, A. & Goodacre, R., Nov 2016, In : Analytical and bioanalytical chemistry. 408, 27

    Research output: Contribution to journalArticle

  54. Published

    A flavour of omics approaches for the detection of food fraud

    Ellis, D., Muhamad Ali, H., Allen, D., Elliott, C. T. & Goodacre, R., Aug 2016, In : Current Opinion in Food Science. 10, p. 7-15 9 p.

    Research output: Contribution to journalArticle

  55. Published

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

    Ellis, D., Ellis, J., Muhamad Ali, H., Xu, Y., Horn, A. & Goodacre, R., 28 Jul 2016, In : Analytical Methods. 8, 28, p. 5581-5586

    Research output: Contribution to journalArticle

  56. Published

    FUM2, a cytosolic fumarase, is essential for acclimation to low temperature in arabidopsis thaliana

    Dyson, B. C., Miller, M. A. E., Feil, R., Rattray, N., Bowsher, C. G., Goodacre, R., Lunn, J. E. & Johnson, G. N., 20 Jul 2016, In : Plant Physiology. 172, 1, p. 118-127 10 p.

    Research output: Contribution to journalArticle

  57. Published

    Metabolomics analysis reveals the participation of efflux pumps and ornithine in the response of pseudomonas putida DOT-T1E cells to challenge with propranolol

    Sayqal, A., Xu, Y., Trivedi, D. K., Almasoud, N., Ellis, D. I., Rattray, N. & Goodacre, R., 22 Jun 2016, In : PLoS ONE. 11, 6, e0156509.

    Research output: Contribution to journalArticle

  58. Published

    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., Robinson, C. J., Swainston, N., Vinaixa, M., Williams, A., Yan, C., Barran, P., Breitling, R., Chen, G. G-Q., Faulon, J-L., Goble, C., Goodacre, R., Kell, D. B., Feuvre, R. L., Micklefield, J. & 4 othersScrutton, N. S., Shapira, P., Takano, E. & Turner, N. J., 15 Jun 2016, In : Biochemical Society Transactions. 44, 3, p. 675-7

    Research output: Contribution to journalArticle

  59. Published

    Single cell analysis/data handling: General discussion

    Baker, M., Goodacre, R., Sammon, C., Marques, M. P., Gardner, P., Tipping, W., Sulé-Suso, J., Wood, B. R., Byrne, H. J., Hermes, M., Matousek, P., Campbell, C. J., El-Mashtoly, S., Frost, J., Phillips, C., Diem, M., Kohler, A., Lau, K., Kazarian, S., Petrich, W. & 15 othersLloyd, G., Delfino, I., Cinque, G., Isabelle, M., Stone, N., Kendall, C., Jamieson, L., Perez-Guaita, D., Clark, L., Gerwert, K., Notingher, I., Quaroni, L. G., Bhargava, R., Meade, A. & Lyng, F., 10 Jun 2016, In : Faraday Discussions. 187, p. 299-327 29 p.

    Research output: Contribution to journalArticle

  60. Published

    Spectral Pathology: General discussion

    Sammon, C., Schultz, Z. D., Kazarian, S., Barr, H., Goodacre, R., Graham, D., Baker, M., Gardner, P., Wood, B. R., Campbell, C. J., Dluhy, R., El-Mashtoly, S., Phillips, C., Frost, J., Diem, M., Kohler, A., Haris, P. I., Apolonskiy, A., Amrania, H., Lasch, P. & 10 othersZhang, Z., Petrich, W., Sockalingum, G. D., Stone, N., Gerwert, K., Notingher, I., Bhargava, R., Kröger-Lui, N., Isabelle, M. & Pilling, M., 1 Jun 2016, In : Faraday Discussions. 187, p. 155-186 32 p.

    Research output: Contribution to journalArticle

  61. Published

    Fractional Factorial Design of MALDI-TOF-MS sample preparations for the optimized detection of phospholipids and acylglycerols

    Almasoud, N., Correa, E., Trivedi, D. & Goodacre, R., 26 May 2016, In : Analytical Chemistry. 88, 12, p. 6301–6308 8 p.

    Research output: Contribution to journalArticle

  62. Published

    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., 17 May 2016, In : Respiratory research. 17, 1, p. 56 56.

    Research output: Contribution to journalArticle

  63. Published

    Biochemical analyses of sorghum varieties reveal differential responses to drought

    Ogbaga, C., Stepien, P., Dyson, B., Rattray, N., Ellis, D., Goodacre, R. & Johnson, G., 6 May 2016, In : PLoS ONE. 11, 5, e015442.

    Research output: Contribution to journalArticle

  64. Published

    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., Chassy, A. W., Fiehn, O., Xu, Y. & Goodacre, R., 1 May 2016, In : Metabolomics. 12, 5, 14 p., 82.

    Research output: Contribution to journalArticle

  65. Published

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

    Westley, C., Xu, Y., Carnell, A. J., Turner, N. & Goodacre, R., 30 Apr 2016, In : Analytical Chemistry. 88, 11, p. 5898-5903 6 p.

    Research output: Contribution to journalArticle

  66. Published

    Detecting food authenticity and integrity

    Ellis, D. I. & Goodacre, R., 28 Apr 2016, In : Analytical Methods. 8, 16, p. 3281-3283 3 p.

    Research output: Contribution to journalArticle

  67. Published

    Metabolomics reveals the physiological response of Pseudomonas putida KT2440 (UWC1) after pharmaceutical exposure

    Currie, F., Broadhurst, D., Dunn, W. B., Sellick, C. & Goodacre, R., 1 Apr 2016, In : Molecular BioSystems. 12, 4, p. 1367-1377 11 p.

    Research output: Contribution to journalArticle

  68. Published

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

    Goodacre, R., 1 Mar 2016, In : Metabolomics. 12, 3, p. 1-2 2 p., 54.

    Research output: Contribution to journalEditorial

  69. Published

    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., Ellis, D. I. & Goodacre, R., 16 Feb 2016, In : The Analyst. 141, 7, p. 2155-2164 11 p.

    Research output: Contribution to journalArticle

  70. Published

    Continued growth, continual progress, and continuous publications

    Goodacre, R., 1 Feb 2016, In : Metabolomics. 12, 2, p. 1-2 2 p., 17.

    Research output: Contribution to journalArticle

  71. Published

    Metabolomic analysis of riboswitch containing E. coli recombinant expression system

    Muhamadali, H., Xu, Y., Morra, R., Trivedi, D. K., Rattray, N. J. W., Dixon, N. & Goodacre, R., Feb 2016, In : Molecular BioSystems. 12, 2, p. 350-361 12 p.

    Research output: Contribution to journalArticle

  72. Published

    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., Ebbels, T., Goodacre, R., Hastings, J., Haug, K., Koulman, A., Nikolski, M., Oresic, M., Sansone, S. A., Schober, D., Smith, J., Steinbeck, C., Viant, M. R. & Neumann, S., 1 Jan 2016, In : Metabolomics. 12, 1, p. 1-13 13 p., 14.

    Research output: Contribution to journalArticle

  73. Published

    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., Goodacre, R. & Pittman, J. K., Jan 2016, In : Metabolomics. 12, p. 9

    Research output: Contribution to journalArticle

  74. Published

    Biofluids and other techniques: General discussion

    Goodacre, R., Baker, M. J., Graham, D., Schultz, Z. D., Diem, M., Marques, M. P., Cinque, G., Vernooij, R., Sulé-Suso, J., Byrne, H. J., Faulds, K., Hermes, M., Fleming, H., Bonifacio, A., Dluhy, R., Gardner, P., El-Mashtoly, S., Wood, B., Gough, K., Fornasaro, S. & 15 othersKazarian, S., Jamieson, L., Petrich, W., Sockalingum, G. D., Stone, N., Kendall, C., Sinjab, F., Haris, P., Subaihi, A., Remiszewski, S., Hellwig, P., Sergo, V., Gerwert, K., Phillips, C. & Campbell, C. J., 2016, In : Faraday Discussions. 187, p. 575-601 27 p.

    Research output: Contribution to journalArticle

  75. Published

    Clinical Spectroscopy: General discussion

    Goodacre, R., Sergo, V., Barr, H., Sammon, C., Schultz, Z. D., Baker, M. J., Graham, D., Marques, M. P., Sulé-Suso, J., Livermore, J., Faulds, K., Sinjab, F., Matousek, P., Campbell, C. J., Dluhy, R., Gardner, P., Phillips, C., Diem, M., Wood, B., Apolonskiy, A. & 21 othersKazarian, S., Fullwood, L., Gough, K., Petrich, W., Lloyd, G., Ibrahim, O., Cinque, G., Sockalingum, G. D., Stone, N., Kendall, C., McAughtrie, S., Perez-Guaita, D., Clark, L., Gerwert, K., Bonifacio, A., Notingher, I., Lasch, P., Bhargava, R., Lepert, G., Mader, K. & Paterson, C., 2016, In : Faraday Discussions. 187, p. 429-460 32 p.

    Research output: Contribution to journalArticle

  76. Published

    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, In : Analytical Chemistry. 88, 4, p. 2105–2112

    Research output: Contribution to journalArticle

  77. Published

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

    Harvie, M., Sims, A., Pegington, M., Spence, K., Mitchell, A., Vaughan, A. A., Allwood, W., Xu, Y., Rattray, N., Goodacre, R., Evans, G., Mitchell, E., McMullen, D., Clarke, R. & Howell, A., 2016, In : Breast Cancer Research. 18, 1, 57.

    Research output: Contribution to journalArticle

  78. Published

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

    Sayqal, A., Xu, Y., Trivedi, D., Almasoud, N., Ellis, D., Muhamadali, H., Rattray, N., Webb, C. & Goodacre, R., 2016, In : Metabolomics. 12, 112, 14 p., 14.

    Research output: Contribution to journalArticle

  79. Published
  80. Published
  81. Published

    Rapid discrimination of Enterococcus faecium strains using phenotypic analytical techniques

    AlMasoud, N., Xu, Y., Ellis, D., Rooney, P., Turton, J. & Goodacre, R., 2016, In : Analytical Methods. 8, 42, p. 7603-7613 11 p.

    Research output: Contribution to journalArticle

  82. Published

    Rapid, accurate, and comparative differentiation of clinically and industrially relevant microorganisms: Via multiple vibrational spectroscopic fingerprinting

    Muhamadali, H., Subaihi, A., Mohammadtaheri, M., Xu, Y., Ellis, D. I., Ramanathan, R., Bansal, V. & Goodacre, R., 2016, In : Analyst. 141, 17, p. 5127-5136 10 p.

    Research output: Contribution to journalArticle

  83. Published

    Reverse and multiple stable isotope probing to study bacterial metabolism and interactions at the single cell level

    Wang, Y., Song, Y., Tao, Y., Muhamad Ali, H., Goodacre, R., Zhou, N-Y., Preston, G. M., Xu, J. & Huang, W. E., 2016, In : Analytical Chemistry. 88, 19, p. 9443-9450 8 p.

    Research output: Contribution to journalArticle

  84. Published

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

    Cheung, M., Lee, W. W. Y., Cowcher, D., Goodacre, R. & Bell, S. E. J., 2016, In : Chemical Communications. 52, p. 9925-9928 4 p.

    Research output: Contribution to journalArticle

  85. Published

    SYNBIOCHEM Synthetic Biology Research Centre, Manchester - A UK foundry for fine and speciality chemicals production

    Feuvre, R. L., Carbonell, P., Currin, A., Dunstan, M., Fellows, D., Jervis, A., Rattray, N. J. W., Robinson, C. J., Swainston, N., Vinaixa, M., Williams, A., Yan, C., Barran, P., Breitling, R., Chen, G. G-Q., Faulon, J-L., Goble, C., Goodacre, R., Kell, D. B., Micklefield, J. & 4 othersScrutton, N. S., Shapira, P., Takano, E. & Turner, N. J., 2016, In : Synthetic and Systems Biotechnology.

    Research output: Contribution to journalArticle

  86. Published

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

    Decuypere, S., Maltha, J., Deborggraeve, S., Rattray, N., Issa, G., Bérenger, K., Lompo, P., Tahita, M. C., Ruspasinghe, T., McConville, M., Goodacre, R., Tinto, H., Jacobs, J. & Carapetis, J. R., 2016, In : PL o S Neglected Tropical Diseases. 10, 3, e0004480.

    Research output: Contribution to journalArticle

  87. 2015
  88. Published

    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., 7 Nov 2015, In : Analyst. 140, 21, p. 7347-7354 8 p.

    Research output: Contribution to journalArticle

  89. Published

    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., 1 Nov 2015, In : Cytometry Part A. 87, 11, p. 1012-1019 8 p.

    Research output: Contribution to journalArticle

  90. Published

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

    Alharbi, O., Xu, Y. & Goodacre, R., Nov 2015, In : Analytical and bioanalytical chemistry. 407, 27, p. 8253-8261 8 p.

    Research output: Contribution to journalArticle

  91. Published

    Metabolomics investigation of recombinant mTNF production in Streptomyces lividans

    Muhamadali, H., Xu, Y., Ellis, D., Trivedi, D., Rattray, N., Bernaerts, K. & Goodacre, R., 9 Oct 2015, In : Microbial Cell Factories. 14, 157

    Research output: Contribution to journalArticle

  92. Published

    Metabolomics investigation of recombinant mTNFaα production in Streptomyces lividans

    Muhamadali, H., Xu, Y., Ellis, D. I., Trivedi, D. K., Rattray, N. J. W., Bernaerts, K. & Goodacre, R., 9 Oct 2015, In : Microbial Cell Factories. 14, 1

    Research output: Contribution to journalArticle

  93. Published

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

    Sørensen, K. M., Westley, C., Goodacre, R. & Engelsen, S. B., 1 Oct 2015, In : Analytical and bioanalytical chemistry. 407, 25, p. 7787-7795 9 p.

    Research output: Contribution to journalArticle

  94. Published

    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., Oct 2015, In : Scientific Reports. 5, p. 1-12 11 p., 15649 .

    Research output: Contribution to journalArticle

  95. Published

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

    Alharbi, O., Xu, Y. & Goodacre, R., 7 Sep 2015, In : Analyst. 140, 17, p. 5965-5970 6 p.

    Research output: Contribution to journalArticle

  96. Published

    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., 1 Sep 2015, In : Analytical Methods.

    Research output: Contribution to journalArticle

  97. Published

    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., Aug 2015, In : Molecular BioSystems. 11, 8

    Research output: Contribution to journalArticle

  98. Published

    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., 14 Jul 2015, In : Biotechnology Journal (Print). 10, 9, p. 1434-1445 11 p.

    Research output: Contribution to journalArticle

  99. Published

    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., 7 Jul 2015, In : Analyst. 140, 13, p. 4399-4406 8 p.

    Research output: Contribution to journalArticle

  100. Published

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

    Najdekr, L., Gardlo, A., Mádrová, L., Friedecký, D., Janečková, H., Correa, E. S., Goodacre, R. & Adam, T., 1 Jul 2015, In : Talanta. 139, p. 62-66 5 p.

    Research output: Contribution to journalArticle

  101. Published

    Metabolic responses of eukaryotic microalgae to environmental stress limits 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., 28 Jun 2015, In : Algal Research. 11, p. 148-155 7 p.

    Research output: Contribution to journalArticle

  102. Published

    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., 16 Jun 2015, In : Analytica Chimica Acta. 879, p. 10-23 14 p.

    Research output: Contribution to journalArticle

  103. Published

    The influence of scaling metabolomics data on model classification accuracy

    Gromski, P. S., Xu, Y., Hollywood, K. A., Turner, M. L. & Goodacre, R., 1 Jun 2015, In : Metabolomics. 11, 3, p. 684-695 12 p.

    Research output: Contribution to journalArticle

  104. Published

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

    Salek, R. M., Neumann, S., Schober, D., Hummel, J., Billiau, K., Kopka, J., Correa, E., Reijmers, T., Rosato, A., Tenori, L., Turano, P., Marin, S., Deborde, C., Jacob, D., Rolin, D., Dartigues, B., Conesa, P., Haug, K., Rocca-Serra, P., O’Hagan, S. & 19 othersHao, J., van Vliet, M., Sysi-Aho, M., Ludwig, C., Bouwman, J., Cascante, M., Ebbels, T., Griffin, J. L., Moing, A., Nikolski, M., Oresic, M., Sansone, S. A., Viant, M. R., Goodacre, R., Günther, U. L., Hankemeier, T., Luchinat, C., Walther, D. & Steinbeck, C., 26 May 2015, In : Metabolomics. 11, 6, p. 1587-1597 11 p.

    Research output: Contribution to journalArticle

  105. Published

    Metabolic profiling of Geobacter sulfurreducens during scale-up

    Muhamadali, H., Xu, Y., Ellis, D. I., Allwood, W., Rattray, N. J. W., Correa, E., Alrabiah, H., Lloyd, J. R. & Goodacre, R., May 2015, In : Applied and environmental microbiology. 81, 10, p. 3288-3298 11 p.

    Research output: Contribution to journalArticle

  106. Published
  107. Published

    Making colourful sense of Raman images of single cells

    Ashton, L., Hollywood, K. A. & Goodacre, R., 21 Mar 2015, In : Analyst. 140, 6, p. 1852-1858 7 p.

    Research output: Contribution to journalArticle

  108. Published

    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., Brown, M., Floegel, A., Dietrich, S., Rolandsson, O., Wedge, D. C., Goodacre, R., Forouhi, N. G., Sharp, S. J., Spranger, J., Wareham, N. J. & Boeing, H., 1 Mar 2015, In : Clinical Chemistry. 61, 3, p. 487-497 11 p.

    Research output: Contribution to journalArticle

  109. Published

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

    Dunn, W., Lin, W., Broadhurst, D., Begley, P., Brown, M., Zelena, E., Vaughan, A., Halsall, A., Harding, N., Knowles, J., Francis-McIntyre, S., Tseng, A., Ellis, D., O'Hagan, S., Aarons, G., Benjamin, B., Chew-Graham, S., Moseley, C., Potter, P., Winder, C. & 16 othersPotts, C., Thornton, P., McWhirter, C., Zubair, M., Pan, M., Burns, A., Cruickshank, K., Jayson, G., Purandare, N., Wu, FC., Finn, J., Haselden, JN., Nicholls, AW., Wilson, ID., Goodacre, R. & Kell, D., Feb 2015, In : Metabolomics. 11, 1, p. 9-26 18 p.

    Research output: Contribution to journalArticle

  110. Published

    Acclimation of metabolism to light in Arabidopsis thaliana: 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., Goodacre, R., Lunn, J. E., Johnson, G. N. & Yun, X., 2015, In : Plant Cell and Environment. 38, 7, p. 1404-1417 14 p.

    Research output: Contribution to journalArticle

  111. Published

    Combining Raman and FT-IR spectroscopy with quantitative isotopic labelling for differentiation of E. coli cells at community and single cell levels

    Muhamadali, H., Chisanga, M., Subaihi, A. & Goodacre, R., 2015, In : Analytical Chemistry.

    Research output: Contribution to journalArticle

  112. Published

    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., Podmore, H., Micklefield, J., Goodacre, R., Medema, MH., Müller, U., Bovenberg, R., Janssen, DB. & Takano, E., 2015, In : ACS Synthetic Biology. 4, p. 796-807 11 p.

    Research output: Contribution to journalArticle

  113. Published

    Phenotypic characterisation of Shewanella oneidensis MR-1 exposed to X-radiation

    Brown, A. R., Correa, E., Xu, Y., AlMasoud, N., Pimblott, S. M., Goodacre, R. & Lloyd, J. R., 2015, In : PLoS ONE. 10, 6

    Research output: Contribution to journalArticle

  114. 2014
  115. Published

    MUSCLE: Automated Multi-objective Evolutionary Optimisation of Targeted LC-MS/MS Analysis

    Bradbury, J., Genta-Jouve, G., Allwood, J. W., Dunn, W. B., Goodacre, R., Knowles, J. D., He, S. & Viant, M. R., 11 Nov 2014, In : Bioinformatics.

    Research output: Contribution to journalArticle

  116. Published

    Monitoring antibody aggregation in early drug development using raman spectroscopy and perturbation-correlation moving windows

    Cuesta, R. G. D. L., Goodacre, R. & Ashton, L., 20 Oct 2014, In : Analytical Chemistry.

    Research output: Contribution to journalArticle

  117. Published

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

    Hooks, M. A., Allwood, J. W., Harrison, J. K. D., Kopka, J., Erban, A., Goodacre, R. & Balk, J., 15 Oct 2014, In : Biochemical Journal. 463, 2, p. 309-317 9 p.

    Research output: Contribution to journalArticle

  118. Published

    Quantitative online liquid chromatography-surface-enhanced Raman scattering of purine bases

    Cowcher, D. P., Jarvis, R. & Goodacre, R., 7 Oct 2014, In : Analytical Chemistry. 86, 19, p. 9977-9984 8 p.

    Research output: Contribution to journalArticle

  119. Published

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

    Anderson, S. G., Dunn, W., Banerjee, M., Brown, M., Broadhurst, D. I., Goodacre, R., Cooper, G. J. S., Kell, D. B. & Cruickshank, J. K., 3 Sep 2014, In : PLoS ONE. 9, 9, e103217.

    Research output: Contribution to journalArticle

  120. Published

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

    Almasoud, N., Xu, Y., Nicolaou-Markide, N. & Goodacre, R., 20 Aug 2014, In : Analytica Chimica Acta. 840, p. 49-57 8 p.

    Research output: Contribution to journalArticle

  121. Published

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

    Alharbi, O., Xu, Y. & Goodacre, R., 24 Jul 2014, In : Analyst. 139, 19, p. 4820-4827 8 p.

    Research output: Contribution to journalArticle

  122. Published

    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., 4 Jun 2014, In : Analytica Chimica Acta. 829, p. 1-8 8 p.

    Research output: Contribution to journalArticle

  123. Published

    Electrochemical modulation of SERS at the liquid/liquid interface

    Booth, S. G., Cowcher, D. P., Goodacre, R. & Dryfe, R. A. W., 4 May 2014, In : Chemical Communications. 50, 34, p. 4482-4484 3 p.

    Research output: Contribution to journalArticle

  124. Published

    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., Hampson, L., Hampson, I. & Goodacre, R., 4 Mar 2014, In : Molecular BioSystems. 10, 3, p. 398-411 13 p.

    Research output: Contribution to journalArticle

  125. Published

    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., Biais, B., Maucourt, M., Berger, Y., Schaffer, A. A., Rolin, D., Moing, A., Hall, R. D. & Goodacre, R., Mar 2014, In : Phytochemistry. 99, p. 61-72 11 p.

    Research output: Contribution to journalArticle

  126. Published

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

    Kell, D. B. & Goodacre, R., Feb 2014, In : Drug discovery today. 19, 2, p. 171-182 12 p.

    Research output: Contribution to journalArticle

  127. Published

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

    Goodacre, R., Feb 2014, In : Metabolomics. 10, 1, p. 5-7 3 p.

    Research output: Contribution to journalArticle

  128. Published

    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, In : Analytical and bioanalytical chemistry. 406, 29, p. 7581-7590 10 p.

    Research output: Contribution to journalArticle

  129. Published
  130. Published

    I spy with my little eye something beginning with … ‘H’

    Goodacre, R., 2014, In : Metabolomics. 11, 1, p. 6-8 3 p.

    Research output: Contribution to journalArticle

  131. Published

    Implementation of Fourier transform infrared spectroscopy for the rapid typing of uropathogenic Escherichia coli

    Dawson, S. E., Gibreel, T., Nicolaou, N., AlRabiah, H., Xu, Y., Goodacre, R. & Upton, M., 2014, In : European Journal of Clinical Microbiology and Infectious Diseases. 33, 6, p. 983-988 6 p.

    Research output: Contribution to journalArticle

  132. Published

    Influence of Missing Values Substitutes on Multivariate Analysis of Metabolomics Data

    Gromski, P., Xu, Y., Kotze, H., Correa, E., Ellis, D., Armitage, E., Turner, M. & Goodacre, R., 2014, In : Metabolites. 4, 2, p. 433-452 20 p.

    Research output: Contribution to journalArticle

  133. Published

    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, In : Chemical Science. 5, 3, p. 1030-1040 11 p.

    Research output: Contribution to journalArticle

  134. Published

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

    Rattray, N., Hamrang, Z., Trivedi, D., Goodacre, R. & Fowler, S., 2014, In : Trends in Biotechnology. 32, 10, p. 538-548 11 p.

    Research output: Contribution to journalArticle

  135. 2013
  136. Published

    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., Stephens, G. M. & Goodacre, R., 21 Nov 2013, In : Analyst. 138, 22, p. 6977-6985 8 p.

    Research output: Contribution to journalArticle

  137. Published

    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., 23 Oct 2013, In : BMC Systems Biology. 7, 107.

    Research output: Contribution to journalArticle

  138. Published

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

    Xu, Y., Correa, E. & Goodacre, R., Jun 2013, In : Analytical and bioanalytical chemistry. 405, 15, p. 5063-5074 12 p.

    Research output: Contribution to journalArticle

  139. Published

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

    Wang, H., Correa, E., Dunn, W. B., Winder, C. L., Goodacre, R. & Lloyd, J. R., Jun 2013, In : Metabolomics. 9, 3, p. 642-656 14 p.

    Research output: Contribution to journalArticle

  140. Published

    Monitoring guanidinium-induced structural changes in ribonuclease proteins using Raman spectroscopy and 2D correlation analysis

    Brewster, V. L., Ashton, L. & Goodacre, R., 2 Apr 2013, In : Analytical Chemistry. 85, 7, p. 3570-3575 6 p.

    Research output: Contribution to journalArticle

  141. Published

    Portable, quantitative detection of bacillus bacterial spores using surface-enhanced raman scattering

    Cowcher, D. P., Xu, Y. & Goodacre, R., 19 Mar 2013, In : Analytical Chemistry. 85, 6, p. 3297-3302 5 p.

    Research output: Contribution to journalArticle

  142. Published

    High-throughput phenotyping of uropathogenic E. coli isolates with Fourier transform infrared spectroscopy

    Alrabiah, H., Correa, E., Upton, M. & Goodacre, R., 7 Mar 2013, In : Analyst. 138, 5, p. 1363-1369 6 p.

    Research output: Contribution to journalArticle

  143. Published

    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., 15 Jan 2013, In : Analytical Chemistry. 85, 2, p. 923-931 8 p.

    Research output: Contribution to journalArticle

  144. Published

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

    Mabbott, S., Eckmann, A., Casiraghi, C. & Goodacre, R., 7 Jan 2013, In : Analyst. 138, 1, p. 118-122 4 p.

    Research output: Contribution to journalArticle

  145. Published

    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, In : Analyst. 138, 14, p. 3871-3884

    Research output: Contribution to journalArticle

  146. Published

    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., Hankemeier, T., Goodacre, R., Neumann, S., Kopka, J. & Viant, M. R., 2013, In : Metabolomics. 9, 1, p. 44-66 22 p.

    Research output: Contribution to journalArticle

  147. Published

    The devil is in the detail

    Goodacre, R., 2013, In : Metabolomics. 9, 1, p. 1-2 2 p.

    Research output: Contribution to journalArticle

  148. 2012
  149. Published

    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., Dive, C. & Goodacre, R., 20 Nov 2012, In : Analytical Chemistry. 84, 22, p. 9848-9857 9 p.

    Research output: Contribution to journalArticle

  150. Published

    Enhancing surface enhanced Raman scattering (SERS) detection of propranolol with multiobjective evolutionary optimization

    Levene, C., Correa, E., Blanch, E. W. & Goodacre, R., 18 Sep 2012, In : Analytical Chemistry. 84, 18, p. 7899-7905 6 p.

    Research output: Contribution to journalArticle

  151. Published

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

    Ellis, D., Brewster, V., Dunn, W., Allwood, J., Golovanov, A. & Goodacre, R., 7 Sep 2012, In : Chemical Society Reviews. 41, 17, p. 5706-5727 21 p.

    Research output: Contribution to journalArticle

  152. Published

    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., Sep 2012, In : Molecular BioSystems. 8, 9, p. 2274-2288 14 p.

    Research output: Contribution to journalArticle

  153. Published

    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. & Treves Brown, B. J., 15 Aug 2012, In : Journal of Chromatography B: Analytical Technologies in the Biomedical and Life Sciences. 903, p. 53-59 6 p.

    Research output: Contribution to journalArticle

  154. Published

    Detection and quantification of bacterial spoilage in milk and pork meat using MALDI-TOF-MS and multivariate analysis

    Nicolaou, N., Xu, Y. & Goodacre, R., 17 Jul 2012, In : Analytical Chemistry. 84, 14, p. 5951-5958 7 p.

    Research output: Contribution to journalArticle

  155. Published

    Rapid reagentless quantification of alginate biosynthesis in Pseudomonas fluorescens 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., Valla, S. & Goodacre, R., Jul 2012, In : Analytical and bioanalytical chemistry. 403, 9, p. 2591-2599 9 p.

    Research output: Contribution to journalArticle

  156. Published

    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., 21 Jun 2012, In : Analyst. 137, 12, p. 2791-2798 7 p.

    Research output: Contribution to journalArticle

  157. Published

    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., Wilkie, M., Davies, S., Topley, N. & Brenchley, P., Jun 2012, In : Nephrology, Dialysis, Transplantation. 27, 6, p. 2502-2510 8 p.

    Research output: Contribution to journalArticle

  158. Published

    Metabolomics-assisted synthetic biology

    Ellis, D. I. & Goodacre, R., Feb 2012, In : Current Opinion in Biotechnology. 23, 1, p. 22-28 7 p.

    Research output: Contribution to journalReview article

  159. Published

    Vibrational Spectroscopy for "Food Forensics"

    Brewster, V. L. & Goodacre, R., 10 Jan 2012, Infrared and Raman Spectroscopy in Forensic Science|Infrared and Raman Spectrosc. in Forensic Sci.. 1 ed. Chichester: John Wiley & Sons Ltd, p. 583-592 9 p.

    Research output: Chapter in Book/Report/Conference proceedingChapter

  160. Published

    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, In : Methods in Molecular Biology. 860, p. 157-176 19 p.

    Research output: Contribution to journalArticle

  161. Published

    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, In : Methods in Molecular Biology. 860, p. 31-49 18 p.

    Research output: Contribution to journalArticle

  162. 2011
  163. Published

    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., Dec 2011, In : Biotechnology and Bioengineering. 108, 12, p. 3025-3031 6 p.

    Research output: Contribution to journalArticle

  164. Published

    The importance of protonation in the investigation of protein phosphorylation using raman spectroscopy and raman optical activity

    Ashton, L., Johannessen, C. & Goodacre, R., 15 Oct 2011, In : Analytical Chemistry. 83, 20, p. 7978-7983 5 p.

    Research output: Contribution to journalArticle

  165. Published

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

    Dunn, W. B., Goodacre, R., Neyses, L. & Mamas, M., Oct 2011, In : Bioanalysis. 3, 19, p. 2205-2222 17 p.

    Research output: Contribution to journalArticle

  166. Published

    Dupuytren's: A systems biology disease

    Rehman, S., Goodacre, R., Day, P. J., Bayat, A. & Westerhoff, H. V., 12 Sep 2011, In : Arthritis Res Ther. 13, 5, 238.

    Research output: Contribution to journalArticle

  167. Published

    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., Priest, L., Blackhall, F. H., Whetton, A. D., Dive, C. & Goodacre, R., 1 Sep 2011, In : Analytical Chemistry. 83, 17, p. 6689-6697 8 p.

    Research output: Contribution to journalArticle

  168. Published

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

    Dunn, W., Lloyd, A. J., William Allwood, J., Winder, C. L., Dunn, W. B., Heald, J. K., Cristescu, S. M., Sivakumaran, A., Harren, F. J. M., Mulema, J., Denby, K., Goodacre, R., Smith, A. R. & Mur, L. A. J., Sep 2011, In : Plant Journal. 67, 5, p. 852-868 16 p.

    Research output: Contribution to journalArticle

  169. Published

    Raman spectroscopy: Lighting up the future of microbial identification

    Ashton, L., Lau, K., Winder, C. L. & Goodacre, R., Sep 2011, In : Future microbiology. 6, 9, p. 991-997 6 p.

    Research output: Contribution to journalArticle

  170. Published

    Monitoring the glycosylation status of proteins using raman spectroscopy

    Brewster, V. L., Ashton, L. & Goodacre, R., 1 Aug 2011, In : Analytical Chemistry. 83, 15, p. 6074-6081 7 p.

    Research output: Contribution to journalArticle

  171. Published

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

    Sellick, C. A., Hansen, R., Stephens, G. M., Goodacre, R. & Dickson, AJ., 28 Jul 2011, In : Nat Protoc. 6, 8, p. 1241-1249 8 p.

    Research output: Contribution to journalArticle

  172. Published
  173. Published

    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., Jul 2011, In : Green Chemistry. 13, 7, p. 1843-1851 8 p.

    Research output: Contribution to journalArticle

  174. Published

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

    Dunn, W., Winder, C. L., Dunn, W. B. & Goodacre, R., Jul 2011, In : Trends in Microbiology. 19, 7, p. 315-322 7 p.

    Research output: Contribution to journalArticle

  175. Published

    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., 14 Jun 2011, In : Dalton Transactions. 40, 22, p. 5939-5952 13 p.

    Research output: Contribution to journalArticle

  176. Published

    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., Brown, M., Knowles, J. D., Halsall, A., Haselden, J. N., Nicholls, A. W., Wilson, I. D., Kell, D. B. & Goodacre, R., Jun 2011, In : Nature protocols. 6, 7, p. 1060-1083 23 p.

    Research output: Contribution to journalArticle

  177. Published

    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., Allwood, J. W., Erban, A., Dunn, W. B., Kay, L., de Koning, S., de Vos, R. C. H., Jonker, H., Mumm, R., Deborde, C., Maucourt, M., Bernillon, S., Gibon, Y., Hansen, T. H., Husted, S. & 5 othersGoodacre, R., Kopka, J., Schjoerring, J. K., Rolin, D. & Hall, R. D., May 2011, In : New Phytologist. 190, 3, p. 683-696 13 p.

    Research output: Contribution to journalArticle

  178. Published

    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., Goodacre, R. & Smales, C. M., 15 Apr 2011, In : Biochemical Journal. 435, 2, p. 499-508 9 p.

    Research output: Contribution to journalArticle

  179. Published

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

    Mamas, M., Brown, M., Wedge, D. C., Goodacre, R., Kell, D. B., Baker, P. N., Kenny, L. C., Mamas, M. A., Neyses, L. & Dunn, W. B., Apr 2011, In : Bioinformatics. 27, 8, p. 1108-1112 4 p., btr079.

    Research output: Contribution to journalArticle

  180. Published

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

    Nicolaou, N., Xu, Y. & Goodacre, R., Apr 2011, In : Analytical and bioanalytical chemistry. 399, 10, p. 3491-3502 11 p.

    Research output: Contribution to journalArticle

  181. Published

    Metabolic profiling of meat: Assessment of pork hygiene and contamination with Salmonella typhimurium

    Dunn, W., Xu, Y., Cheung, W., Winder, C. L., Dunn, W. B. & Goodacre, R., 7 Feb 2011, In : Analyst. 136, 3, p. 508-514 6 p.

    Research output: Contribution to journalArticle

  182. Published
  183. Published

    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., Jan 2011, In : Analytical and bioanalytical chemistry. 399, 1, p. 387-401 14 p.

    Research output: Contribution to journalArticle

  184. Published

    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., Jan 2011, In : Chemical Society Reviews. 40, 1, p. 387-426 39 p.

    Research output: Contribution to journalArticle

  185. Published

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

    Mamas, M., Dunn, W. B., Neyses, L. & Goodacre, R., Jan 2011, In : Archives of Toxicology. 85, 1, p. 5-17 12 p.

    Research output: Contribution to journalArticle

  186. 2010
  187. Published

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

    Nicolaou, N., Xu, Y. & Goodacre, R., Dec 2010, In : Journal of Dairy Science. 93, 12, p. 5651-5660 9 p.

    Research output: Contribution to journalArticle

  188. Published

    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., Dec 2010, In : Environmental microbiology. 12, 12, p. 3253-3263 10 p.

    Research output: Contribution to journalArticle

  189. Published

    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., Dec 2010, In : Archives of Dermatological Research. 302, 10, p. 705-715 10 p.

    Research output: Contribution to journalArticle

  190. Published

    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., Hampson, L., Hampson, I. N. & Goodacre, R., Dec 2010, In : Analytical and bioanalytical chemistry. 398, 7-8, p. 3051-3061 10 p.

    Research output: Contribution to journalArticle

  191. Published

    Rapid characterization of N-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., Dec 2010, In : Biotechnology and Bioengineering. 107, 5, p. 902-908 6 p.

    Research output: Contribution to journalArticle

  192. Published

    Phenotypic characterization of shewanella oneidensis 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., Sep 2010, In : Applied and environmental microbiology. 76, 18, p. 6266-6276 10 p.

    Research output: Contribution to journalArticle

  193. Published

    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., Jul 2010, In : Analytical and bioanalytical chemistry. 397, 5, p. 1893-1901 8 p.

    Research output: Contribution to journalArticle

  194. Published

    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., Baguneid, M. S. & Bayat, A., Jul 2010, In : Wound Repair and Regeneration. 18, 4, p. 391-400 9 p.

    Research output: Contribution to journalArticle

  195. Published

    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., Jul 2010, In : Analytical and bioanalytical chemistry. 397, 6, p. 2439-2449 10 p.

    Research output: Contribution to journalArticle

  196. Published

    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., 15 Jun 2010, In : Biotechnology and Bioengineering. 106, 3, p. 432-442 10 p.

    Research output: Contribution to journalArticle

  197. Published

    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., Hampson, I. N. & Goodacre, R., Jun 2010, In : Analyst. 135, 6, p. 1235-1244 9 p.

    Research output: Contribution to journalArticle

  198. Published

    Monitoring the succinate dehydrogenase activity isolated from mitochondria by surface enhanced Raman scattering

    Hollywood, K. A., Shadi, I. T. & Goodacre, R., 29 Apr 2010, In : Journal of Physical Chemistry C. 114, 16, p. 7308-7313 5 p.

    Research output: Contribution to journalArticle

  199. Published

    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., 29 Apr 2010, In : Journal of Physical Chemistry C. 114, 16, p. 7285-7290 5 p.

    Research output: Contribution to journalArticle

  200. Published

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

    William Allwood, J., Clarke, A., Goodacre, R. & Mur, L. A. J., Apr 2010, In : Phytochemistry. 71, 5-6, p. 590-597 7 p.

    Research output: Contribution to journalArticle

  201. Published

    Monitoring the effects of chiral pharmaceuticals on aquatic microorganisms by metabolic fingerprinting

    Wharfe, E. S., Winder, C. L., Jarvis, R. M. & Goodacre, R., Apr 2010, In : Applied and environmental microbiology. 76, 7, p. 2075-2085 10 p.

    Research output: Contribution to journalArticle

  202. Published

    Metabolic acclimation to hypoxia revealed by metabolite gradients in melon fruit

    Biais, B., Beauvoit, B., William Allwood, J., Deborde, C., Maucourt, M., Goodacre, R., Rolin, D. & Moing, A., 15 Feb 2010, In : Journal of Plant Physiology. 167, 3, p. 242-245 3 p.

    Research output: Contribution to journalArticle

  203. Published

    Impact of silver(I) on the metabolism of Shewanella oneidensis

    Wang, H., Law, N., Pearson, G., Van Dongen, B. E., Jarvis, R. M., Goodacre, R. & Lloyd, J. R., Feb 2010, In : Journal of Bacteriology. 192, 4, p. 1143-1150 7 p.

    Research output: Contribution to journalArticle

  204. Published

    A robot scientist approach towards optimization of SERS

    Levene, C., Correa, E., Goodacre, R. & Blanch, E. W., 2010, AIP Conference Proceedings|AIP Conf. Proc.. Vol. 1267. p. 968-969 1 p. (AIP Conference Proceedings).

    Research output: Chapter in Book/Report/Conference proceedingChapter

  205. Published

    An introduction to liquid chromatography-mass spectrometry instrumentation applied in plant metabolomic analyses

    Allwood, J. W. & Goodacre, R., 2010, In : Phytochemical Analysis. 21, 1, p. 33-47 14 p.

    Research output: Contribution to journalArticle

  206. Published
  207. Published

    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, In : Metabolomics. 6, 3, p. 427-438 11 p.

    Research output: Contribution to journalArticle

  208. Published

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

    Fowler, S., Basanta, M., Jarvis, R. M., Xu, Y., Blackburn, G., Tal-Singer, R., Woodcock, A., Singh, D., Goodacre, R., Paul Thomas, C. L. & Fowler, S. J., 2010, In : Analyst. 135, 2, p. 315-320 5 p.

    Research output: Contribution to journalArticle

  209. Published

    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., Goodacre, R., Newman, W. & Watson, A., 2010, In : British Journal of Surgery. 97, p. S23-S23

    Research output: Contribution to journalArticle

  210. Published

    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, Advances in applied microbiology|Adv. Appl. Microbiol.. Vol. 70. p. 153-186 33 p. (Advances in Applied Microbiology).

    Research output: Chapter in Book/Report/Conference proceedingChapter

  211. 2009
  212. Published

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

    Dunn, W., Allwood, J. W., Erban, A., de Koning, S., Dunn, W. B., Luedemann, A., Lommen, A., Kay, L., Löscher, R., Kopka, J. & Goodacre, R., Dec 2009, In : Metabolomics. 5, 4, p. 479-496 17 p.

    Research output: Contribution to journalArticle

  213. Published

    Optimizing CHO cell culture conditions

    Sellick, C., Maqsood, A., Croxford, A., Dickson, A., Goodacre, R. & Stephens, G., Oct 2009, In : Genetic Engineering and Biotechnology News. 29, 17

    Research output: Contribution to journalArticle

  214. Published

    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., Knowles, J., Goodacre, R., Kell, D. B. & HUSERMET Consortium, 15 Aug 2009, In : Analytical Chemistry. 81, 16, p. 7038-46 9 p.

    Research output: Contribution to journalArticle

  215. Published

    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., Goodacre, R., Wilson, M., Thomas, N., Clarke, R. B. & Howell, A., Aug 2009, In : Cancer Prevention Research. 2, 8, p. 720-731 11 p.

    Research output: Contribution to journalArticle

  216. Published

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

    Goodacre, R., Cheung, W. & Shadi, I. T., Aug 2009, In : Analytical and bioanalytical chemistry. 394, 7, p. 1833-1838 5 p.

    Research output: Contribution to journalArticle

  217. Published

    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., Begley, P., Carroll, K., Broadhurst, D., Tseng, A., Swainston, N., Spasic, I., Goodacre, R. & Kell, D. B., Jul 2009, In : Analyst. 134, 7, p. 1322-32 11 p.

    Research output: Contribution to journalArticle

  218. Published

    1H 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., Dunn, W. B., Jacob, D., Goodacre, R., Rolin, D. & Moing, A., 15 Apr 2009, In : Analytical Chemistry. 81, 8, p. 2884-2894 10 p.

    Research output: Contribution to journalArticle

  219. Published

    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., 1 Jan 2009, In : Analytical Chemistry. 81, 1, p. 174-183 9 p.

    Research output: Contribution to journalArticle

  220. Published

    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, In : Analyst. 134, 3, p. 557-563 6 p.

    Research output: Contribution to journalArticle

  221. Published

    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, In : Analyst. 134, 11, p. 2352-2360 8 p.

    Research output: Contribution to journalArticle

  222. Published

    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, In : Analyst. 134, 2, p. 301-307 6 p.

    Research output: Contribution to journalArticle

  223. Published

    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, In : Metabolomics. 5, 1, p. 150-161 11 p.

    Research output: Contribution to journalArticle

  224. Published

    Raman Spectroscopic techniques for biotechnology and bioprocessing..

    Brewster, V. L., Jarvis, R. M. & Goodacre, R., 2009, In : European Pharmaceutical Review.. 14, p. 48-52

    Research output: Contribution to journalArticle

  225. 2008
  226. Published

    Surface-enhanced raman scattering from intracellular and extracellular bacterial locations

    Jarvis, R. M., Law, N., Shadi, I. T., O'Brien, P., Lloyd, J. R. & Goodacre, R., 1 Sep 2008, In : Analytical Chemistry. 80, 17, p. 6741-6746 5 p.

    Research output: Contribution to journalArticle

  227. Published

    Relatedness of medically important strains of Saccharomyces cerevisiae 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., Günther, A., James, S. A., Eagles, J., Philo, M., Goodacre, R. & Roberts, I. N., Jul 2008, In : Yeast. 25, 7, p. 501-512 11 p.

    Research output: Contribution to journalArticle

  228. Published

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

    Stephens, G., Winder, C. L., Dunn, W. B., Schuler, S., Broadhurst, D., Jarvis, R., Stephens, G. M. & Goodacre, R., 15 Apr 2008, In : Analytical Chemistry. 80, 8, p. 2939-2948 9 p.

    Research output: Contribution to journalArticle

  229. Published

    Subsurface biomolecular imaging of Streptomyces coelicolor using secondary ion mass spectrometry

    Vaidyanathan, S., Fletcher, J. S., Goodacre, R., Lockyer, N. P., Micklefield, J. & Vickerman, J. C., 15 Mar 2008, In : Analytical Chemistry. 80, 6, p. 1942-1951 9 p.

    Research output: Contribution to journalArticle

  230. Published

    Metabolomic technologies and their application to the study of plants and plant–host interactions

    Allwood, J. W., Ellis, D. I. & Goodacre, R., 8 Feb 2008, In : Physiologia Plantarum. 132, 2, p. 117-135 19 p.

    Research output: Contribution to journalReview article

  231. Published

    Metabolomic technologies and their application to the study of plants and plant-host interactions

    Allwood, J. W., Ellis, D. I. & Goodacre, R., Feb 2008, In : Physiologia Plantarum. 132, 2, p. 117-135 19 p.

    Research output: Contribution to journalArticle

  232. Published

    Accumulation of ionic liquids in Escherichia coli cells

    Cornmell, R. J., Winder, C. L., Tiddy, G. J. T., Goodacre, R. & Stephens, G., 2008, In : Green Chemistry. 10, 8, p. 836-841 5 p.

    Research output: Contribution to journalArticle

  233. Published

    Characterisation and identification of bacteria using SERS

    Jarvis, R. M. & Goodacre, R., 2008, In : Chemical Society Reviews. 37, 5, p. 931-936 5 p.

    Research output: Contribution to journalArticle

  234. Published

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

    Cossins, A., Hayward, S., Gossage, S. & Goodacre, R., 2008, In : Comparative Biochemistry and Physiology Part a Molecular and Integrative Physiology. 150, p. S43-S43

    Research output: Contribution to journalArticle

  235. Published

    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, In : Analyst. 133, 11, p. 1505-1512 7 p.

    Research output: Contribution to journalArticle

  236. Published

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

    Nicolaou, N. & Goodacre, R., 2008, In : Analyst. 133, 10, p. 1424-1431 7 p.

    Research output: Contribution to journalArticle

  237. Published

    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, International Conference on Signal Processing Proceedings, ICSP|Int Conf Signal Process Proc. Institute of Electrical and Electronics Engineers , p. 2717-2720 3 p.

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

  238. Published

    Towards quantitatively reproducible substrates for SERS

    Jarvis, R. M., Johnson, H. E., Olembe, E., Panneerselvam, A., Malik, M. A., Afzaal, M., O'Brien, P. & Goodacre, R., 2008, In : Analyst. 133, 10, p. 1449-1452 3 p.

    Research output: Contribution to journalArticle

  239. Published

    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, In : Green Chemistry. 10, 6, p. 685-691 6 p.

    Research output: Contribution to journalArticle

  240. 2007
  241. Published

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

    Brown, D. M., Goubet, F., Wong, V. W., Goodacre, R., Stephens, E., Dupree, P. & Turner, S. R., Dec 2007, In : Plant Journal. 52, 6, p. 1154-1168 14 p.

    Research output: Contribution to journalArticle

  242. Published

    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., Dec 2007, In : Metabolomics. 3, 4, p. 489-501 13 p.

    Research output: Contribution to journalArticle

  243. Published

    Metabolic fingerprinting as a diagnostic tool

    Ellis, D. I., Dunn, W. B., Griffin, J. L., Allwood, J. W. & Goodacre, R., Sep 2007, In : Pharmacogenomics. 8, 9, p. 1243-1266 24 p.

    Research output: Contribution to journalReview article

  244. Published

    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., Sep 2007, In : Reproductive BioMedicine Online. 15, 3, p. 296-302 7 p., 2892.

    Research output: Contribution to journalArticle

  245. Published

    Proposed minimum reporting standards for chemical analysis: Chemical Analysis Working Group (CAWG) Metabolomics Standards Initiative (MSI)

    Sumner, L. W., Amberg, A., Barrett, D., Beale, M. H., Beger, R., Daykin, C. A., Fan, T. W. M., Fiehn, O., Goodacre, R., Griffin, J. L., Hankemeier, T., Hardy, N., Harnly, J., Higashi, R., Kopka, J., Lane, A. N., Lindon, J. C., Marriott, P., Nicholls, A. W., Reily, M. D. & 2 othersThaden, J. J. & Viant, M. R., Sep 2007, In : Metabolomics. 3, 3, p. 211-221 10 p.

    Research output: Contribution to journalArticle

  246. Published

    Proposed minimum reporting standards for data analysis in metabolomics

    Goodacre, R., Broadhurst, D., Smilde, A. K., Kristal, B. S., Baker, J. D., Beger, R., Bessant, C., Connor, S., Capuani, G., Craig, A., Ebbels, T., Kell, D. B., Manetti, C., Newton, J., Paternostro, G., Somorjai, R., Sjöström, M., Trygg, J. & Wulfert, F., Sep 2007, In : Metabolomics. 3, 3, p. 231-241 11 p.

    Research output: Contribution to journalArticle

  247. Published

    The metabolomics standards initiative (MSI)

    Fiehn, O., Robertson, D., Griffin, J., vab der Werf, M., Nikolau, B., Morrison, N., Sumner, L. W., Goodacre, R., Hardy, N. W., Taylor, C., Fostel, J., Kristal, B., Kaddurah-Daouk, R., Mendes, P., van Ommen, B., Lindon, J. C. & Sansone, S. A., Sep 2007, In : Metabolomics. 3, 3, p. 175-178 3 p.

    Research output: Contribution to journalArticle

  248. Published

    Metabolic footprinting as a tool for discriminating between brewing yeasts

    Pope, G. A., MacKenzie, D. A., Defernez, M., Aroso, M. A. M. M., Fuller, L. J., Mellon, F. A., Dunn, W. B., Brown, M., Goodacre, R., Kell, D. B., Marvin, M. E., Louis, E. J. & Roberts, I. N., Aug 2007, In : Yeast. 24, 8, p. 667-679 12 p.

    Research output: Contribution to journalArticle

  249. Published

    The Metabolomics Standards Initiative [3]

    Sansone, S. A., Fan, T., Goodacre, R., Griffin, J. L., Hardy, N. W., Kaddurah-Daouk, R., Kristal, B. S., Lindon, J., Mendes, P., Morrison, N., Nikolau, B., Robertson, D., Sumner, L. W., Taylor, C., Van Der Werf, M., Van Ommen, B. & Fiehn, O., Aug 2007, In : Nature biotechnology. 25, 8, p. 846-848 2 p.

    Research output: Contribution to journalArticle

  250. Published

    Metabolomics of a superorganism

    Goodacre, R., Jan 2007, In : Journal Of Nutrition. 137, 1

    Research output: Contribution to journalArticle

  251. Published

    Quantification of casein phosphorylation with conformational interpretation using Raman spectroscopy

    Jarvis, R. M., Blanch, E. W., Golovanov, A. P., Screen, J. & Goodacre, R., 2007, In : Analyst. 132, 10, p. 1053-1060 7 p.

    Research output: Contribution to journalArticle

  252. Published

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

    Vaidyanathan, S. & Goodacre, R., 2007, In : Rapid communications in mass spectrometry : RCM. 21, 13, p. 2072-2078 6 p.

    Research output: Contribution to journalArticle

  253. Published

    Rapid detection method for microbial spoilage using FT-IR and machine learning

    Ellis, D. I., Broadhurst, D., Rowland, J. J. & Goodacre, R., 2007, Rapid Methods: For food and feed quality determination. The Netherlands: Wageningen Academic Publishers, Vol. 10. p. 73-81 9 p.

    Research output: Chapter in Book/Report/Conference proceedingChapter

  254. 2006
  255. Published

    Rapid characterization of microbial biodegradation pathways by FT-IR spectroscopy

    Huang, W. E., Hopper, D., Goodacre, R., Beckmann, M., Singer, A. & Draper, J., Nov 2006, In : Journal of Microbiological Methods. 67, 2, p. 273-280 7 p.

    Research output: Contribution to journalArticle

  256. Published

    PYCHEM: A multivariate analysis package for python

    Jarvis, R. M., Broadhurst, D., Johnson, H., O'Boyle, N. M. & Goodacre, R., Oct 2006, In : Bioinformatics. 22, 20, p. 2565-2566 1 p.

    Research output: Contribution to journalArticle

  257. Published

    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., Sep 2006, In : Microbiology. 152, 9, p. 2757-2765 8 p.

    Research output: Contribution to journalArticle

  258. Published

    Metabolomics: Current technologies and future trends

    Hollywood, K., Brison, D. R. & Goodacre, R., Sep 2006, In : Proteomics. 6, 17, p. 4716-4723 7 p.

    Research output: Contribution to journalArticle

  259. Published

    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., Aug 2006, In : Global Change Biology. 12, 8, p. 1460-1465 5 p.

    Research output: Contribution to journalArticle

  260. Published

    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., 30 Jul 2006, In : Applied Surface Science. 252, 19, p. 6869-6874 5 p.

    Research output: Contribution to journalArticle

  261. Published

    ToF-SIMS studies of Bacillus 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., 30 Jul 2006, In : Applied Surface Science. 252, 19, p. 6719-6722 3 p.

    Research output: Contribution to journalArticle

  262. Published

    Rapid analysis of microbiological systems using SERS

    Jarvis, R., Clarke, S. & Goodacre, R., 21 Jun 2006, In : Topics in Applied Physics. 103, p. 397-408 11 p.

    Research output: Contribution to journalArticle

  263. Published
  264. Published

    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., Goodacre, R., Ganey, P. E., Cantor, G. H., Cockerell, G. L. & Roth, R. A., 1 Apr 2006, In : Toxicology and applied pharmacology. 212, 1, p. 35-44 9 p.

    Research output: Contribution to journalArticle

  265. Published

    The rapid differentiation of Streptomyces isolates using Fourier transform infrared spectroscopy

    Zhao, HJ., Parry, RL., Ellis, DI., Griffith, GW. & Goodacre, R., 17 Mar 2006, In : Vibrational Spectroscopy. 40, 2, p. 213-218 6 p.

    Research output: Contribution to journalArticle

  266. Published

    An improved fluorescemt amplified fragment length polymorphism method for typing Mycobacterium tuberculosis [2]

    Kassama, Y., Shemko, M., Shetty, N., Fang, Z., MacIntire, G., Gant, V., Zumla, A. & Goodacre, R., Jan 2006, In : Journal of clinical microbiology. 44, 1, p. 288-289 1 p.

    Research output: Contribution to journalArticle

  267. Published

    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, In : Journal of the Institute of Brewing. 112, 4, p. 333-339 6 p.

    Research output: Contribution to journalArticle

  268. Published

    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, In : Rapid communications in mass spectrometry : RCM. 20, 1, p. 21-30 9 p.

    Research output: Contribution to journalArticle

  269. Published

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

    Vaidyanathan, S., Gaskell, S. & Goodacre, R., 2006, In : Rapid communications in mass spectrometry : RCM. 20, 8, p. 1192-1198 6 p.

    Research output: Contribution to journalArticle

  270. Published

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

    Ellis, D. I. & Goodacre, R., 2006, In : Analyst. 131, 8, p. 875-885 11 p.

    Research output: Contribution to journalReview article

  271. Published

    Metabolomics of a superorganism

    Goodacre, R., 2006, International Research Conference on Food, Nutrition, and Cancer. C. S. C., C. I. H., I. P. I. I. K. U. J., N. F. I. & U. S. B. (eds.). American Society for Nutritional Sciences, Vol. 137. p. 259S-266S

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

  272. Published

    Quantitative detection and identification methods for microbial spoilage

    Ellis, D. I. & Goodacre, R., 2006, Food spoilage microorganisms. Blackburn, C. D. W. (ed.). Woodhead Publishing, p. 3-27 25 p. (Woodhead Publishing Series in food science, technology and nutrition).

    Research output: Chapter in Book/Report/Conference proceedingChapter

  273. Published

    Surface-enhanced Raman scattering for the rapid discrimination of bacteria

    Jarvis, R. M., Brooker, A. & Goodacre, R., 2006, In : Faraday Discussions. 132, p. 281-292 11 p.

    Research output: Contribution to journalArticle

  274. 2005
  275. Published

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

    Ellis, DI., Broadhurst, D., Clarke, SJ. & Goodacre, R., Dec 2005, In : Analyst. 130, 12, p. 1648-1654 6 p.

    Research output: Contribution to journalArticle

  276. Published

    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., Williams, P. A., Scullion, J. & Draper, J., Oct 2005, In : Metabolomics. 1, 4, p. 305-315 10 p.

    Research output: Contribution to journalArticle

  277. Published

    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., Hayes, A., Burton, N., Oliver, S. G., Kell, D. B. & Goodacre, R., Jul 2005, In : Metabolomics. 1, 3, p. 243-250 7 p.

    Research output: Contribution to journalArticle

  278. Published

    Metabolic fingerprinting for bio-indication of nitrogen responses in Calluna vulgaris heath communities

    Gidman, E. A., Goodacre, R., Emmett, B., Wilson, D. B., Carroll, J. A., Caporn, S. J. M., Cresswell, N. & Gwynn-Jones, D., Jul 2005, In : Metabolomics. 1, 3, p. 279-285 6 p.

    Research output: Contribution to journalArticle

  279. Published

    Rapid monitoring of antibiotics using Raman and surface enhanced Raman spectroscopy

    Clarke, S. J., Littleford, R. E., Smith, W. E. & Goodacre, R., Jul 2005, In : Analyst. 130, 7, p. 1019-1026 7 p.

    Research output: Contribution to journalArticle

  280. Published

    Monitoring the mode of action of antibiotics using raman spectroscopy: Investigating subinhibitory effects of amikacin on Pseudomonas aeruginosa

    López-Díez, E. C., Winder, C. L., Ashton, L., Currie, F. & Goodacre, R., 1 May 2005, In : Analytical Chemistry. 77, 9, p. 2901-2906 5 p.

    Research output: Contribution to journalArticle

  281. Published

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

    Jarvis, R. M. & Goodacre, R., 1 Apr 2005, In : Bioinformatics. 21, 7, p. 860-868 8 p.

    Research output: Contribution to journalArticle

  282. Published

    A metabolome pipeline: from concept to data to knowledge

    Brown, M., Dunn, W. B., Ellis, D. I., Goodacre, R., Handl, J., Knowles, J. D., O'Hagan, S., Spasic, I. & Kell, D. B., Mar 2005, In : Metabolomics. 1, 1, p. 39-51 13 p.

    Research output: Contribution to journalArticle

  283. Published

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

    Goodacre, R., Jan 2005, In : Journal of Experimental Botany. 56, 410, p. 245-254 9 p.

    Research output: Contribution to journalArticle

  284. Published

    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, In : Plant Cell. 17, 8, p. 2281-2295 14 p.

    Research output: Contribution to journalArticle

  285. Published

    Metabolome analyses: Strategies for systems biology

    Vaidyanathan, S., Harrigan, G. G. & Goodacre, R., 2005, Boston: Springer Nature . 389 p.

    Research output: Book/ReportScholarly edition

  286. Published

    Raman spectroscopy: applications in bioprocesses and biotechnology

    Goodacre, R. & Jarvis, R. M., 2005, In : European Pharmaceutical Review. 11, p. 72-77 6 p.

    Research output: Contribution to journalArticle

  287. 2004
  288. Published

    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., Fiehn, O., Goodacre, R., Bino, R. J., Hall, R., Kopka, J., Lane, G. A., Lange, B. M., Liu, J. R., Mendes, P., Nikolau, B. J., Oliver, S. G., Paton, N. W., Rhee, S., Roessner-Tunali, U. & 7 othersSaito, K., Smedsgaard, J., Sumner, L. W., Wang, T., Walsh, S., Wurtele, E. S. & Kell, D. B., Dec 2004, In : Nature biotechnology. 22, 12, p. 1601-1606 5 p.

    Research output: Contribution to journalArticle

  289. Published

    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., Dec 2004, In : Water, Air, and Soil Pollution: Focus. 4, 6, p. 251-258 7 p.

    Research output: Contribution to journalArticle

  290. Published

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

    Winder, C. L. & Goodacre, R., Nov 2004, In : Analyst. 129, 11, p. 1118-1122 4 p.

    Research output: Contribution to journalArticle

  291. Published
  292. Published

    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., 1 Sep 2004, In : Analytical Chemistry. 76, 17, p. 5024-5032 8 p.

    Research output: Contribution to journalArticle

  293. Published

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

    Jarvis, R. M., Brooker, A. & Goodacre, R., 1 Sep 2004, In : Analytical Chemistry. 76, 17, p. 5198-5202 4 p.

    Research output: Contribution to journalArticle

  294. Published

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

    Ellis, DI., Broadhurst, D. & Goodacre, R., 1 Jul 2004, In : Analytica Chimica Acta. 514, 2, p. 193-201 8 p.

    Research output: Contribution to journalArticle

  295. Published

    Metabolomics by numbers: Acquiring and understanding global metabolite data

    Goodacre, R., Vaidyanathan, S., Dunn, W. B., Harrigan, G. G. & Kell, D. B., May 2004, In : Trends in Biotechnology. 22, 5, p. 245-252 7 p.

    Research output: Contribution to journalArticle

  296. Published

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

    Jarvis, R. M. & Goodacre, R., 19 Mar 2004, In : FEMS microbiology letters. 232, 2, p. 127-132 5 p.

    Research output: Contribution to journalArticle

  297. Published

    Metabolic profiling: Pathways in discovery

    Goodacre, R., 15 Mar 2004, In : Drug discovery today. 9, 6, p. 260-261 1 p.

    Research output: Contribution to journalArticle

  298. Published

    Whole-organism Fingerprinting of the Genus Carnobacterium using Fourier Transform Infrared Spectroscopy (FT-IR)

    Lai, S., Goodacre, R. & Manchester, L. N., Mar 2004, In : Systematic and Applied Microbiology. 27, 2, p. 186-191 5 p.

    Research output: Contribution to journalArticle

  299. Published

    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., Luyendyk, J. P., Ganey, P. E. & Roth, R. A., 2 Feb 2004, In : Toxicology Letters. 146, 3, p. 197-205 8 p.

    Research output: Contribution to journalArticle

  300. Published

    Characterization of Microorganisms Using UV Resonance Raman Spectroscopy and Chemometrics

    López-Díez, E. C. & Goodacre, R., 1 Feb 2004, In : Analytical Chemistry. 76, 3, p. 585-591 6 p.

    Research output: Contribution to journalArticle

  301. Published

    Influence of malt, wheat, and barley extracts on the bile tolerance of selected strains of lactobacilli

    Goodacre, R., Patel, H. M., Pandiella, S. S., Wang, R. H. & Webb, C., Feb 2004, In : Food Microbiology. 21, 1, p. 83-89 6 p.

    Research output: Contribution to journalArticle

  302. Published

    Discrimination of Bacteria Using Surface-Enhanced Raman Spectroscopy

    Jarvis, R. M. & Goodacre, R., 1 Jan 2004, In : Analytical Chemistry. 76, 1, p. 40-47 7 p.

    Research output: Contribution to journalArticle

  303. Published

    Resuscitation of "uncultured" microorganisms.

    Kell, D. B., Mukamolova, G. V., Finan, C. L., Zhao, H., Goodacre, R., Kaprelyants, A. S. & Young, M., 2004, Microbial Diversity and Bioprospecting.

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

  304. Published

    The rapid identification of Acinetobacter species using Fourier transform infrared spectroscopy

    Winder, C. L., Carr, E., Goodacre, R. & Seviour, R., 2004, In : Journal of Applied Microbiology. 96, 2, p. 328-339 11 p.

    Research output: Contribution to journalArticle

  305. 2003
  306. Published

    Explanatory Optimization of Protein Mass Spectrometry via Genetic Search

    Vaidyanathan, S., Broadhurst, D. I., Kell, D. B. & Goodacre, R., 1 Dec 2003, In : Analytical Chemistry. 75, 23, p. 6679-6686 7 p.

    Research output: Contribution to journalArticle

  307. Published

    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., 8 Oct 2003, In : Journal of agricultural and food chemistry. 51, 21, p. 6145-6150 5 p.

    Research output: Contribution to journalArticle

  308. Published

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

    Goodacre, R., 5 Aug 2003, In : Vibrational Spectroscopy. 32, 1, p. 33-45 12 p.

    Research output: Contribution to journalArticle

  309. Published

    Functional genomics via metabolic footprinting: Monitoring metabolite secretion by Escherichia coli 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., Aug 2003, In : Comparative and Functional Genomics. 4, 4, p. 376-391 15 p.

    Research output: Contribution to journalArticle

  310. Published

    Investigating plant-plant interference by metabolic fingerprinting

    Gidman, E., Goodacre, R., Emmett, B., Smith, A. R. & Gwynn-Jones, D., Jul 2003, In : Phytochemistry. 63, 6, p. 705-710 5 p.

    Research output: Contribution to journalArticle

  311. Published

    Chemometric discrimination of unfractionated plant extracts analyzed by electrospray mass spectrometry

    Goodacre, R., York, E. V., Heald, J. K. & Scott, I. M., Mar 2003, In : Phytochemistry. 62, 6, p. 859-863 4 p.

    Research output: Contribution to journalArticle

  312. Published

    Metabolic fingerprinting of salt-stressed tomatoes

    Johnson, H. E., Broadhurst, D., Goodacre, R. & Smith, A. R., Mar 2003, In : Phytochemistry. 62, 6, p. 919-928 9 p.

    Research output: Contribution to journalArticle

  313. Published

    Evolutionary computation for the interpretation of metabolomic data.

    Goodacre, R. & Kell, D., 2003, Metabolic Profiling.

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

  314. Published

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

    Scullion, J., Goodacre, R., Elliott, G., Huang, W., Worgan, H., Gwynn-Jones, D., Griffith, G., Darby, R., Bailey, M., Clegg, C. & Draper, J., 2003, In : Pedobiologia. 47, 5-6, p. 888-894 6 p.

    Research output: Contribution to journalArticle

  315. Published

    Introduction: metabolic profiling: pathways in drug discovery.

    Harrigan, G. G. & Goodacre, R., 2003, Metabolic Profiling.

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

  316. Published

    Metabolic fingerprinting with Fourier transform infrared spectroscopy.

    Ellis, D. I., Harrigan, G. G. & Goodacre, R., 2003, Metabolic Profiling.

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

  317. Published

    Metabolic Profiling: Its Role in Biomarker Discovery and Gene Function Analysis

    Harrigan, G. G. (ed.) & Goodacre, R. (ed.), 2003, No publisher name. 335 p. (Metabolic Profileing: Its Role in Biomarker Discovery and Gene Function Analysis.)

    Research output: Book/ReportBook

  318. Published

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

    Goodacre, R. & Vaidyanathan, S., 2003, Abstracts of Papers, 225th ACS National Meeting, New Orleans, LA, United States, March 23-27, 2003.

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

  319. Published

    Metabolome and proteome profiling for microbial characterization: mass spectrometric applications.

    Vaidyanathan, S. & Goodacre, R., 2003, Metabolic Profiling.

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

  320. Published

    Raman spectroscopy for whole organism and tissue profiling.

    Clarke, S. & Goodacre, R., 2003, Metabolic Profiling.

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

  321. Published

    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., Bailey, M. J., Gwynn-Jones, D., Griffith, G. W., Winson, M. K., Williams, P. A., Clegg, C. & Draper, J., 2003, In : Pedobiologia. 47, 5-6, p. 440-446 6 p.

    Research output: Contribution to journalArticle

  322. Published

    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, In : Pedobiologia. 47, 5-6, p. 784-787 3 p.

    Research output: Contribution to journalArticle

  323. 2002
  324. Published

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

    Goodacre, R., Vaidyanathan, S., Bianchi, G. & Kell, D. B., 1 Nov 2002, In : Analyst. 127, 11, p. 1457-1462 5 p.

    Research output: Contribution to journalArticle

  325. Published

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

    Kassama, Y., Rooney, P. J. & Goodacre, R., 1 Aug 2002, In : Journal of clinical microbiology. 40, 8, p. 2795-2800 5 p.

    Research output: Contribution to journalArticle

  326. Published

    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., Rowland, J. J., Kell, D. B. & Goodacre, R., 5 Jun 2002, In : Biotechnology and Bioengineering. 78, 5, p. 527-538 11 p.

    Research output: Contribution to journalArticle

  327. Published

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

    Goodacre, R., Radovic, B. S. & Anklam, E., Apr 2002, In : Applied Spectroscopy. 56, 4, p. 521-527 6 p.

    Research output: Contribution to journalArticle

  328. Published

    Fingerprint spectrometry methods in Bacillus systematics.

    Magee, J. T. & Goodacre, R., 2002, Applications and Systematics of Bacillus and Relatives, [Meeting], Bruges, Belgium, Aug., 2000.

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

  329. Published

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

    Vaidyanathan, S., Kell, D. B. & Goodacre, R., 2002, In : Journal of the American Society for Mass Spectrometry. 13, 2, p. 118-128 10 p.

    Research output: Contribution to journalArticle

  330. Published

    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, In : Applied and environmental microbiology. 68, 6, p. 2822-2828 6 p.

    Research output: Contribution to journalArticle

  331. Published

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

    Vaidyanathan, S., Winder, C. L., Wade, S. C., Kell, D. B. & Goodacre, R., 2002, In : Rapid communications in mass spectrometry : RCM. 16, 13, p. 1276-1286 10 p.

    Research output: Contribution to journalArticle

  332. 2001
  333. Published

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

    Ellis, D. I. & Goodacre, R., Nov 2001, In : Trends in Food Science and Technology. 12, 11, p. 414-424 10 p.

    Research output: Contribution to journalReview article

  334. Published

    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., Oct 2001, In : JAOCS, Journal of the American Oil Chemists' Society. 78, 10, p. 993-1000 7 p.

    Research output: Contribution to journalArticle

  335. Published

    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., 1 Sep 2001, In : Analytical Chemistry. 73, 17, p. 4134-4144 10 p.

    Research output: Contribution to journalArticle

  336. Published

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

    Radovic, B. S., Goodacre, R. & Anklam, E., Jun 2001, In : Journal of Analytical and Applied Pyrolysis. 60, 1, p. 79-87 8 p.

    Research output: Contribution to journalArticle

  337. Published

    Degeneration of solventogenic Clostridium strains monitored by Fourier transform infrared spectroscopy of bacterial cells

    Schuster, K. C., Goodacre, R., Gapes, J. R. & Young, M., 2001, In : Journal of Industrial Microbiology and Biotechnology. 27, 5, p. 314-321 7 p.

    Research output: Contribution to journalArticle