2023
Valle, A., de la Calle, M. E., Muhamadali, H., Hollywood, K. A., Xu, Y., Lloyd, J. R., . . . Bolivar, J. (2023). Metabolomics of <i>Escherichia coli</i> for Disclosing Novel Metabolic Engineering Strategies for Enhancing Hydrogen and Ethanol Production. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 24(14). doi:10.3390/ijms241411619DOI: 10.3390/ijms241411619
AlMasoud, N., Alomar, T. S., Xu, Y., Lima, C., & Goodacre, R. (2023). Rapid detection and quantification of paracetamol and its major metabolites using surface enhanced Raman scattering. ANALYST, 148(8), 1805-1814. doi:10.1039/d3an00249gDOI: 10.1039/d3an00249g
Caixeta, D. C., Lima, C., Xu, Y., Guevara-Vega, M., Espindola, F. S., Goodacre, R., . . . Sabino-Silva, R. (2023). Monitoring glucose levels in urine using FTIR spectroscopy combined with univariate and multivariate statistical methods. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 290. doi:10.1016/j.saa.2022.122259DOI: 10.1016/j.saa.2022.122259
Shams, S., Lima, C., Xu, Y., Ahmed, S., Goodacre, R., & Muhamadali, H. (2023). Optical photothermal infrared spectroscopy: A novel solution for rapid identification of antimicrobial resistance at the single-cell level <i>via</i> deuterium isotope labeling. FRONTIERS IN MICROBIOLOGY, 14. doi:10.3389/fmicb.2023.1077106DOI: 10.3389/fmicb.2023.1077106
2022
Alomar, T. S., AlMasoud, N., Xu, Y., Lima, C., Akbali, B., Maher, S., & Goodacre, R. (n.d.). Simultaneous Multiplexed Quantification of Banned Sudan Dyes Using Surface Enhanced Raman Scattering and Chemometrics. Sensors, 22(20), 7832. doi:10.3390/s22207832DOI: 10.3390/s22207832
Valle, A., Soto, Z., Muhamadali, H., Hollywood, K. A., Xu, Y., Lloyd, J. R., . . . Bolivar, J. (2022). Metabolomics for the design of new metabolic engineering strategies for improving aerobic succinic acid production in <i>Escherichia coli</i>. METABOLOMICS, 18(8). doi:10.1007/s11306-022-01912-9DOI: 10.1007/s11306-022-01912-9
Lima, C., Ahmed, S., Xu, Y., Muhamadali, H., Parry, C., McGalliard, R. J., . . . Goodacre, R. (2022). Simultaneous Raman and infrared spectroscopy: a novel combination for studying bacterial infections at the single cell level. CHEMICAL SCIENCE. doi:10.1039/d2sc02493dDOI: 10.1039/d2sc02493d
Varnasseri, M., Xu, Y., & Goodacre, R. (2022). Rapid detection and quantification of the adulteration of orange juice with grapefruit juice using handheld Raman spectroscopy and multivariate analysis. ANALYTICAL METHODS. doi:10.1039/d2ay00219aDOI: 10.1039/d2ay00219a
Roberts, I., Muelas, M. W., Taylor, J. M., Davison, A. S., Xu, Y., Grixti, J. M., . . . Kell, D. B. (2022). Untargeted metabolomics of COVID-19 patient serum reveals potential prognostic markers of both severity and outcome. METABOLOMICS, 18(1). doi:10.1007/s11306-021-01859-3DOI: 10.1007/s11306-021-01859-3
Rapid spectroscopic liquid biopsy for the early detection of brain tumors. (Conference Paper)
Sala, A., Theakstone, A. G., Brennan, P. M., Jenkinson, M. D., Mills, S. J., Syed, K., . . . Baker, M. J. (2022). Rapid spectroscopic liquid biopsy for the early detection of brain tumors.. In CANCER RESEARCH Vol. 82. Retrieved from https://www.webofscience.com/
2021
Williams, A., Langridge, H., Straathof, A. L., Fox, G., Muhammadali, H., Hollywood, K. A., . . . de Vries, F. T. (2021). Comparing root exudate collection techniques: An improved hybrid method. SOIL BIOLOGY & BIOCHEMISTRY, 161. doi:10.1016/j.soilbio.2021.108391DOI: 10.1016/j.soilbio.2021.108391
Allwood, J. W., Martinez-Martin, P., Xu, Y., Cowan, A., Pont, S., Griffiths, I., . . . Howarth, C. (2021). Assessing the impact of nitrogen supplementation in oats across multiple growth locations and years with targeted phenotyping and high-resolution metabolite profiling approaches. FOOD CHEMISTRY, 355. doi:10.1016/j.foodchem.2021.129585DOI: 10.1016/j.foodchem.2021.129585
Varnasseri, M., Muhamadali, H., Xu, Y., Richardson, P. I. C., Byrd, N., Ellis, D. I., . . . Goodacre, R. (2021). Portable through Bottle SORS for the Authentication of Extra Virgin Olive Oil. APPLIED SCIENCES-BASEL, 11(18). doi:10.3390/app11188347DOI: 10.3390/app11188347
Theakstone, A. G., Brennan, P. M., Jenkinson, M. D., Mills, S. J., Syed, K., Rinaldi, C., . . . Baker, M. J. (n.d.). Rapid Spectroscopic Liquid Biopsy for the Universal Detection of Brain Tumours. Cancers, 13(15), 3851. doi:10.3390/cancers13153851DOI: 10.3390/cancers13153851
Lima, C., Muhamadali, H., Xu, Y., Kansiz, M., & Goodacre, R. (2021). Imaging Isotopically Labeled Bacteria at the Single-Cell Level Using High-Resolution Optical Infrared Photothermal Spectroscopy.. Analytical chemistry. doi:10.1021/acs.analchem.0c03967DOI: 10.1021/acs.analchem.0c03967
Chisanga, M., Muhamadali, H., Mcdougall, D., Xu, Y., Lockyer, N., & Goodacre, R. (2021). Metabolism in action: stable isotope probing using vibrational spectroscopy and SIMS reveals kinetic and metabolic flux of key substrates. The Analyst. doi:10.1039/d0an02319aDOI: 10.1039/d0an02319a
2020
Ventura, G., Calvano, C. D., Porcelli, V., Palmieri, L., De Giacomo, A., Xu, Y., . . . Cataldi, T. R. I. (2020). Phospholipidomics of peripheral blood mononuclear cells (PBMCs): the tricky case of children with autism spectrum disorder (ASD) and their healthy siblings. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 412(25), 6859-6874. doi:10.1007/s00216-020-02817-zDOI: 10.1007/s00216-020-02817-z
Muhamadali, H., Simoens, K., Xu, Y., Nicolai, B., Bernaerts, K., & Goodacre, R. (2020). Evaluation of Sample Preparation Methods for Inter-Laboratory Metabolomics Investigation of <i>Streptomyces lividans</i> TK24. METABOLITES, 10(9). doi:10.3390/metabo10090379DOI: 10.3390/metabo10090379
Albóniga, O. E., González, O., Alonso, R. M., Xu, Y., & Goodacre, R. (2020). Comparison of liver and plasma metabolic profiles in piglets of different ages as animal models for paediatric population.. The Analyst. doi:10.1039/d0an00254bDOI: 10.1039/d0an00254b
Alboniga, O. E., Gonzalez, O., Alonso, R. M., Xu, Y., & Goodacre, R. (2020). Optimization of XCMS parameters for LC-MS metabolomics: an assessment of automated versus manual tuning and its effect on the final results. METABOLOMICS, 16(1). doi:10.1007/s11306-020-1636-9DOI: 10.1007/s11306-020-1636-9
Ashrafi, M., Xu, Y., Muhamadali, H., White, I., Wilkinson, M., Hollywood, K., . . . Bayat, A. (2020). A microbiome and metabolomic signature of phases of cutaneous healing identified by profiling sequential acute wounds of human skin: An exploratory study. PLOS ONE, 15(2). doi:10.1371/journal.pone.0229545DOI: 10.1371/journal.pone.0229545
2019
Uawisetwathana, U., Chevallier, O. P., Xu, Y., Kamolsukyeunyong, W., Nookaew, I., Somboon, T., . . . Karoonuthaisiri, N. (2019). Global metabolite profiles of rice brown planthopper-resistant traits reveal potential secondary metabolites for both constitutive and inducible defenses. METABOLOMICS, 15(12). doi:10.1007/s11306-019-1616-0DOI: 10.1007/s11306-019-1616-0
Rattray, N. J. W., Trivedi, D. K., Xu, Y., Chandola, T., Johnson, C. H., Marshall, A. D., . . . Goodacre, R. (2019). Metabolic dysregulation in vitamin E and carnitine shuttle energy mechanisms associate with human frailty. NATURE COMMUNICATIONS, 10. doi:10.1038/s41467-019-12716-2DOI: 10.1038/s41467-019-12716-2
Trivedi, D. K., Sinclair, E., Xu, Y., Sarkar, D., Walton-Doyle, C., Liscio, C., . . . Barran, P. (2019). Discovery of Volatile Biomarkers of Parkinson's Disease from Sebum. ACS CENTRAL SCIENCE, 5(4), 599-606. doi:10.1021/acscentsci.8b00879DOI: 10.1021/acscentsci.8b00879
Allwood, J. W., Xu, Y., Martinez-Martin, P., Palau, R., Cowan, A., Goodacre, R., . . . Howarth, C. (2019). Rapid UHPLC-MS metabolite profiling and phenotypic assays reveal genotypic impacts of nitrogen supplementation in oats. METABOLOMICS, 15(3). doi:10.1007/s11306-019-1501-xDOI: 10.1007/s11306-019-1501-x
Weerathunge, P., Ramanathan, R., Torok, V. A., Hodgson, K., Xu, Y., Goodacre, R., . . . Bansal, V. (2019). Ultrasensitive Colorimetric Detection of Murine Norovirus Using NanoZyme Aptasensor. ANALYTICAL CHEMISTRY, 91(5), 3270-3276. doi:10.1021/acs.analchem.8b03300DOI: 10.1021/acs.analchem.8b03300
Allwood, J. W., Woznicki, T. L., Xu, Y., Foito, A., Aaby, K., Sungurtas, J., . . . Sonsteby, A. (2019). Application of HPLC-PDA-MS metabolite profiling to investigate the effect of growth temperature and day length on blackcurrant fruit. METABOLOMICS, 15(1). doi:10.1007/s11306-018-1462-5DOI: 10.1007/s11306-018-1462-5
A MICROBIOME AND METABOLOMIC SIGNATURE OF PHASES OF CUTANEOUS HEALING IDENTIFIED BY PROFILING SEQUENTIAL ACUTE WOUNDS OF HUMAN SKIN (Conference Paper)
Ashrafi, M., Xu, Y., Muhamadali, H., White, I., Wilkinson, M., Holloywood, K., . . . Bayat, A. (2019). A MICROBIOME AND METABOLOMIC SIGNATURE OF PHASES OF CUTANEOUS HEALING IDENTIFIED BY PROFILING SEQUENTIAL ACUTE WOUNDS OF HUMAN SKIN. In WOUND REPAIR AND REGENERATION Vol. 27 (pp. A8). Retrieved from https://www.webofscience.com/
Ahmed, W. M., Brinkman, P., Weda, H., Knobel, H. H., Xu, Y., Nijsen, T. M., . . . Grp, U. -B. I. O. P. R. E. D. S. (2019). Methodological considerations for large-scale breath analysis studies: lessons from the U-BIOPRED severe asthma project. JOURNAL OF BREATH RESEARCH, 13(1). doi:10.1088/1752-7163/aae557DOI: 10.1088/1752-7163/aae557
Goodacre, R. (n.d.). Rapid Detection and Quantification of Novel Psychoactive Substances (NPS) Using Raman Spectroscopy and Surface-Enhanced Raman Scattering. Frontiers in Chemistry. doi:10.3389/fchem.2019.00412DOI: 10.3389/fchem.2019.00412
2018
Ellis, D. I., Muhamadali, H., Xu, Y., Eccles, R., Goodall, I., & Goodacre, R. (2018). Rapid through-container detection of fake spirits and methanol quantification with handheld Raman spectroscopy. ANALYST, 144(1), 324-330. doi:10.1039/c8an01702fDOI: 10.1039/c8an01702f
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 article)
Xu, Y., & Goodacre, R. (2018). On Splitting Training and Validation Set: A Comparative Study of Cross-Validation, Bootstrap and Systematic Sampling for Estimating the Generalization Performance of Supervised Learning. JOURNAL OF ANALYSIS AND TESTING, 2(3), 249-262. doi:10.1007/s41664-018-0068-2DOI: 10.1007/s41664-018-0068-2
pH plays a role in the mode of action of trimethoprim on <i>Escherichia coli</i> (Journal article)
AlRabiah, H., Allwood, J. W., Correa, E., Xu, Y., & Goodacre, R. (2018). pH plays a role in the mode of action of trimethoprim on <i>Escherichia coli</i>. PLOS ONE, 13(7). doi:10.1371/journal.pone.0200272DOI: 10.1371/journal.pone.0200272
2017
Towards improved quantitative analysis using surface-enhanced Raman scattering incorporating internal isotope labelling (Journal article)
Subaihi, A., Xu, Y., Muhamadali, H., Mutter, S. T., Blanch, E. W., Ellis, D. I., & Goodacre, R. (2017). Towards improved quantitative analysis using surface-enhanced Raman scattering incorporating internal isotope labelling. ANALYTICAL METHODS, 9(47), 6636-6644. doi:10.1039/c7ay02527kDOI: 10.1039/c7ay02527k
From Multistep Enzyme Monitoring to Whole-Cell Biotransformations: Development of Real-Time Ultraviolet Resonance Raman Spectroscopy (Journal article)
Fisk, H., Xu, Y., Westley, C., Turner, N. J., Micklefield, J., & Goodacre, R. (2017). From Multistep Enzyme Monitoring to Whole-Cell Biotransformations: Development of Real-Time Ultraviolet Resonance Raman Spectroscopy. ANALYTICAL CHEMISTRY, 89(22), 12527-12532. doi:10.1021/acs.analchem.7b03742DOI: 10.1021/acs.analchem.7b03742
Ellis, D. I., Eccles, R., Xu, Y., Griffen, J., Muhamadali, H., Matousek, P., . . . Goodacre, R. (2017). Through-container, extremely low concentration detection of multiple chemical markers of counterfeit alcohol using a handheld SORS device. SCIENTIFIC REPORTS, 7. doi:10.1038/s41598-017-12263-0DOI: 10.1038/s41598-017-12263-0
Objective assessment of SERS thin films: comparison of silver on copper via galvanic displacement with commercially available fabricated substrates (Journal article)
Mabbott, S., Xu, Y., & Goodacre, R. (2017). Objective assessment of SERS thin films: comparison of silver on copper via galvanic displacement with commercially available fabricated substrates. ANALYTICAL METHODS, 9(33), 4783-4789. doi:10.1039/c7ay01584dDOI: 10.1039/c7ay01584d
Quantitative Online Liquid Chromatography Surface-Enhanced Raman Scattering (LC-SERS) of Methotrexate and its Major Metabolites (Journal article)
Subaihi, A., Trivedi, D. K., Hollywood, K. A., Bluett, J., Xu, Y., Muhamadali, H., . . . Goodacre, R. (2017). Quantitative Online Liquid Chromatography Surface-Enhanced Raman Scattering (LC-SERS) of Methotrexate and its Major Metabolites. ANALYTICAL CHEMISTRY, 89(12), 6702-6709. doi:10.1021/acs.analchem.7b00916DOI: 10.1021/acs.analchem.7b00916
Probing the action of a novel anti-leukaemic drug therapy at the single cell level using modern vibrational spectroscopy techniques (Journal article)
Denbigh, J. L., Perez-Guaita, D., Vernooij, R. R., Tobin, M. J., Bambery, K. R., Xu, Y., . . . Wood, B. R. (2017). Probing the action of a novel anti-leukaemic drug therapy at the single cell level using modern vibrational spectroscopy techniques. SCIENTIFIC REPORTS, 7. doi:10.1038/s41598-017-02069-5DOI: 10.1038/s41598-017-02069-5
Westley, C., Fisk, H., Xu, Y., Hollywood, K. A., Carnell, A. J., Micklefield, J., . . . Goodacre, R. (2017). Real‐Time Monitoring of Enzyme‐Catalysed Reactions using Deep UV Resonance Raman Spectroscopy. Chemistry: A European Journal, 23(29), 6983-6987. doi:10.1002/chem.201701388DOI: 10.1002/chem.201701388
Westley, C., Xu, Y., Thilaganathan, B., Carnell, A. J., Turner, N. J., & Goodacre, R. (2017). Absolute Quantification of Uric Acid in Human Urine Using Surface Enhanced Raman Scattering with the Standard Addition Method. Analytical Chemistry, 89(4), 2472-2477. doi:10.1021/acs.analchem.6b04588DOI: 10.1021/acs.analchem.6b04588
2016
Rapid, Accurate, and Quantitative Detection of Propranolol in Multiple Human Biofluids via Surface-Enhanced Raman Scattering (Journal article)
Subaihi, A., Almanqur, L., Muhamadali, H., AlMasoud, N., Ellis, D. I., Trivedi, D. K., . . . Goodacre, R. (2016). Rapid, Accurate, and Quantitative Detection of Propranolol in Multiple Human Biofluids via Surface-Enhanced Raman Scattering. ANALYTICAL CHEMISTRY, 88(22), 10884-10892. doi:10.1021/acs.analchem.6b02041DOI: 10.1021/acs.analchem.6b02041
Rapid discrimination of <i>Enterococcus faecium</i> strains using phenotypic analytical techniques (Journal article)
AlMasoud, N., Xu, Y., Ellis, D. I., Rooney, P., Turton, J. F., & Goodacre, R. (2016). Rapid discrimination of <i>Enterococcus faecium</i> strains using phenotypic analytical techniques. ANALYTICAL METHODS, 8(42), 7603-7613. doi:10.1039/c6ay02326fDOI: 10.1039/c6ay02326f
Classification of <i>Bacillus</i> and <i>Brevibacillus</i> species using rapid analysis of lipids by mass spectrometry (Journal article)
AlMasoud, N., Xu, Y., Trivedi, D. K., Salivo, S., Abban, T., Rattray, N. J. W., . . . Goodacre, R. (2016). Classification of <i>Bacillus</i> and <i>Brevibacillus</i> species using rapid analysis of lipids by mass spectrometry. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 408(27), 7865-7878. doi:10.1007/s00216-016-9890-4DOI: 10.1007/s00216-016-9890-4
Partial Least Squares with Structured Output for Modelling the Metabolomics Data Obtained from Complex Experimental Designs: A Study into the Y-Block Coding (Journal article)
Xu, Y., Muhamadali, H., Sayqal, A., Dixon, N., & Goodacre, R. (2016). Partial Least Squares with Structured Output for Modelling the Metabolomics Data Obtained from Complex Experimental Designs: A Study into the Y-Block Coding. METABOLITES, 6(4). doi:10.3390/metabo6040038DOI: 10.3390/metabo6040038
Rapid, accurate, and comparative differentiation of clinically and industrially relevant microorganisms <i>via</i> multiple vibrational spectroscopic fingerprinting (Journal article)
Muhamadali, H., Subaihi, A., Mohammadtaheri, M., Xu, Y., Ellis, D. I., Ramanathan, R., . . . Goodacre, R. (2016). Rapid, accurate, and comparative differentiation of clinically and industrially relevant microorganisms <i>via</i> multiple vibrational spectroscopic fingerprinting. ANALYST, 141(17), 5127-5136. doi:10.1039/c6an00883fDOI: 10.1039/c6an00883f
Rapid, high-throughput, and quantitative determination of orange juice adulteration by Fourier-transform infrared spectroscopy (Journal article)
Ellis, D. I., Ellis, J., Muhamadali, H., Xu, Y., Horn, A. B., & Goodacre, R. (2016). Rapid, high-throughput, and quantitative determination of orange juice adulteration by Fourier-transform infrared spectroscopy. ANALYTICAL METHODS, 8(28), 5581-5586. doi:10.1039/c6ay01480aDOI: 10.1039/c6ay01480a
Metabolic analysis of the response of <i>Pseudomonas putida</i> DOT-T1E strains to toluene using Fourier transform infrared spectroscopy and gas chromatography mass spectrometry (Journal article)
Sayqal, A., Xu, Y., Trivedi, D. K., AlMasoud, N., Ellis, D. I., Muhamadali, H., . . . Goodacre, R. (2016). Metabolic analysis of the response of <i>Pseudomonas putida</i> DOT-T1E strains to toluene using Fourier transform infrared spectroscopy and gas chromatography mass spectrometry. METABOLOMICS, 12(7). doi:10.1007/s11306-016-1054-1DOI: 10.1007/s11306-016-1054-1
Label-Free Surface Enhanced Raman Scattering Approach for High-Throughput Screening of Biocatalysts (Journal article)
Westley, C., Xu, Y., Carnell, A. J., Turner, N. J., & Goodacre, R. (2016). Label-Free Surface Enhanced Raman Scattering Approach for High-Throughput Screening of Biocatalysts. Analytical Chemistry, 88(11), 5898-5903. doi:10.1021/acs.analchem.6b00813DOI: 10.1021/acs.analchem.6b00813
Metabolomics Analysis Reveals the Participation of Efflux Pumps and Ornithine in the Response of <i>Pseudomonas putida</i> DOT-T1E Cells to Challenge with Propranolol (Journal article)
Sayqal, A., Xu, Y., Trivedi, D. K., AlMasoud, N., Ellis, D. I., Rattray, N. J. W., & Goodacre, R. (2016). Metabolomics Analysis Reveals the Participation of Efflux Pumps and Ornithine in the Response of <i>Pseudomonas putida</i> DOT-T1E Cells to Challenge with Propranolol. PLOS ONE, 11(6). doi:10.1371/journal.pone.0156509DOI: 10.1371/journal.pone.0156509
Intermittent energy restriction induces changes in breast gene expression and systemic metabolism (Journal article)
Harvie, M. N., Sims, A. H., Pegington, M., Spence, K., Mitchell, A., Vaughan, A. A., . . . Howell, A. (2016). Intermittent energy restriction induces changes in breast gene expression and systemic metabolism. BREAST CANCER RESEARCH, 18. doi:10.1186/s13058-016-0714-4DOI: 10.1186/s13058-016-0714-4
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 (Journal article)
Harrigan, G. G., Venkatesh, T. V., Leibman, M., Blankenship, J., Perez, T., Halls, S., . . . Goodacre, R. (2016). Evaluation of metabolomics profiles of grain from maize hybrids derived from near-isogenic GM positive and negative segregant inbreds demonstrates that observed differences cannot be attributed unequivocally to the GM trait. METABOLOMICS, 12(5). doi:10.1007/s11306-016-1017-6DOI: 10.1007/s11306-016-1017-6
Metabolic Fingerprinting of <i>Pseudomonas putida</i> DOT-T1E Strains: Understanding the Influence of Divalent Cations in Adaptation Mechanisms Following Exposure to Toluene (Journal article)
Sayqal, A., Xu, Y., Trivedi, D. K., AlMasoud, N., Ellis, D. I., & Goodacre, R. (2016). Metabolic Fingerprinting of <i>Pseudomonas putida</i> DOT-T1E Strains: Understanding the Influence of Divalent Cations in Adaptation Mechanisms Following Exposure to Toluene. METABOLITES, 6(2). doi:10.3390/metabo6020014DOI: 10.3390/metabo6020014
Metabolomic analysis of riboswitch containing <i>E-coli</i> recombinant expression system (Journal article)
Muhamadali, H., Xu, Y., Morra, R., Trivedi, D. K., Rattray, N. J. W., Dixon, N., & Goodacre, R. (2016). Metabolomic analysis of riboswitch containing <i>E-coli</i> recombinant expression system. MOLECULAR BIOSYSTEMS, 12(2), 350-361. doi:10.1039/c5mb00624dDOI: 10.1039/c5mb00624d
2015
Simultaneous multiplexed quantification of caffeine and its major metabolites theobromine and paraxanthine using surface-enhanced Raman scattering (Journal article)
Alharbi, O., Xu, Y., & Goodacre, R. (2015). Simultaneous multiplexed quantification of caffeine and its major metabolites theobromine and paraxanthine using surface-enhanced Raman scattering. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 407(27), 8253-8261. doi:10.1007/s00216-015-9004-8DOI: 10.1007/s00216-015-9004-8
Metabolomics investigation of recombinant mTNFα production in <i>Streptomyces lividans</i> (Journal article)
Muhamadali, H., Xu, Y., Ellis, D. I., Trivedi, D. K., Rattray, N. J. W., Bernaerts, K., & Goodacre, R. (2015). Metabolomics investigation of recombinant mTNFα production in <i>Streptomyces lividans</i>. MICROBIAL CELL FACTORIES, 14. doi:10.1186/s12934-015-0350-1DOI: 10.1186/s12934-015-0350-1
Detection and quantification of the opioid tramadol in urine using surface enhanced Raman scattering (Journal article)
Alharbi, O., Xu, Y., & Goodacre, R. (2015). Detection and quantification of the opioid tramadol in urine using surface enhanced Raman scattering. ANALYST, 140(17), 5965-5970. doi:10.1039/c5an01177aDOI: 10.1039/c5an01177a
Acclimation of metabolism to light in <i>Arabidopsis thaliana</i>: the glucose 6-phosphate/phosphate translocator GPT2 directs metabolic acclimation (Journal article)
Dyson, B. C., Allwood, J. W., Feil, R., Xu, Y., Miller, M., Bowsher, C. G., . . . Johnson, G. N. (2015). Acclimation of metabolism to light in <i>Arabidopsis thaliana</i>: the glucose 6-phosphate/phosphate translocator GPT2 directs metabolic acclimation. PLANT CELL AND ENVIRONMENT, 38(7), 1404-1417. doi:10.1111/pce.12495DOI: 10.1111/pce.12495
Phenotypic Characterisation of <i>Shewanella oneidensis</i> MR-1 Exposed to X-Radiation (Journal article)
Brown, A. R., Correa, E., Xu, Y., AlMasoud, N., Pimblott, S. M., Goodacre, R., & Lloyd, J. R. (2015). Phenotypic Characterisation of <i>Shewanella oneidensis</i> MR-1 Exposed to X-Radiation. PLOS ONE, 10(6). doi:10.1371/journal.pone.0131249DOI: 10.1371/journal.pone.0131249
A tutorial review: Metabolomics and partial least squares-discriminant analysis - a marriage of convenience or a shotgun wedding (Journal article)
Gromski, P. S., Muhamadali, H., Ellis, D. I., Xu, Y., Correa, E., Turner, M. L., & Goodacre, R. (2015). A tutorial review: Metabolomics and partial least squares-discriminant analysis - a marriage of convenience or a shotgun wedding. ANALYTICA CHIMICA ACTA, 879, 10-23. doi:10.1016/j.aca.2015.02.012DOI: 10.1016/j.aca.2015.02.012
The influence of scaling metabolomics data on model classification accuracy (Journal article)
Gromski, P. S., Xu, Y., Hollywood, K. A., Turner, M. L., & Goodacre, R. (2015). The influence of scaling metabolomics data on model classification accuracy. METABOLOMICS, 11(3), 684-695. doi:10.1007/s11306-014-0738-7DOI: 10.1007/s11306-014-0738-7
Exploring the mode of action of dithranol therapy for psoriasis: a metabolomic analysis using HaCaT cells (Journal article)
Hollywood, K. A., Winder, C. L., Dunn, W. B., Xu, Y., Broadhurst, D., Griffiths, C. E. M., & Goodacre, R. (2015). Exploring the mode of action of dithranol therapy for psoriasis: a metabolomic analysis using HaCaT cells. MOLECULAR BIOSYSTEMS, 11(8), 2198-2209. doi:10.1039/c4mb00739eDOI: 10.1039/c4mb00739e
Metabolic Profiling of <i>Geobacter sulfurreducens</i> during Industrial Bioprocess Scale-Up (Journal article)
Muhamadali, H., Xu, Y., Ellis, D. I., Allwood, J. W., Rattray, N. J. W., Correa, E., . . . Goodacre, R. (2015). Metabolic Profiling of <i>Geobacter sulfurreducens</i> during Industrial Bioprocess Scale-Up. APPLIED AND ENVIRONMENTAL MICROBIOLOGY, 81(10), 3288-3298. doi:10.1128/AEM.00294-15DOI: 10.1128/AEM.00294-15
A workflow for bacterial metabolic fingerprinting and lipid profiling: application to Ciprofloxacin challenged <i>Escherichia coli</i> (Journal article)
Allwood, J. W., AlRabiah, H., Correa, E., Vaughan, A., Xu, Y., Upton, M., & Goodacre, R. (2015). A workflow for bacterial metabolic fingerprinting and lipid profiling: application to Ciprofloxacin challenged <i>Escherichia coli</i>. METABOLOMICS, 11(2), 438-453. doi:10.1007/s11306-014-0674-6DOI: 10.1007/s11306-014-0674-6
Surveillance for lower airway pathogens in mechanically ventilated patients by metabolomic analysis of exhaled breath: a case-control study (Journal article)
Fowler, S. J., Basanta-Sanchez, M., Xu, Y., Goodacre, R., & Dark, P. M. (2015). Surveillance for lower airway pathogens in mechanically ventilated patients by metabolomic analysis of exhaled breath: a case-control study. THORAX, 70(4), 320-325. doi:10.1136/thoraxjnl-2014-206273DOI: 10.1136/thoraxjnl-2014-206273
Profiling of spatial metabolite distributions in wheat leaves under normal and nitrate limiting conditions (Journal article)
Allwood, J. W., Chandra, S., Xu, Y., Dunn, W. B., Correa, E., Hopkins, L., . . . Bowsher, C. G. (2015). Profiling of spatial metabolite distributions in wheat leaves under normal and nitrate limiting conditions. PHYTOCHEMISTRY, 115, 99-111. doi:10.1016/j.phytochem.2015.01.007DOI: 10.1016/j.phytochem.2015.01.007
2014
Simultaneous multiplexed quantification of nicotine and its metabolites using surface enhanced Raman scattering (Journal article)
Alharbi, O., Xu, Y., & Goodacre, R. (2014). Simultaneous multiplexed quantification of nicotine and its metabolites using surface enhanced Raman scattering. ANALYST, 139(19), 4820-4827. doi:10.1039/c4an00879kDOI: 10.1039/c4an00879k
Compositional Equivalence of Grain from Multi-trait Drought-Tolerant Maize Hybrids to a Conventional Comparator: Univariate and Multivariate Assessments (Journal article)
Xu, Y., Goodacre, R., & Harrigan, G. G. (2014). Compositional Equivalence of Grain from Multi-trait Drought-Tolerant Maize Hybrids to a Conventional Comparator: Univariate and Multivariate Assessments. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, 62(39), 9597-9608. doi:10.1021/jf5019609DOI: 10.1021/jf5019609
Multiple metabolomics of uropathogenic <i>E-coli</i> reveal different information content in terms of metabolic potential compared to virulence factors (Journal article)
AlRabiah, H., Xu, Y., Rattray, N. J. W., Vaughan, A. A., Gibreel, T., Sayqal, A., . . . Goodacre, R. (2014). Multiple metabolomics of uropathogenic <i>E-coli</i> reveal different information content in terms of metabolic potential compared to virulence factors. ANALYST, 139(17), 4193-4199. doi:10.1039/c4an00176aDOI: 10.1039/c4an00176a
Optimization of matrix assisted desorption/ionization time of flight mass spectrometry (MALDI-TOF-MS) for the characterization of <i>Bacillus</i> and <i>Brevibacillus</i> species (Journal article)
AlMasoud, N., Xu, Y., Nicolaou, N., & Goodacre, R. (2014). Optimization of matrix assisted desorption/ionization time of flight mass spectrometry (MALDI-TOF-MS) for the characterization of <i>Bacillus</i> and <i>Brevibacillus</i> species. ANALYTICA CHIMICA ACTA, 840, 49-57. doi:10.1016/j.aca.2014.06.032DOI: 10.1016/j.aca.2014.06.032
A comparative investigation of modern feature selection and classification approaches for the analysis of mass spectrometry data (Journal article)
Gromski, P. S., Xu, Y., Correa, E., Ellis, D. I., Turner, M. L., & Goodacre, R. (2014). A comparative investigation of modern feature selection and classification approaches for the analysis of mass spectrometry data. ANALYTICA CHIMICA ACTA, 829, 1-8. doi:10.1016/j.aca.2014.03.039DOI: 10.1016/j.aca.2014.03.039
A metabolomics investigation into the effects of HIV protease inhibitors on HPV16 E6 expressing cervical carcinoma cells (Journal article)
Kim, D. -H., Allwood, J. W., Moore, R. E., Marsden-Edwards, E., Dunn, W. B., Xu, Y., . . . Goodacre, R. (2014). A metabolomics investigation into the effects of HIV protease inhibitors on HPV16 E6 expressing cervical carcinoma cells. MOLECULAR BIOSYSTEMS, 10(3), 398-411. doi:10.1039/c3mb70423hDOI: 10.1039/c3mb70423h
Metabolomics in melon: A new opportunity for aroma analysis (Journal article)
Allwood, J. W., Cheung, W., Xu, Y., Mumm, R., De Vos, R. C. H., Deborde, C., . . . Goodacre, R. (2014). Metabolomics in melon: A new opportunity for aroma analysis. PHYTOCHEMISTRY, 99, 61-72. doi:10.1016/j.phytochem.2013.12.010DOI: 10.1016/j.phytochem.2013.12.010
Chemometrics models for overcoming high between subject variability: applications in clinical metabolic profiling studies (Journal article)
Xu, Y., Fowler, S. J., Bayat, A., & Goodacre, R. (2014). Chemometrics models for overcoming high between subject variability: applications in clinical metabolic profiling studies. METABOLOMICS, 10(3), 375-385. doi:10.1007/s11306-013-0616-8DOI: 10.1007/s11306-013-0616-8
Implementation of Fourier transform infrared spectroscopy for the rapid typing of uropathogenic <i>Escherichia coli</i> (Journal article)
Dawson, S. E., Gibreel, T., Nicolaou, N., AlRabiah, H., Xu, Y., Goodacre, R., & Upton, M. (2014). Implementation of Fourier transform infrared spectroscopy for the rapid typing of uropathogenic <i>Escherichia coli</i>. EUROPEAN JOURNAL OF CLINICAL MICROBIOLOGY & INFECTIOUS DISEASES, 33(6), 983-988. doi:10.1007/s10096-013-2036-0DOI: 10.1007/s10096-013-2036-0
2013
The challenge of applying Raman spectroscopy to monitor recombinant antibody production (Journal article)
Ashton, L., Xu, Y., Brewster, V. L., Cowcher, D. P., Sellick, C. A., Dickson, A. J., . . . Goodacre, R. (2013). The challenge of applying Raman spectroscopy to monitor recombinant antibody production. ANALYST, 138(22), 6977-6985. doi:10.1039/c3an01341cDOI: 10.1039/c3an01341c
Integrating multiple analytical platforms and chemometrics for comprehensive metabolic profiling: application to meat spoilage detection (Journal article)
Xu, Y., Correa, E., & Goodacre, R. (2013). Integrating multiple analytical platforms and chemometrics for comprehensive metabolic profiling: application to meat spoilage detection. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 405(15), 5063-5074. doi:10.1007/s00216-013-6884-3DOI: 10.1007/s00216-013-6884-3
Portable, Quantitative Detection of <i>Bacillus</i> Bacterial Spores Using Surface-Enhanced Raman Scattering (Journal article)
Cowcher, D. P., Xu, Y., & Goodacre, R. (2013). Portable, Quantitative Detection of <i>Bacillus</i> Bacterial Spores Using Surface-Enhanced Raman Scattering. ANALYTICAL CHEMISTRY, 85(6), 3297-3302. doi:10.1021/ac303657kDOI: 10.1021/ac303657k
A comparison of Raman and FT-IR spectroscopy for the prediction of meat spoilage (Journal article)
Argyri, A. A., Jarvis, R. M., Wedge, D., Xu, Y., Panagou, E. Z., Goodacre, R., & Nychas, G. -J. E. (2013). A comparison of Raman and FT-IR spectroscopy for the prediction of meat spoilage. FOOD CONTROL, 29(2), 461-470. doi:10.1016/j.foodcont.2012.05.040DOI: 10.1016/j.foodcont.2012.05.040
Breath Analysis On The Intensive Care Unit: Screening Invasively Ventilated Patients For Lower Respiratory Tract Pathogens (Conference Paper)
Fowler, S. J., Xu, Y., Basanta, M., Goodacre, R., & Dark, P. (2013). Breath Analysis On The Intensive Care Unit: Screening Invasively Ventilated Patients For Lower Respiratory Tract Pathogens. In AMERICAN JOURNAL OF RESPIRATORY AND CRITICAL CARE MEDICINE Vol. 187. Retrieved from https://www.webofscience.com/
2012
Dupuytren's disease metabolite analyses reveals alterations following initial short-term fibroblast culturing (Journal article)
Rehman, S., Xu, Y., Dunn, W. B., Day, P. J. R., Westerhoff, H. V., Goodacre, R., & Bayat, A. (2012). Dupuytren's disease metabolite analyses reveals alterations following initial short-term fibroblast culturing. MOLECULAR BIOSYSTEMS, 8(9), 2274-2288. doi:10.1039/c2mb25173fDOI: 10.1039/c2mb25173f
Detection and Quantification of Bacterial Spoilage in Milk and Pork Meat Using MALDI-TOF-MS and Multivariate Analysis (Journal article)
Nicolaou, N., Xu, Y., & Goodacre, R. (2012). Detection and Quantification of Bacterial Spoilage in Milk and Pork Meat Using MALDI-TOF-MS and Multivariate Analysis. ANALYTICAL CHEMISTRY, 84(14), 5951-5958. doi:10.1021/ac300582dDOI: 10.1021/ac300582d
The optimisation of facile substrates for surface enhanced Raman scattering through galvanic replacement of silver onto copper (Journal article)
Mabbott, S., Larmour, I. A., Vishnyakov, V., Xu, Y., Graham, D., & Goodacre, R. (2012). The optimisation of facile substrates for surface enhanced Raman scattering through galvanic replacement of silver onto copper. ANALYST, 137(12), 2791-2798. doi:10.1039/c2an35323gDOI: 10.1039/c2an35323g
Multiblock principal component analysis: an efficient tool for analyzing metabolomics data which contain two influential factors (Journal article)
Xu, Y., & Goodacre, R. (2012). Multiblock principal component analysis: an efficient tool for analyzing metabolomics data which contain two influential factors. METABOLOMICS, 8(1), S37-S51. doi:10.1007/s11306-011-0361-9DOI: 10.1007/s11306-011-0361-9
2011
Fourier Transform Infrared and Raman Spectroscopies for the Rapid Detection, Enumeration, and Growth Interaction of the Bacteria <i>Staphylococcus aureus</i> and <i>Lactococcus lactis</i> ssp <i>cremoris</i> in Milk (Journal article)
Nicolaou, N., Xu, Y., & Goodacre, R. (2011). Fourier Transform Infrared and Raman Spectroscopies for the Rapid Detection, Enumeration, and Growth Interaction of the Bacteria <i>Staphylococcus aureus</i> and <i>Lactococcus lactis</i> ssp <i>cremoris</i> in Milk. ANALYTICAL CHEMISTRY, 83(14), 5681-5687. doi:10.1021/ac2008256DOI: 10.1021/ac2008256
MALDI-MS and multivariate analysis for the detection and quantification of different milk species (Journal article)
Nicolaou, N., Xu, Y., & Goodacre, R. (2011). MALDI-MS and multivariate analysis for the detection and quantification of different milk species. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 399(10), 3491-3502. doi:10.1007/s00216-011-4728-6DOI: 10.1007/s00216-011-4728-6
Metabolic profiling of meat: assessment of pork hygiene and contamination with <i>Salmonella typhimurium</i> (Journal article)
Xu, Y., Cheung, W., Winder, C. L., Dunn, W. B., & Goodacre, R. (2011). Metabolic profiling of meat: assessment of pork hygiene and contamination with <i>Salmonella typhimurium</i>. ANALYST, 136(3), 508-514. doi:10.1039/c0an00394hDOI: 10.1039/c0an00394h
2010
Analysis of Volatile Organic Compounds in Human Saliva by a Static Sorptive Extraction Method and Gas Chromatography-Mass Spectrometry (Journal article)
Soini, H. A., Klouckova, I., Wiesler, D., Oberzaucher, E., Grammer, K., Dixon, S. J., . . . Novotny, M. V. (2010). Analysis of Volatile Organic Compounds in Human Saliva by a Static Sorptive Extraction Method and Gas Chromatography-Mass Spectrometry. JOURNAL OF CHEMICAL ECOLOGY, 36(9), 1035-1042. doi:10.1007/s10886-010-9846-7DOI: 10.1007/s10886-010-9846-7
Novel noninvasive identification of biomarkers by analytical profiling of chronic wounds using volatile organic compounds (Journal article)
Thomas, A. N., Riazanskaia, S., Cheung, W., Xu, Y., Goodacre, R., Thomas, C. L. P., . . . Bayat, A. (2010). Novel noninvasive identification of biomarkers by analytical profiling of chronic wounds using volatile organic compounds. WOUND REPAIR AND REGENERATION, 18(4), 391-400. doi:10.1111/j.1524-475X.2010.00592.xDOI: 10.1111/j.1524-475X.2010.00592.x
VOC-based metabolic profiling for food spoilage detection with the application to detecting Salmonella typhimurium-contaminated pork (Journal article)
Xu, Y., Cheung, W., Winder, C. L., & Goodacre, R. (2010). VOC-based metabolic profiling for food spoilage detection with the application to detecting Salmonella typhimurium-contaminated pork. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 397(6), 2439-2449. doi:10.1007/s00216-010-3771-zDOI: 10.1007/s00216-010-3771-z
Quantitative Analysis of the Banned Food Dye Sudan-1 Using Surface Enhanced Raman Scattering with Multivariate Chemometrics (Journal article)
Cheung, W., Shadi, I. T., Xu, Y., & Goodacre, R. (2010). Quantitative Analysis of the Banned Food Dye Sudan-1 Using Surface Enhanced Raman Scattering with Multivariate Chemometrics. JOURNAL OF PHYSICAL CHEMISTRY C, 114(16), 7285-7290. doi:10.1021/jp908892nDOI: 10.1021/jp908892n
Assessment of adaptive focused acoustics <i>versus</i> manual vortex/freeze-thaw for intracellular metabolite extraction from <i>Streptomyces lividans</i> producing recombinant proteins using GC-MS and multi-block principal component analysis (Journal article)
Kassama, Y., Xu, Y., Dunn, W. B., Geukens, N., Anne, J., & Goodacre, R. (2010). Assessment of adaptive focused acoustics <i>versus</i> manual vortex/freeze-thaw for intracellular metabolite extraction from <i>Streptomyces lividans</i> producing recombinant proteins using GC-MS and multi-block principal component analysis. ANALYST, 135(5), 934-942. doi:10.1039/b918163fDOI: 10.1039/b918163f
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 (Journal article)
Kim, D. -H., Jarvis, R. M., Xu, Y., Oliver, A. W., Allwood, J. W., Hampson, L., . . . Goodacre, R. (2010). Combining metabolic fingerprinting and footprinting to understand the phenotypic response of HPV16 E6 expressing cervical carcinoma cells exposed to the HIV anti-viral drug lopinavir. ANALYST, 135(6), 1235-1244. doi:10.1039/b923046gDOI: 10.1039/b923046g
Fourier transform infrared spectroscopy and multivariate analysis for the detection and quantification of different milk species (Journal article)
Nicolaou, N., Xu, Y., & Goodacre, R. (2010). Fourier transform infrared spectroscopy and multivariate analysis for the detection and quantification of different milk species. JOURNAL OF DAIRY SCIENCE, 93(12), 5651-5660. doi:10.3168/jds.2010-3619DOI: 10.3168/jds.2010-3619
Non-invasive metabolomic analysis of breath using differential mobility spectrometry in patients with chronic obstructive pulmonary disease and healthy smokers (Journal article)
Basanta, M., Jarvis, R. M., Xu, Y., Blackburn, G., Tal-Singer, R., Woodcock, A., . . . Fowler, S. J. (2010). Non-invasive metabolomic analysis of breath using differential mobility spectrometry in patients with chronic obstructive pulmonary disease and healthy smokers. ANALYST, 135(2), 315-320. doi:10.1039/b916374cDOI: 10.1039/b916374c
2009
<SUP>1</SUP>H NMR, GC-EI-TOFMS, and Data Set Correlation for Fruit Metabolomics: Application to Spatial Metabolite Analysis in Melon (Journal article)
Biais, B., Allwood, J. W., Deborde, C., Xu, Y., Maucourt, M., Beauvoit, B., . . . Moing, A. (2009). <SUP>1</SUP>H NMR, GC-EI-TOFMS, and Data Set Correlation for Fruit Metabolomics: Application to Spatial Metabolite Analysis in Melon. ANALYTICAL CHEMISTRY, 81(8), 2884-2894. doi:10.1021/ac9001996DOI: 10.1021/ac9001996
Consensus multivariate methods in gas chromatography mass spectrometry and denaturing gradient gel electrophoresis: MHC-congenic and other strains of mice can be classified according to the profiles of volatiles and microflora in their scent-marks (Journal article)
Zomer, S., Dixon, S. J., Xu, Y., Jensen, S. P., Wang, H., Lanyon, C. V., . . . Brereton, R. G. (2009). Consensus multivariate methods in gas chromatography mass spectrometry and denaturing gradient gel electrophoresis: MHC-congenic and other strains of mice can be classified according to the profiles of volatiles and microflora in their scent-marks. ANALYST, 134(1), 114-123. doi:10.1039/b807061jDOI: 10.1039/b807061j
2007
Comparison of human axillary odour profiles obtained by gas chromatography/mass spectrometry and skin microbial profiles obtained by denaturing gradient gel electrophoresis using multivariate pattern recognition (Journal article)
Xu, Y., Dixon, S. J., Brereton, R. G., Soini, H. A., Novotny, M. V., Trebesius, K., . . . Penn, D. J. (2007). Comparison of human axillary odour profiles obtained by gas chromatography/mass spectrometry and skin microbial profiles obtained by denaturing gradient gel electrophoresis using multivariate pattern recognition. METABOLOMICS, 3(4), 427-437. doi:10.1007/s11306-007-0054-6DOI: 10.1007/s11306-007-0054-6
Application of dissimilarity indices, principal coordinates analysis, and rank tests to peak tables in metabolomics of the gas chromatography/mass spectrometry of human sweat (Journal article)
Xu, Y., Gong, F., Dixon, S. J., Brereton, R. G., Soini, H. A., Novotny, M. V., . . . Penn, D. J. (2007). Application of dissimilarity indices, principal coordinates analysis, and rank tests to peak tables in metabolomics of the gas chromatography/mass spectrometry of human sweat. ANALYTICAL CHEMISTRY, 79(15), 5633-5641. doi:10.1021/ac070134wDOI: 10.1021/ac070134w
Pattern recognition of gas chromatography mass spectrometry of human volatiles in sweat to distinguish the sex of subjects and determine potential discriminatory marker peaks (Journal article)
Dixon, S. J., Xu, Y., Brereton, R. G., Soini, H. A., Novotny, M. V., Oberzaucher, E., . . . Penn, D. J. (2007). Pattern recognition of gas chromatography mass spectrometry of human volatiles in sweat to distinguish the sex of subjects and determine potential discriminatory marker peaks. CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 87(2), 161-172. doi:10.1016/j.chemolab.2006.12.004DOI: 10.1016/j.chemolab.2006.12.004
Automated single-nucleotide polymorphism analysis using fluorescence excitation-emission spectroscopy and one-class classifiers (Journal article)
Xu, Y., & Brereton, R. G. (2007). Automated single-nucleotide polymorphism analysis using fluorescence excitation-emission spectroscopy and one-class classifiers. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 388(3), 655-664. doi:10.1007/s00216-007-1256-5DOI: 10.1007/s00216-007-1256-5
Individual and gender fingerprints in human body odour (Journal article)
Penn, D. J., Oberzaucher, E., Grammer, K., Fischer, G., Soini, H. A., Wiesler, D., . . . Brereton, R. G. (2007). Individual and gender fingerprints in human body odour. JOURNAL OF THE ROYAL SOCIETY INTERFACE, 4(13), 331-340. doi:10.1098/rsif.2006.0182DOI: 10.1098/rsif.2006.0182
A fuzzy distance metric for measuring the dissimilarity of planar chromatographic profiles with application to denaturing gradient gel electrophoresis data from human skin microbes: demonstration of an individual and gender-based fingerprint (Journal article)
Xu, Y., Brereton, R. G., Trebesius, K., Bergmaier, I., Oberzaucher, E., Grammer, K., & Penn, D. J. (2007). A fuzzy distance metric for measuring the dissimilarity of planar chromatographic profiles with application to denaturing gradient gel electrophoresis data from human skin microbes: demonstration of an individual and gender-based fingerprint. ANALYST, 132(7), 638-646. doi:10.1039/b702410jDOI: 10.1039/b702410j
2006
Support Vector Machines: A recent method for classification in chemometrics (Journal article)
Xu, Y., Zomer, S., & Brereton, R. G. (2006). Support Vector Machines: A recent method for classification in chemometrics. CRITICAL REVIEWS IN ANALYTICAL CHEMISTRY, 36(3-4), 177-188. doi:10.1080/10408340600969486DOI: 10.1080/10408340600969486
2005
Diagnostic pattern recognition on gene-expression profile data by using one-class classification (Journal article)
Xu, Y., & Brereton, R. G. (2005). Diagnostic pattern recognition on gene-expression profile data by using one-class classification. JOURNAL OF CHEMICAL INFORMATION AND MODELING, 45(5), 1392-1401. doi:10.1021/ci049726vDOI: 10.1021/ci049726v
A comparative study of cluster validation indices applied to genotyping data (Journal article)
Xu, Y., & Brereton, R. G. (2005). A comparative study of cluster validation indices applied to genotyping data. CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 78(1-2), 30-40. doi:10.1016/j.chemolab.2004.12.003DOI: 10.1016/j.chemolab.2004.12.003