Prof Royston Goodacre

(Former)

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Publications

  1. Article › Research › Peer-reviewed
  2. 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

  3. 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

  4. 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

  5. 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

  6. 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

  7. Published
  8. 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

  9. 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

  10. 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

  11. 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

  12. 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

  13. 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

  14. 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

  15. 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

  16. 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

  17. 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

  18. 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

  19. 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

  20. 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

  21. 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

  22. 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

  23. 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

  24. 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

  25. 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

  26. Published
  27. 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

  28. 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

  29. 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

  30. 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

  31. 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

  32. 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

  33. 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

  34. 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

  35. 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

  36. Published
  37. 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

  38. 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

  39. 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

  40. 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

  41. 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

  42. 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

  43. 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

  44. Published
  45. Published
  46. 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

  47. 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

  48. 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

  49. 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

  50. 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

  51. 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

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