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Roy Goodacre is Professor of Biological Chemistry within ISMIB and director of the Centre for Metabolomics Research. He has extensive experience in mass spectrometry-based metabolomics, Raman spectroscopy and surface-enhanced Raman scattering (SERS), as well as advanced multivariate data analysis. He developed and established long-term metabolomics which allows fusion of GC-MS and LC-MS data collected over 12-24 months. This approach is based on mathematical corrections which effectively removes any (unavoidable) chromatographic and mass spectrometry instrumental drift. This has now been taken up widely by the community, hence why his Nature Protocols paper from 2011 (6, 1060-1083) is very highly cited (~1750 times), and he has used this for large scale (n=2000) metabolic profiling studies (Nature Communications (2009) 10: 5027). In order to understand metabolic flux on a single cell level (i.e., with respect to substrate use in bacterial communities) we are also developing high spatial resolution (0.5 µm is typical) photothermal infrared imaging, Raman, SRS and CARS imaging. RG has graduated 53 PhD students and his group comprises 5 PDRAs and 8 PhD students. He has published over 450 papers has a H-index of >100 and three papers dealing with MS and metabolomics have been cited » 1000 times (https://goo.gl/CVQRuy). Key papers - 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., The Husermet consortium, Kell, D.B. & Goodacre, R. (2011) Procedures for large-scale metabolic profiling of serum and plasma using gas chromatography and liquid chromatography coupled to mass spectrometry. Nature Protocols 6, 1060-1083. - Rattray, N.J.W., Trivedi, D.K., Xu, Y., Chandola, T., Johnson, C.H., Marshall, A.D., Mekli, K., Rattray, Z., Tampubolon, G., Vanhoutte, B., White, I.R., Wu, F.C.W., Pendleton, N., Nazroo, J. & Goodacre, R. (2019) Metabolic dysregulation in vitamin E and carnitine shuttle energy mechanisms identified as drivers behind human frailty. Nature Communications 10: 5027.
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Identification

Personal identification

Full name
Roy Goodacre

Citation names

  • Goodacre, Roy

Author identifiers

Ciência ID
2F15-75EF-3723
ORCID iD
0000-0003-2230-645X

Telephones

Telephone
  • (44) 1517957689 (Professional)

Addresses

  • Department of Biochemistry and Systems Biology, Institute of Systems, Molecular and Integrative Biology, University of Liverpool, L69 7ZB, Liverpool, Merseyside, Ukraine (Professional)

Websites

Education
Degree Classification
1992/01/06
Concluded
 Microbiology (Doctor of Philosophy)
University of Bristol, United Kingdom
1988/06/20
Concluded
 Microbiology (Bachelor)
University of Bristol, United Kingdom
 2i
Affiliation

Teaching in Higher Education

Category
Host institution 		Employer
2018/11/01 - Current Full Professor (University Teacher) University of Liverpool, United Kingdom
2003/02/01 - 2018/10/31 Full Professor (University Teacher) The University of Manchester, United Kingdom
1999/04/01 - 2003/01/31 Lecturer (University Teacher) Aberystwyth University, United Kingdom
Outputs

Publications

Book
  1. Vaidyanathan, S.; Goodacre, R.. Proteome and metabolome analyses for food authentication. 2013.
    10.1533/9781855737181.1.71
  2. Allwood, J.W.; Parker, D.; Beckmann, M.; Draper, J.; Goodacre, R.. Fourier transform ion cyclotron resonance mass spectrometry for plant metabolite profiling and metabolite identification. 2012.
    10.1007/978-1-61779-594-7_11
  3. Allwood, J.W.; Heald, J.; Lloyd, A.J.; Goodacre, R.; Mur, L.A.J.. Separating the inseparable: The metabolomic analysis of plant-pathogen interactions. 2012.
    10.1007/978-1-61779-594-7_3
  4. Brewster, V.L.; Goodacre, R.. Vibrational Spectroscopy for "Food Forensics". 2012.
    10.1002/9781119962328.ch9c
  5. Allwood, J.W.; De Vos, R.C.H.; Moing, A.; Deborde, C.; Erban, A.; Kopka, J.; Goodacre, R.; Hall, R.D.. Plant metabolomics and its potential for systems biology research: Background concepts, technology, and methodology. 2011.
    10.1016/B978-0-12-385118-5.00016-5
  6. Kopka, J.; Walther, D.; William Allwood, J.; Goodacre, R.. Progress in Chemometrics and Biostatistics for Plant Applications, or: A Good Red Wine is a Bad White Wine. 2011.
    10.1002/9781444339956.ch10
  7. Allwood, J.W.; Winder, C.L.; Dunn, W.B.; Goodacre, R.. Considerations in sample preparation, collection, and extraction approaches applied in microbial, plant, and mammalian metabolic profiling. 2010.
    10.1017/CBO9780511996634.004
  8. Magee, J.T.; Goodacre, R.. Fingerprint Spectrometry Methods in Bacillus Systematics. 2008.
    10.1002/9780470696743.ch17
  9. Vaidyanathan, S.; Lopez-Diez, C.; Goodacre, R.. Proteome and metabolome analyses for monitoring food quality and authenticity. 2007.
    10.3920/978-90-8686-606-9
  10. Jarvis, R.; Clarke, S.; Goodacre, R.. Rapid analysis of microbiological systems using SERS. 2006.
    10.1007/11663898_21
  11. Ellis, D.I.; Goodacre, R.. Quantitative detection and identification methods for microbial spoilage. 2006.
    10.1533/9781845691417.1.3
  12. Vaidyanathan, S.; Goodacre, R.. Understanding the behaviour of pathogenic cells: Proteome and metabolome analyses. 2005.
    10.1533/9781845690229.1.3
  13. Vaidyanathan, S.; Harrigan, G.G.; Goodacre, R.. Metabolome analyses: Strategies for systems biology. 2005.
    10.1007/0-387-25240-1
  14. Vaidyanathan, S.; Harrigan, G.G.; Goodacre, R.. Introduction: Metabolome analyses for systems biology. 2005.
    10.1007/0-387-25240-1_1
  15. Vaidyanathan, S.; Goodacre, R.. High-throughput microbial characterizations using electrospray ionization mass spectrometry and its role in functional genomics. 2005.
    10.1002/0471748641.ch11
  16. Timmins, É.; Goodacre, R.. Discrimination and identification of microorganisms by pyrolysis mass spectrometry: From burning ambitions to cooling embers - A historical perspective. 2005.
    10.1002/0471748641.ch15
  17. Winson, M.K.; Todd, M.; Rudd, B.A.M.; Jones, A.; Alsberg, B.K.; Woodward, A.M.; Goodacre, R.; Rowland, J.J.; Kell, D.B.. A DRASTIC (Diffuse Reflectance Absorbance Spectroscopy Taking in Chemometrics) approach for the rapid analysis of microbial fermentation products: Quantification of aristeromycin and neplanocin A in Streptomyces citricolor broths. 1998.
    10.1016/S0165-3253(98)80023-0
  18. Kell, D.B.; Winson, M.K.; Goodacre, R.; Woodward, A.M.; Alsberg, B.K.; Jones, A.; Timmins, É.M.; Rowland, J.J.. DRASTIC(Diffuse Reflectance Absorbance Spectroscopy Taking In Chemometrics). A novel, rapid, hyperspectral, FT-IR-based approach to screening for biocatalytic activity and metabolite overproduction. 1998.
    10.1016/S0165-3253(98)80010-2
Conference paper
  1. Levene, C.; Correa, E.; Goodacre, R.; Blanch, E.W.. "A robot scientist approach towards optimization of SERS". 2010.
    10.1063/1.3482918
  2. Doan, X.-T.; Kidd, P.T.; Goodacre, R.; Grieve, B.D.. "Regression analysis for supply chain logged data: A simulated case study on shelf life prediction". 2008.
    10.1109/ICOSP.2008.4697709
  3. Goodacre, Royston; McGovern, Aoife C.; Timmins, Eadaoin M.; Winson, Michael K.; Kaderbhai, Naheed; Broadhurst, David; Taylor, Janet; et al. "Intelligent systems for the characterization and quantification of microbial systems from advanced analytical techniques". 1999.
  4. Goodacre, R.; Rooney, P.J.; Kell, D.B.. "Rapid analysis of microbial systems using vibrational spectroscopy and supervised learning methods: Application to the discrimination between methicillin-resistant and methicillin-susceptible Staphylococcus aureus". 1998.
    10.1117/12.306087
Journal article
  1. Cassio Lima; Howbeer Muhamadali; Yun Xu; Mustafa Kansiz; Royston Goodacre. "Imaging Isotopically Labeled Bacteria at the Single-Cell Level Using High-Resolution Optical Infrared Photothermal Spectroscopy". Analytical Chemistry 93 6 (2021): 3082-3088. https://doi.org/10.1021/acs.analchem.0c03967.
    10.1021/acs.analchem.0c03967
  2. Pouline M. P. van Oort; Iain R. White; Waqar Ahmed; Craig Johnson; Jonathan Bannard-Smith; Timothy Felton; Lieuwe D. Bos; et al. "Detection and quantification of exhaled volatile organic compounds in mechanically ventilated patients – comparison of two sampling methods". The Analyst (2021): https://doi.org/10.1039/C9AN01134J.
    10.1039/C9AN01134J
  3. Malama Chisanga; Howbeer Muhamadali; Danielle McDougall; Yun Xu; Nicholas Lockyer; Royston Goodacre. "Metabolism in action: stable isotope probing using vibrational spectroscopy and SIMS reveals kinetic and metabolic flux of key substrates". The Analyst (2021): https://doi.org/10.1039/D0AN02319A.
    10.1039/D0AN02319A
  4. Najla AlMasoud; Howbeer Muhamadali; Malama Chisanga; Haitham AlRabiah; Cassio A. Lima; Royston Goodacre. "Discrimination of bacteria using whole organism fingerprinting: the utility of modern physicochemical techniques for bacterial typing". The Analyst (2021): https://doi.org/10.1039/D0AN01482F.
    10.1039/D0AN01482F
  5. Howbeer Muhamadali; Kenneth Simoens; Yun Xu; Bart Nicolai; Kristel Bernaerts; Royston Goodacre. "Evaluation of Sample Preparation Methods for Inter-Laboratory Metabolomics Investigation of Streptomyces lividans TK24". Metabolites (2020): https://doi.org/10.3390/metabo10090379.
    10.3390/metabo10090379
  6. Bethan S. McAvan; Leo A. Bowsher; Thomas Powell; John F. O’Hara; Mariangela Spitali; Royston Goodacre; Andrew J. Doig. "Raman Spectroscopy to Monitor Post-Translational Modifications and Degradation in Monoclonal Antibody Therapeutics". Analytical Chemistry 92 15 (2020): 10381-10389. https://doi.org/10.1021/acs.analchem.0c00627.
    10.1021/acs.analchem.0c00627
  7. Waqar M Ahmed; Ruud J A Steenwelle; Hugo H Knobel; Alan Davie; Ron Steijvers; Fred Verhoeckx; Royston Goodacre; et al. "Development of a sensor device with polymer-coated piezoelectric micro-cantilevers for detection of volatile organic compounds". Measurement Science and Technology (2020): https://doi.org/10.1088/1361-6501/ab4f2f.
    10.1088/1361-6501/ab4f2f
  8. Annick Moing; James Allwood; Asaph Aharoni; John Baker; Michael H. Beale; Shifra Ben-Dor; Benoît Biais; et al. "Comparative Metabolomics and Molecular Phylogenetics of Melon (Cucumis melo, Cucurbitaceae) Biodiversity". Metabolites (2020): https://www.mdpi.com/2218-1989/10/3/121.
    10.3390/metabo10030121
  9. Bethan S. McAvan; Aidan P. France; Bruno Bellina; Perdita E. Barran; Royston Goodacre; Andrew J. Doig. "Quantification of protein glycation using vibrational spectroscopy". The Analyst (2020): https://doi.org/10.1039/C9AN02318F.
    10.1039/C9AN02318F
  10. Oihane E. Albóniga; Oskar González; Rosa M. Alonso; Yun Xu; Royston Goodacre. "Comparison of liver and plasma metabolic profiles in piglets of different ages as animal models for paediatric population". The Analyst (2020): https://doi.org/10.1039/D0AN00254B.
    10.1039/D0AN00254B
  11. Malama Chisanga; Dennis Linton; Howbeer Muhamadali; David I. Ellis; Richard L. Kimber; Aleksandr Mironov; Royston Goodacre. "Rapid differentiation of Campylobacter jejuni cell wall mutants using Raman spectroscopy, SERS and mass spectrometry combined with chemometrics". The Analyst (2020): https://doi.org/10.1039/C9AN02026H.
    10.1039/C9AN02026H
  12. Malama Chisanga; Howbeer Muhamadali; David Ellis; Royston Goodacre. "Enhancing Disease Diagnosis: Biomedical Applications of Surface-Enhanced Raman Scattering". Applied Sciences 9 6 (2019): 1163-1163. https://doi.org/10.3390/app9061163.
    10.3390/app9061163
  13. Pabudi Weerathunge; Rajesh Ramanathan; Valeria A. Torok; Kate Hodgson; Yun Xu; Royston Goodacre; Bijay Kumar Behera; Vipul Bansal. "Ultrasensitive Colorimetric Detection of Murine Norovirus Using NanoZyme Aptasensor". Analytical Chemistry 91 5 (2019): 3270-3276. https://doi.org/10.1021/acs.analchem.8b03300.
    10.1021/acs.analchem.8b03300
  14. Ekta Rani; Siti Akhtar Mohshim; Muhammad Zamharir Ahmad; Roy Goodacre; Shahrul Ainliah Alang Ahmad; Lu Shin Wong. "Polymer Pen Lithography-Fabricated DNA Arrays for Highly Sensitive and Selective Detection of Unamplified Ganoderma Boninense DNA". Polymers (2019): https://www.mdpi.com/2073-4360/11/3/561.
    10.3390/polym11030561
  15. J. William Allwood; Yun Xu; Pilar Martinez-Martin; Rapha¿lle Palau; Alexander Cowan; Royston Goodacre; Athole Marshall; Derek Stewart; Catherine Howarth. "Rapid UHPLC-MS metabolite profiling and phenotypic assays reveal genotypic impacts of nitrogen supplementation in oats". Metabolomics 15 3 (2019): https://doi.org/10.1007/s11306-019-1501-x.
    10.1007/s11306-019-1501-x
  16. J. William Allwood; Tomasz L. Woznicki; Yun Xu; Alexandre Foito; Kjersti Aaby; Julie Sungurtas; Sabine Freitag; et al. "Application of HPLC–PDA–MS metabolite profiling to investigate the effect of growth temperature and day length on blackcurrant fruit". Metabolomics 15 1 (2019): https://doi.org/10.1007/s11306-018-1462-5.
    10.1007/s11306-018-1462-5
  17. D. I. Ellis; H. Muhamadali; Y. Xu; R. Eccles; I. Goodall; R. Goodacre. "Rapid through-container detection of fake spirits and methanol quantification with handheld Raman spectroscopy". The Analyst (2019): https://doi.org/10.1039/C8AN01702F.
    10.1039/C8AN01702F
  18. Carlos Afonso; Mark P. Barrow; Antony N. Davies; Marc-André Delsuc; Timothy Ebbels; Francisco Fernandez-Lima; Caroline Gauchotte-Lindsay; et al. "Data mining and visualisation: general discussion". Faraday Discussions 218 (2019): 354-371. https://doi.org/10.1039/C9FD90044F.
    10.1039/C9FD90044F
  19. Elaine Adair; Carlos Afonso; Nicholle G. A. Bell; Antony N. Davies; Marc-André Delsuc; Ruth Godfrey; Royston Goodacre; et al. "High resolution techniques: general discussion". Faraday Discussions 218 (2019): 247-267. https://doi.org/10.1039/C9FD90045D.
    10.1039/C9FD90045D
  20. Paul I. C. Richardson; Howbeer Muhamadali; Yang Lei; Alexander P. Golovanov; David I. Ellis; Royston Goodacre. "Detection of the adulteration of fresh coconut water via NMR spectroscopy and chemometrics". The Analyst (2019): https://doi.org/10.1039/C8AN01964A.
    10.1039/C8AN01964A
  21. Royston Goodacre. "The blind men and the elephant: challenges in the analysis of complex natural mixtures". Faraday Discussions (2019): https://doi.org/10.1039/C9FD00074G.
    10.1039/C9FD00074G
  22. Carlos Afonso; Mark P. Barrow; Nicholle G. A. Bell; Antony N. Davies; Dumitru Duca; Cristian Focsa; Caroline Gauchotte-Lindsay; et al. "Dealing with complexity: general discussion". Faraday Discussions 218 (2019): 138-156. https://doi.org/10.1039/C9FD90055A.
    10.1039/C9FD90055A
  23. Carlos Afonso; Caroline Chaux; Antony N. Davies; Marc-André Delsuc; Francisco Fernandez Lima; Caroline Gauchotte-Lindsay; Pierre Giusti; et al. "Future challenges and new approaches: general discussion". Faraday Discussions 218 (2019): 505-523. https://doi.org/10.1039/C9FD90046B.
    10.1039/C9FD90046B
  24. Waqar M Ahmed; Paul Brinkman; Hans Weda; Hugo H Knobel; Yun Xu; Tamara M Nijsen; Royston Goodacre; et al. "Methodological considerations for large-scale breath analysis studies: lessons from the U-BIOPRED severe asthma project". Journal of Breath Research 13 1 (2018): 016001-016001. https://doi.org/10.1088/1752-7163/aae557.
    10.1088/1752-7163/aae557
  25. Yun Xu; Royston Goodacre. "On Splitting Training and Validation Set: A Comparative Study of Cross-Validation, Bootstrap and Systematic Sampling for Estimating the Generalization Performance of Supervised Learning". Journal of Analysis and Testing 2 3 (2018): 249-262. https://doi.org/10.1007/s41664-018-0068-2.
    10.1007/s41664-018-0068-2
  26. Malama Chisanga; Howbeer Muhamadali; David I. Ellis; Royston Goodacre. "Surface-Enhanced Raman Scattering (SERS) in Microbiology: Illumination and Enhancement of the Microbial World". Applied Spectroscopy 72 7 (2018): 987-1000. https://doi.org/10.1177/0003702818764672.
    10.1177/0003702818764672
  27. Haitham AlRabiah; Fernando Rodrigues-Lima; J. William Allwood; Elon Correa; Yun Xu; Royston Goodacre. "pH plays a role in the mode of action of trimethoprim on Escherichia coli". PLOS ONE (2018): https://doi.org/10.1371/journal.pone.0200272.
    10.1371/journal.pone.0200272
  28. Oluwasola Lawal; Hugo Knobel; Hans Weda; Tamara M. E. Nijsen; Royston Goodacre; Stephen J. Fowler. "TD/GC–MS analysis of volatile markers emitted from mono- and co-cultures of Enterobacter cloacae and Pseudomonas aeruginosa in artificial sputum". Metabolomics 14 5 (2018): https://doi.org/10.1007/s11306-018-1357-5.
    10.1007/s11306-018-1357-5
  29. Rosa Morra; Francesco Del Carratore; Howbeer Muhamadali; Luminita Gabriela Horga; Samantha Halliwell; Royston Goodacre; Rainer Breitling; Neil Dixon; Sang Yup Lee. "Translation Stress Positively Regulates MscL-Dependent Excretion of Cytoplasmic Proteins". mBio (2018): https://doi.org/10.1128/mBio.02118-17.
    10.1128/mBio.02118-17
  30. Mark H. Barley; Nicholas J. Turner; Royston Goodacre. "Improved Descriptors for the Quantitative Structure–Activity Relationship Modeling of Peptides and Proteins". Journal of Chemical Information and Modeling 58 2 (2018): 234-243. https://doi.org/10.1021/acs.jcim.7b00488.
    10.1021/acs.jcim.7b00488
  31. Oluwasola Lawal; Howbeer Muhamadali; Waqar M Ahmed; Iain R White; Tamara M E Nijsen; Royston Goodacre; Stephen J Fowler. "Headspace volatile organic compounds from bacteria implicated in ventilator-associated pneumonia analysed by TD-GC/MS". Journal of Breath Research 12 2 (2018): 026002-026002. https://doi.org/10.1088/1752-7163/aa8efc.
    10.1088/1752-7163/aa8efc
  32. Waqar M. Ahmed; Pavlos Geranios; Iain R. White; Oluwasola Lawal; Tamara M. Nijsen; Michael J. Bromley; Royston Goodacre; Nick D. Read; Stephen J. Fowler. "Development of an adaptable headspace sampling method for metabolic profiling of the fungal volatome". The Analyst (2018): https://doi.org/10.1039/C8AN00841H.
    10.1039/C8AN00841H
  33. Oluwasola Lawal; Hugo Knobel; Hans Weda; Lieuwe D. Bos; Tamara M. E. Nijsen; Royston Goodacre; Stephen J. Fowler. "Volatile organic compound signature from co-culture of lung epithelial cell line with Pseudomonas aeruginosa". The Analyst (2018): https://doi.org/10.1039/C8AN00759D.
    10.1039/C8AN00759D
  34. Matthew J. Baker; Hugh J. Byrne; John Chalmers; Peter Gardner; Royston Goodacre; Alex Henderson; Sergei G. Kazarian; et al. "Clinical applications of infrared and Raman spectroscopy: state of play and future challenges". The Analyst (2018): https://doi.org/10.1039/C7AN01871A.
    10.1039/C7AN01871A
  35. Hayleigh Kearns; Royston Goodacre; Lauren E. Jamieson; Duncan Graham; Karen Faulds. "SERS Detection of Multiple Antimicrobial-Resistant Pathogens Using Nanosensors". Analytical Chemistry 89 23 (2017): 12666-12673. https://doi.org/10.1021/acs.analchem.7b02653.
    10.1021/acs.analchem.7b02653
  36. David I. Ellis; Rebecca Eccles; Yun Xu; Julia Griffen; Howbeer Muhamadali; Pavel Matousek; Ian Goodall; Royston Goodacre. "Through-container, extremely low concentration detection of multiple chemical markers of counterfeit alcohol using a handheld SORS device". Scientific Reports (2017): https://doi.org/10.1038/s41598-017-12263-0.
    10.1038/s41598-017-12263-0
  37. Heidi Fisk; Yun Xu; Chloe Westley; Nicholas J. Turner; Jason Micklefield; Royston Goodacre. "From Multistep Enzyme Monitoring to Whole-Cell Biotransformations: Development of Real-Time Ultraviolet Resonance Raman Spectroscopy". Analytical Chemistry 89 22 (2017): 12527-12532. https://doi.org/10.1021/acs.analchem.7b03742.
    10.1021/acs.analchem.7b03742
  38. Waqar M. Ahmed; Oluwasola Lawal; Tamara M. Nijsen; Royston Goodacre; Stephen J. Fowler. "Exhaled Volatile Organic Compounds of Infection: A Systematic Review". ACS Infectious Diseases 3 10 (2017): 695-710. https://doi.org/10.1021/acsinfecdis.7b00088.
    10.1021/acsinfecdis.7b00088
  39. Thomas Driver; Drupad K. Trivedi; Owen A. McIntosh; Andrew P. Dean; Royston Goodacre; Jon K. Pittman. "Two Glycerol-3-Phosphate Dehydrogenases from Chlamydomonas Have Distinct Roles in Lipid Metabolism". Plant Physiology 174 4 (2017): 2083-2097. https://doi.org/10.1104/pp.17.00491.
    10.1104/pp.17.00491
  40. Abdu Subaihi; Drupad K. Trivedi; Katherine A. Hollywood; James Bluett; Yun Xu; Howbeer Muhamadali; David I. Ellis; Royston Goodacre. "Quantitative Online Liquid Chromatography–Surface-Enhanced Raman Scattering (LC-SERS) of Methotrexate and its Major Metabolites". Analytical Chemistry 89 12 (2017): 6702-6709. https://doi.org/10.1021/acs.analchem.7b00916.
    10.1021/acs.analchem.7b00916
  41. Mark H. Barley; Nicolas J. Turner; Royston Goodacre. "Recommendations on the Implementation of Genetic Algorithms for the Directed Evolution of Enzymes for Industrial Purposes". ChemBioChem 18 12 (2017): 1087-1097. https://doi.org/10.1002%2Fcbic.201700013.
    10.1002/cbic.201700013
  42. Chloe Westley; Heidi Fisk; Yun Xu; Katherine A. Hollywood; Andrew J. Carnell; Jason Micklefield; Nicholas J. Turner; Royston Goodacre. "Real-Time Monitoring of Enzyme-Catalysed Reactions using Deep UV Resonance Raman Spectroscopy". Chemistry - A European Journal 23 29 (2017): 6983-6987. https://doi.org/10.1002/chem.201701388.
    10.1002/chem.201701388
  43. Chloe Westley; Yun Xu; Baskaran Thilaganathan; Andrew J. Carnell; Nicholas J. Turner; Royston Goodacre. "Absolute Quantification of Uric Acid in Human Urine Using Surface Enhanced Raman Scattering with the Standard Addition Method". Analytical Chemistry 89 4 (2017): 2472-2477. https://doi.org/10.1021/acs.analchem.6b04588.
    10.1021/acs.analchem.6b04588
  44. Ashton, L.; Brewster, V.L.; Correa, E.; Goodacre, R.. "Detection of glycosylation and iron-binding protein modifications using Raman spectroscopy". Analyst 142 5 (2017): 808-814. http://www.scopus.com/inward/record.url?eid=2-s2.0-85014179554&partnerID=MN8TOARS.
    10.1039/c6an02516a
  45. Weber, R.J.M.; Lawson, T.N.; Salek, R.M.; Ebbels, T.M.D.; Glen, R.C.; Goodacre, R.; Griffin, J.L.; et al. "Computational tools and workflows in metabolomics: An international survey highlights the opportunity for harmonisation through Galaxy". Metabolomics 13 2 (2017): http://www.scopus.com/inward/record.url?eid=2-s2.0-85007135362&partnerID=MN8TOARS.
    10.1007/s11306-016-1147-x
  46. Eendebak, R.J.A.H.; Swiecicka, A.; Gromski, P.S.; Pye, S.R.; O'Neill, T.W.; Marshall, A.; Keevil, B.G.; et al. "Ethnic differences in male reproductive hormones and relationships with adiposity and insulin resistance in older men". Clinical Endocrinology 86 5 (2017): 660-668. http://www.scopus.com/inward/record.url?eid=2-s2.0-85014283125&partnerID=MN8TOARS.
    10.1111/cen.13305
  47. Abdu Subaihi; Howbeer Muhamadali; Shaun T. Mutter; Ewan Blanch; David I. Ellis; Royston Goodacre. "Quantitative detection of codeine in human plasma using surface-enhanced Raman scattering via adaptation of the isotopic labelling principle". The Analyst 142 7 (2017): 1099-1105. https://doi.org/10.1039/C7AN00193B.
    10.1039/C7AN00193B
  48. Malama Chisanga; Howbeer Muhamadali; Richard Kimber; Royston Goodacre. "Quantitative detection of isotopically enriched E. coli cells by SERS". Faraday Discussions (2017): https://doi.org/10.1039/C7FD00150A.
    10.1039/C7FD00150A
  49. Abdu Subaihi; Yun Xu; Howbeer Muhamadali; Shaun T. Mutter; Ewan W. Blanch; David I. Ellis; Royston Goodacre. "Towards improved quantitative analysis using surface-enhanced Raman scattering incorporating internal isotope labelling". Analytical Methods (2017): https://doi.org/10.1039/C7AY02527K.
    10.1039/C7AY02527K
  50. Samuel Mabbott; Yun Xu; Royston Goodacre. "Objective assessment of SERS thin films: comparison of silver on copper via galvanic displacement with commercially available fabricated substrates". Analytical Methods 9 33 (2017): 4783-4789. https://doi.org/10.1039/C7AY01584D.
    10.1039/C7AY01584D
  51. Lawal, O.; Ahmed, W.M.; Nijsen, T.M.E.; Goodacre, R.; Fowler, S.J.. "Exhaled breath analysis: a review of ‘breath-taking’ methods for off-line analysis". Metabolomics 13 10 (2017): http://www.scopus.com/inward/record.url?eid=2-s2.0-85027960421&partnerID=MN8TOARS.
    10.1007/s11306-017-1241-8
  52. Mullan, L.A.; Mularczyk, E.J.; Kung, L.H.; Forouhan, M.; Wragg, J.M.A.; Goodacre, R.; Bateman, J.F.; et al. "Increased intracellular proteolysis reduces disease severity in an ER stress-associated dwarfism". Journal of Clinical Investigation 127 10 (2017): 3861-3865. http://www.scopus.com/inward/record.url?eid=2-s2.0-85030527805&partnerID=MN8TOARS.
    10.1172/JCI93094
  53. Goodacre, R.; Kel, D.B.. "Commentary on "rapid identification of streptococcus and enterococcus species using diffuse reflectance-absorbance fourier transform infrared spectroscopy and artificial neural networks"". FEMS Microbiology Letters 364 10 (2017): 1-4. http://www.scopus.com/inward/record.url?eid=2-s2.0-85021289167&partnerID=MN8TOARS.
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    10.1016/j.tibtech.2004.03.007
  305. Jarvis, R.M.; Goodacre, R.. "Discrimination of Bacteria Using Surface-Enhanced Raman Spectroscopy". Analytical Chemistry 76 1 (2004): 40-47. http://www.scopus.com/inward/record.url?eid=2-s2.0-0346100346&partnerID=MN8TOARS.
    10.1021/ac034689c
  306. Goodacre, R.; López-Díez, E.C.; Jarvis, R.M.. "Enhancing Raman spectroscopy for the rapid characterisation of microorganisms". Microscopy and Microanalysis 10 SUPPL. 2 (2004): 1310-1311. http://www.scopus.com/inward/record.url?eid=2-s2.0-4544224947&partnerID=MN8TOARS.
    10.1017/S1431927604883946
  307. Jarvis, R.M.; Brooker, A.; Goodacre, R.. "Surface-enhanced Raman spectroscopy for bacterial discrimination utilizing a scanning electron microscope with a Raman spectroscopy interface". Analytical Chemistry 76 17 (2004): 5198-5202. http://www.scopus.com/inward/record.url?eid=2-s2.0-4444308598&partnerID=MN8TOARS.
    10.1021/ac049663f
  308. Winder, C.L.; Carr, E.; Goodacre, R.; Seviour, R.. "The rapid identification of Acinetobacter species using Fourier transform infrared spectroscopy". Journal of Applied Microbiology 96 2 (2004): 328-339. http://www.scopus.com/inward/record.url?eid=2-s2.0-1242276354&partnerID=MN8TOARS.
    10.1046/j.1365-2672.2003.02154.x
  309. Gwynn-Jones, D.; Huang, W.; Easton, G.; Goodacre, R.; Scullion, J.. "UV-B radiation induced changes in litter quality affects earthworm growth and cast characteristics as determined by metabolic fingerprinting". Pedobiologia 47 5-6 (2003): 784-787. http://www.scopus.com/inward/record.url?eid=2-s2.0-1642547099&partnerID=MN8TOARS.
  310. Scullion, J.; Goodacre, R.; Elliott, G.; Huang, W.; Worgan, H.; Gwynn-Jones, D.; Griffith, G.; et al. "Food quality and microbial succession in ageing earthworm casts: Standard microbial indices and metabolic fingerprinting". Pedobiologia 47 5-6 (2003): 888-894. http://www.scopus.com/inward/record.url?eid=2-s2.0-9144256051&partnerID=MN8TOARS.
  311. Kaderbhai, N.N.; Broadhurst, D.I.; Ellis, D.I.; Goodacre, R.; Kell, D.B.. "Functional genomics via metabolic footprinting: Monitoring metabolite secretion by Escherichia coli tryptophan metabolism mutants using FT-IR and direct injection electrospray mass spectrometry". Comparative and Functional Genomics 4 4 (2003): 376-391. http://www.scopus.com/inward/record.url?eid=2-s2.0-0043282812&partnerID=MN8TOARS.
    10.1002/cfg.302
  312. Goodacre, R.. "Explanatory analysis of spectroscopic data using machine learning of simple, interpretable rules". Vibrational Spectroscopy 32 1 SPEC. (2003): 33-45. http://www.scopus.com/inward/record.url?eid=2-s2.0-0041345720&partnerID=MN8TOARS.
    10.1016/S0924-2031(03)00045-6
  313. Vaidyanathan, S.; Broadhurst, D.I.; Kell, D.B.; Goodacre, R.. "Explanatory Optimization of Protein Mass Spectrometry via Genetic Search". Analytical Chemistry 75 23 (2003): 6679-6686. http://www.scopus.com/inward/record.url?eid=2-s2.0-0344305671&partnerID=MN8TOARS.
    10.1021/ac034669a
  314. López-Díez, E.C.; Bianchi, G.; Goodacre, R.. "Rapid quantitative assessment of the adulteration of virgin olive oils with hazelnut oils using Raman spectroscopy and chemometrics". Journal of Agricultural and Food Chemistry 51 21 (2003): 6145-6150. http://www.scopus.com/inward/record.url?eid=2-s2.0-10744224704&partnerID=MN8TOARS.
    10.1021/jf034493d
  315. Scullion, J.; Elliott, G.N.; Huang, W.E.; Goodacre, R.; Worgan, H.; Darby, R.; Bailey, M.J.; et al. "Use of earthworm casts to validate FT-IR spectroscopy as a 'sentinel' technology for high-throughput monitoring of global changes in microbial ecology". Pedobiologia 47 5-6 (2003): 440-446. http://www.scopus.com/inward/record.url?eid=2-s2.0-9144240427&partnerID=MN8TOARS.
  316. Gidman, E.; Goodacre, R.; Emmett, B.; Smith, A.R.; Gwynn-Jones, D.. "Investigating plant-plant interference by metabolic fingerprinting". Phytochemistry 63 6 (2003): 705-710. http://www.scopus.com/inward/record.url?eid=2-s2.0-0038016968&partnerID=MN8TOARS.
    10.1016/S0031-9422(03)00288-7
  317. Johnson, H.E.; Broadhurst, D.; Goodacre, R.; Smith, A.R.. "Metabolic fingerprinting of salt-stressed tomatoes". Phytochemistry 62 6 (2003): 919-928. http://www.scopus.com/inward/record.url?eid=2-s2.0-0037371953&partnerID=MN8TOARS.
    10.1016/S0031-9422(02)00722-7
  318. Goodacre, R.; York, E.V.; Heald, J.K.; Scott, I.M.. "Chemometric discrimination of unfractionated plant extracts analyzed by electrospray mass spectrometry". Phytochemistry 62 6 (2003): 859-863. http://www.scopus.com/inward/record.url?eid=2-s2.0-0037370292&partnerID=MN8TOARS.
    10.1016/S0031-9422(02)00718-5
  319. Goodacre, R.; Vaidyanathan, S.; Bianchi, G.; Kell, D.B.. "Metabolic profiling using direct infusion electrospray ionisation mass spectrometry for the characterisation of olive oils". Analyst 127 11 (2002): 1457-1462. http://www.scopus.com/inward/record.url?eid=2-s2.0-0036855391&partnerID=MN8TOARS.
    10.1039/b206037j
  320. McGovern, A.C.; Broadhurst, D.; Taylor, J.; Kaderbhai, N.; Winson, M.K.; Small, D.A.; Rowland, J.J.; Kell, D.B.; Goodacre, R.. "Monitoring of complex industrial bioprocesses for metabolite concentrations using modern spectroscopies and machine learning: Application to gibberellic acid production". Biotechnology and Bioengineering 78 5 (2002): 527-538. http://www.scopus.com/inward/record.url?eid=2-s2.0-0037023934&partnerID=MN8TOARS.
    10.1002/bit.10226
  321. Vaidyanathan, S.; Kell, D.B.; Goodacre, R.. "Flow-injection electrospray ionization mass spectrometry of crude cell extracts for high-throughput bacterial identification". Journal of the American Society for Mass Spectrometry 13 2 (2002): 118-128. http://www.scopus.com/inward/record.url?eid=2-s2.0-0036099407&partnerID=MN8TOARS.
    10.1016/S1044-0305(01)00339-7
  322. Kassama, Y.; Rooney, P.J.; Goodacre, R.. "Fluorescent amplified fragment length polymorphism probabilistic database for identification of bacterial isolates from urinary tract infections". Journal of Clinical Microbiology 40 8 (2002): 2795-2800. http://www.scopus.com/inward/record.url?eid=2-s2.0-0036701765&partnerID=MN8TOARS.
    10.1128/JCM.40.8.2795-2800.2002
  323. Vaidyanathan, S.; Winder, C.L.; Wade, S.C.; Kell, D.B.; Goodacre, R.. "Sample preparation in matrix-assisted laser desorption/ionization mass spectrometry of whole bacterial cells and the detection of high mass (>20 kDa) proteins". Rapid Communications in Mass Spectrometry 16 13 (2002): 1276-1286. http://www.scopus.com/inward/record.url?eid=2-s2.0-0035983389&partnerID=MN8TOARS.
    10.1002/rcm.713
  324. Goodacre, R.; Radovic, B.S.; Anklam, E.. "Progress toward the rapid nondestructive assessment of the floral origin of European honey using dispersive Raman spectroscopy". Applied Spectroscopy 56 4 (2002): 521-527. http://www.scopus.com/inward/record.url?eid=2-s2.0-0036530029&partnerID=MN8TOARS.
    10.1366/0003702021954980
  325. Ellis, D.I.; Broadhurst, D.; Kell, D.B.; Rowland, J.J.; Goodacre, R.. "Rapid and quantitative detection of the microbial spoilage of meat by fourier transform infrared spectroscopy and machine learning". Applied and Environmental Microbiology 68 6 (2002): 2822-2828. http://www.scopus.com/inward/record.url?eid=2-s2.0-0036269481&partnerID=MN8TOARS.
    10.1128/AEM.68.6.2822-2828.2002
  326. Radovic, B.S.; Goodacre, R.; Anklam, E.. "Contribution of pyrolysis-mass spectrometry (Py-MS) to authenticity testing of honey". Journal of Analytical and Applied Pyrolysis 60 1 (2001): 79-87. http://www.scopus.com/inward/record.url?eid=2-s2.0-0035371709&partnerID=MN8TOARS.
    10.1016/S0165-2370(00)00163-7
  327. Goodacre, R.; Anklam, E.. "Fourier transform infrared spectroscopy and chemometrics as a tool for the rapid detection of other vegetable fats mixed in cocoa butter". JAOCS, Journal of the American Oil Chemists' Society 78 10 (2001): 993-1000. http://www.scopus.com/inward/record.url?eid=2-s2.0-0035492843&partnerID=MN8TOARS.
  328. Ellis, D.I.; Goodacre, R.. "Rapid and quantitative detection of the microbial spoilage of muscle foods: Current status and future trends". Trends in Food Science and Technology 12 11 (2001): 414-424. http://www.scopus.com/inward/record.url?eid=2-s2.0-0035746611&partnerID=MN8TOARS.
    10.1016/S0924-2244(02)00019-5
  329. Schuster, K.C.; Goodacre, R.; Gapes, J.R.; Young, M.. "Degeneration of solventogenic Clostridium strains monitored by Fourier transform infrared spectroscopy of bacterial cells". Journal of Industrial Microbiology and Biotechnology 27 5 (2001): 314-321. http://www.scopus.com/inward/record.url?eid=2-s2.0-0035673399&partnerID=MN8TOARS.
    10.1038/sj.jim.7000146
  330. Vaidyanathan, S.; Rowland, J.J.; Kell, D.B.; Goodacre, R.. "Discrimination of aerobic endospore-forming bacteria via electrospray-ionization mass spectrometry of whole cell suspensions". Analytical Chemistry 73 17 (2001): 4134-4144. http://www.scopus.com/inward/record.url?eid=2-s2.0-0035449605&partnerID=MN8TOARS.
    10.1021/ac0103524
  331. Shaw, A.D.; Winson, M.K.; Woodward, A.M.; McGovern, A.C.; Davey, H.M.; Kaderbhai, N.; Broadhurst, D.; et al. "Rapid analysis of high-dimensional bioprocesses using multivariate spectroscopies and advanced chemometrics.". Advances in biochemical engineering/biotechnology 66 (2000): 83-113. http://www.scopus.com/inward/record.url?eid=2-s2.0-0033988734&partnerID=MN8TOARS.
  332. Goodacre, R.; Shann, B.; Gilbert, R.J.; Timmins, É.M.; McGovern, A.C.; Alsberg, B.K.; Kell, D.B.; Logan, N.A.. "Detection of the dipicolinic acid biomarker in Bacillus spores using curie-point pyrolysis mass spectrometry and fourier transform infrared spectroscopy". Analytical Chemistry 72 1 (2000): 119-127. http://www.scopus.com/inward/record.url?eid=2-s2.0-0033970940&partnerID=MN8TOARS.
    10.1021/ac990661i
  333. Thomas, N.; Goodacre, R.; Timmins, É.M.; Gaudoin, M.; Fleming, R.. "Fourier transform infrared spectroscopy of follicular fluids from large and small antral follicles". Human Reproduction 15 8 (2000): 1667-1671. http://www.scopus.com/inward/record.url?eid=2-s2.0-0033899862&partnerID=MN8TOARS.
  334. Goodacre, R.; Heald, J.K.; Kell, D.B.. "Characterisation of intact microorganisms using electrospray ionisation mass spectrometry". FEMS Microbiology Letters 176 1 (1999): 17-24. http://www.scopus.com/inward/record.url?eid=2-s2.0-0032766357&partnerID=MN8TOARS.
    10.1016/S0378-1097(99)00212-8
  335. McGovern, A.C.; Ernill, R.; Kara, B.V.; Kell, D.B.; Goodacre, R.. "Rapid analysis of the expression of heterologous proteins in Escherichia coli using pyrolysis mass spectrometry and Fourier transform infrared spectroscopy with chemometrics: application to a2-interferon production". Journal of Biotechnology 72 3 (1999): 157-168. http://www.scopus.com/inward/record.url?eid=2-s2.0-0033047595&partnerID=MN8TOARS.
    10.1016/S0168-1656(99)00128-5
  336. Goodacre, R.; Gilbert, R.J.. "The detection of caffeine in a variety of beverages using Curie-point pyrolysis mass spectrometry and genetic programming". Analyst 124 7 (1999): 1069-1074. http://www.scopus.com/inward/record.url?eid=2-s2.0-0032807738&partnerID=MN8TOARS.
    10.1039/a901062i
  337. Shaw, A.D.; Kaderbhai, N.; Jones, A.; Woodward, A.M.; Goodacre, R.; Rowland, J.J.; Kell, D.B.. "Noninvasive, on-line monitoring of the biotransformation by yeast of glucose to ethanol using dispersive Raman spectroscopy and chemometrics". Applied Spectroscopy 53 11 (1999): 1419-1428. http://www.scopus.com/inward/record.url?eid=2-s2.0-0033308906&partnerID=MN8TOARS.
  338. Alsberg, B.K.; Kell, D.B.; Goodacre, R.. "Variable Selection in Discriminant Partial Least-Squares Analysis". Analytical Chemistry 70 19 (1998): 4126-4133. http://www.scopus.com/inward/record.url?eid=2-s2.0-0000359679&partnerID=MN8TOARS.
  339. Goshawk, J.A.; Binding, D.M.; Kell, D.B.; Goodacre, R.. "Rheological phenomena occurring during the shearing flow of mayonnaise". Journal of Rheology 42 6 (1998): 1537-1553. http://www.scopus.com/inward/record.url?eid=2-s2.0-0001743483&partnerID=MN8TOARS.
  340. Taylor, J.; Goodacre, R.; Wade, W.G.; Rowland, J.J.; Kell, D.B.. "The deconvolution of pyrolysis mass spectra using genetic programming: Application to the identification of some Eubacterium species". FEMS Microbiology Letters 160 2 (1998): 237-246. http://www.scopus.com/inward/record.url?eid=2-s2.0-0032520811&partnerID=MN8TOARS.
    10.1016/S0378-1097(98)00038-X
  341. Timmins, É.M.; Quain, D.E.; Goodacre, R.. "Differentiation of brewing yeast strains by pyrolysis mass spectrometry and Fourier transform infrared spectroscopy". Yeast 14 10 (1998): 885-893. http://www.scopus.com/inward/record.url?eid=2-s2.0-0031815502&partnerID=MN8TOARS.
    10.1002/(SICI)1097-0061(199807)14:10<885::AID-YEA286>3.0.CO;2-G
  342. Goodacre, R.; Rooney, P.J.; Kell, D.B.. "Discrimination between methicillin-resistant and methicillin-susceptible Staphylococcus aureus using pyrolysis mass spectrometry and artificial neural networks". Journal of Antimicrobial Chemotherapy 41 1 (1998): 27-34. http://www.scopus.com/inward/record.url?eid=2-s2.0-0031931471&partnerID=MN8TOARS.
    10.1093/jac/41.1.27
  343. Alsberg, B.K.; Wade, W.G.; Goodacre, R.. "Chemometric analysis of diffuse reflectance-absorbance fourier transform infrared spectra using rule induction methods: Application to the classification of Eubacterium species". Applied Spectroscopy 52 6 (1998): 823-832. http://www.scopus.com/inward/record.url?eid=2-s2.0-0032098847&partnerID=MN8TOARS.
  344. Timmins, É.M.; Howell, S.A.; Alsberg, B.K.; Noble, W.C.; Goodacre, R.. "Rapid differentiation of closely related Candida species and strains by pyrolysis-mass spectrometry and Fourier transform-infrared spectroscopy". Journal of Clinical Microbiology 36 2 (1998): 367-374. http://www.scopus.com/inward/record.url?eid=2-s2.0-0031964328&partnerID=MN8TOARS.
  345. Goodacre, R.; Timmins, É.M.; Burton, R.; Kaderbhai, N.; Woodward, A.M.; Kell, D.B.; Rooney, P.J.. "Rapid identification of urinary tract infection bacteria using hyperspectral whole-organism fingerprinting and artificial neural networks". Microbiology 144 5 (1998): 1157-1170. http://www.scopus.com/inward/record.url?eid=2-s2.0-0031781727&partnerID=MN8TOARS.
  346. Broadhurst, D.; Goodacre, R.; Jones, A.; Rowland, J.J.; Kell, D.B.. "Genetic algorithms as a method for variable selection in multiple linear regression and partial least squares regression, with applications to pyrolysis mass spectrometry". Analytica Chimica Acta 348 1-3 (1997): 71-86. http://www.scopus.com/inward/record.url?eid=2-s2.0-0030859519&partnerID=MN8TOARS.
    10.1016/S0003-2670(97)00065-2
  347. Gilbert, R.J.; Goodacre, R.; Woodward, A.M.; Kell, D.B.. "Genetic Programming: A Novel Method for the Quantitative Analysis of Pyrolysis Mass Spectral Data". Analytical Chemistry 69 21 (1997): 4381-4389. http://www.scopus.com/inward/record.url?eid=2-s2.0-0000384929&partnerID=MN8TOARS.
  348. Salter, G.J.; Lazzari, M.; Giansante, L.; Goodacre, R.; Jones, A.; Surricchio, G.; Kella, D.B.; Blanchi, G.. "Determination of the geographical origin of Italian extra virgin olive oil using pyrolysis mass spectrometry and artificial neural networks". Journal of Analytical and Applied Pyrolysis 40-41 (1997): 159-170. http://www.scopus.com/inward/record.url?eid=2-s2.0-0031141809&partnerID=MN8TOARS.
  349. Winson, M.K.; Goodacre, R.; Timmins, E.M.; Jones, A.; Alsberg, B.K.; Woodward, A.M.; Rowland, J.J.; Kell, D.B.. "Diffuse reflectance absorbance spectroscopy taking in chemometrics (DRASTIC), A hyperspectral FT-IR-based approach to rapid screening for metabolite overproduction". Analytica Chimica Acta 348 1-3 (1997): 273-282. http://www.scopus.com/inward/record.url?eid=2-s2.0-0030952543&partnerID=MN8TOARS.
    10.1016/S0003-2670(97)00237-7
  350. Timmins, É.M.; Goodacre, R.. "Rapid quantitative analysis of binary mixtures of Escherichia coli strains using pyrolysis mass spectrometry with multivariate calibration and artificial neural networks". Journal of Applied Microbiology 83 2 (1997): 208-218. http://www.scopus.com/inward/record.url?eid=2-s2.0-0030744772&partnerID=MN8TOARS.
  351. Goodacre, R.. "Use of pyrolysis mass spectrometry with supervised learning for the assessment of the adulteration of milk of different species". Applied Spectroscopy 51 8 (1997): 1144-1153. http://www.scopus.com/inward/record.url?eid=2-s2.0-0031208033&partnerID=MN8TOARS.
  352. Goodacre, R.; Timmins, E.M.; Jones, A.; Kell, D.B.; Maddock, J.; Heginbothom, M.L.; Magee, J.T.. "On mass spectrometer instrument standardization and interlaboratory calibration transfer using neural networks". Analytica Chimica Acta 348 1-3 (1997): 511-532. http://www.scopus.com/inward/record.url?eid=2-s2.0-0030981682&partnerID=MN8TOARS.
    10.1016/S0003-2670(97)00062-7
  353. Goodacre, R.; Hammond, D.; Kell, D.B.. "Quantitative analysis of the adulteration of orange juice with sucrose using pyrolysis mass spectrometry and chemometrics". Journal of Analytical and Applied Pyrolysis 40-41 (1997): 135-158. http://www.scopus.com/inward/record.url?eid=2-s2.0-0031142807&partnerID=MN8TOARS.
  354. Goodacre, R.; Harvey, R.; Howell, S.A.; Greenham, L.W.; Noble, W.C.. "An epidemiological study of Staphylococcus intermedius strains isolated from dogs, their owners and veterinary surgeons". Journal of Analytical and Applied Pyrolysis 44 1 (1997): 49-64. http://www.scopus.com/inward/record.url?eid=2-s2.0-0031274808&partnerID=MN8TOARS.
  355. Alsberg, B.K.; Goodacre, R.; Rowland, J.J.; Kell, D.B.. "Classification of pyrolysis mass spectra by fuzzy multivariate rule induction-comparison with regression, K-nearest neighbour, neural and decision-tree methods". Analytica Chimica Acta 348 1-3 (1997): 389-407. http://www.scopus.com/inward/record.url?eid=2-s2.0-0030884306&partnerID=MN8TOARS.
    10.1016/S0003-2670(97)00064-0
  356. Goodacre, R.; Kell, D.B.. "Correction of mass spectral drift using artificial neural networks". Analytical Chemistry 68 2 (1996): 271-280. http://www.scopus.com/inward/record.url?eid=2-s2.0-0030583843&partnerID=MN8TOARS.
  357. Goodacre, R.; Hiom, S.J.; Cheeseman, S.L.; Murdoch, D.; Weightman, A.J.; Wade, W.G.. "Identification and discrimination of oral asaccharolytic Eubacterium spp. by Pyrolysis mass spectrometry and artificial neural networks". Current Microbiology 32 2 (1996): 77-84. http://www.scopus.com/inward/record.url?eid=2-s2.0-0030058833&partnerID=MN8TOARS.
    10.1007/s002849900014
  358. Goodacre, R.; Neal, M.J.; Kell, D.B.. "Quantitative analysis of multivariate data using artificial neural networks: A tutorial review and applications to the deconvolution of pyrolysis mass spectra". Zentralblatt fur Bakteriologie 284 4 (1996): 516-539. http://www.scopus.com/inward/record.url?eid=2-s2.0-0030221932&partnerID=MN8TOARS.
  359. Goodacre, R.; Rischert, D.J.; Evans, P.M.; Kell, D.B.. "Rapid authentication of animal cell lines using pyrolysis mass spectrometry and auto-associative artificial neural networks". Cytotechnology 21 3 (1996): 231-241. http://www.scopus.com/inward/record.url?eid=2-s2.0-0030463842&partnerID=MN8TOARS.
  360. Goodacre, R.; Pygall, J.; Kell, D.B.. "Plant seed classification using pyrolysis mass spectrometry with unsupervised learning: The application of auto-associative and Kohonen artificial neural networks". Chemometrics and Intelligent Laboratory Systems 34 1 (1996): 69-83. http://www.scopus.com/inward/record.url?eid=2-s2.0-0030221716&partnerID=MN8TOARS.
    10.1016/0169-7439(96)00021-4
  361. Goodacre, R.; Kell, D.B.. "Pyrolysis mass spectrometry and its applications in biotechnology". Current Opinion in Biotechnology 7 1 (1996): 20-28. http://www.scopus.com/inward/record.url?eid=2-s2.0-0030028909&partnerID=MN8TOARS.
    10.1016/S0958-1669(96)80090-5
  362. Goodacre, R.; Timmins, E.M.; Rooney, P.J.; Rowland, J.J.; Kell, D.B.. "Rapid identification of Streptococcus and Enterococcus species using diffuse relfectance-absorbance Fourier transform infrared spectroscopy and artificial neural networks". FEMS Microbiology Letters 140 2-3 (1996): 233-239. http://www.scopus.com/inward/record.url?eid=2-s2.0-0030199890&partnerID=MN8TOARS.
    10.1016/0378-1097(96)00186-3
  363. Goodacre, R.; Howell, S.A.; Nobee, W.C.; Neal, M.J.. "Sub-species discrimination, using pyrolysis mass spectrometry and self- organising neural networks, of Propionibacterium acnes isolated from normal human skin". Zentralblatt fur Bakteriologie 284 4 (1996): 501-515. http://www.scopus.com/inward/record.url?eid=2-s2.0-0030222050&partnerID=MN8TOARS.
  364. Manchester, L.N.; Toole, A.; Goodacre, R.. "Characterization of Carnobacterium species by pyrolysis mass spectrometry". Journal of Applied Bacteriology 78 1 (1995): 88-96. http://www.scopus.com/inward/record.url?eid=2-s2.0-0028959921&partnerID=MN8TOARS.
  365. Wilkinson, S.R.; Young, M.; Goodacre, R.; Morris, J.G.; Farrow, J.A.E.; Collins, M.D.. "Phenotypic and genotypic differences between certain strains of Clostridium acetobutylicum". FEMS Microbiology Letters 125 2-3 (1995): 199-204. http://www.scopus.com/inward/record.url?eid=2-s2.0-0028919318&partnerID=MN8TOARS.
    10.1016/0378-1097(94)00498-G
  366. Goodacre, R.; Trew, S.; Wrigley-Jones, C.; Saunders, G.; Neal, M.J.; Porter, N.; Kell, D.B.. "Rapid and quantitative analysis of metabolites in fermentor broths using pyrolysis mass spectrometry with supervised learning: application to the screening of Penicillium chrysogenum fermentations for the overproduction of penicillins". Analytica Chimica Acta 313 1-2 (1995): 25-43. http://www.scopus.com/inward/record.url?eid=2-s2.0-0029165985&partnerID=MN8TOARS.
    10.1016/0003-2670(95)00170-5
  367. Kay, H.E.; Coutinho, H.L.C.; Fattori, M.; Manfio, G.P.; Goodacre, R.; Nuti, M.P.; Basaglia, M.; Beringer, J.E.. "The identification of Bradyrhizobium japonicum strains isolated from Italian soils". Microbiology 140 9 (1994): 2333-2339. http://www.scopus.com/inward/record.url?eid=2-s2.0-0028123066&partnerID=MN8TOARS.
  368. Goodacre, R.; Trew, S.; Wrigley-Jones, C.; Neal, M.J.; Maddock, J.; Ottle, T.W.; Porter, N.; Kell, D.B.. "Rapid screening for metabolite overproduction in fermenter broths, using pyrolysis mass spectrometry with multivariate calibration and artificial neural networks". Biotechnology and Bioengineering 44 10 (1994): 1205-1216. http://www.scopus.com/inward/record.url?eid=2-s2.0-0028532762&partnerID=MN8TOARS.
    10.1002/bit.260441008
  369. Kell, D.B.; Goodacre, R.; Neal, M.J.. "The dogs that did not bark". Trends in Biotechnology 12 11 (1994): 434-435. http://www.scopus.com/inward/record.url?eid=2-s2.0-0028172604&partnerID=MN8TOARS.
    10.1016/0167-7799(94)90016-7
  370. Goodacre, R.; Neal, M.J.; Kell, D.B.. "Rapid and quantitative analysis of the pyrolysis mass spectra of complex binary and tertiary mixtures using multivariate calibration and artificial neural networks". Analytical Chemistry 66 7 (1994): 1070-1085. http://www.scopus.com/inward/record.url?eid=2-s2.0-0028408806&partnerID=MN8TOARS.
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Distinctions

Award

2021 Nils Foss Excellence Prize
2021 Mann Award for Applied Raman Spectroscopy
2021 Royal Society of Chemistry’s team Analytical Division Horizon Prize: Robert Boyle Prize for Analytical Science
2004 Royal Society of Chemistry’s Bioanalytical Chemistry Award

Title

2017 Fellow of Royal Society of Chemistry
2017 Fellow of the Learned Society of Wales
2016 Honorary Fellow of the Metabolomics Society
2015 Fellow of the Society for Applied Spectroscopy