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Results: 1 to 20 of 215

1.

Influence of missing values substitutes on multivariate analysis of metabolomics data.

Gromski PS, Xu Y, Kotze HL, Correa E, Ellis DI, Armitage EG, Turner ML, Goodacre R.

Metabolites. 2014 Jun 16;4(2):433-52. doi: 10.3390/metabo4020433.

PMID:
24957035
[PubMed]
Free PMC Article
2.

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

Gromski PS, Xu Y, Correa E, Ellis DI, Turner ML, Goodacre R.

Anal Chim Acta. 2014 Jun 4;829:1-8. doi: 10.1016/j.aca.2014.03.039. Epub 2014 Mar 31.

PMID:
24856395
[PubMed - in process]
3.

Multiple metabolomics of uropathogenic E. coli reveal different information content in terms of metabolic potential compared to virulence factors.

AlRabiah H, Xu Y, Rattray NJ, Vaughan AA, Gibreel T, Sayqal A, Upton M, Allwood JW, Goodacre R.

Analyst. 2014 May 20. [Epub ahead of print]

PMID:
24841677
[PubMed - as supplied by publisher]
4.

Electrochemical modulation of SERS at the liquid/liquid interface.

Booth SG, Cowcher DP, Goodacre R, Dryfe RA.

Chem Commun (Camb). 2014 May 4;50(34):4482-4. doi: 10.1039/c4cc00359d. Epub 2014 Mar 24.

PMID:
24664086
[PubMed - in process]
5.

Highly sensitive detection of nitroaromatic explosives at discrete nanowire arrays.

Barry S, Dawson K, Correa E, Goodacre R, O'Riordan A.

Faraday Discuss. 2013;164:283-93.

PMID:
24466670
[PubMed]
6.

Metabolomics in melon: a new opportunity for aroma analysis.

Allwood JW, Cheung W, Xu Y, Mumm R, De Vos RC, Deborde C, Biais B, Maucourt M, Berger Y, Schaffer AA, Rolin D, Moing A, Hall RD, Goodacre R.

Phytochemistry. 2014 Mar;99:61-72. doi: 10.1016/j.phytochem.2013.12.010. Epub 2014 Jan 10.

PMID:
24417788
[PubMed - in process]
7.

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

Kim DH, Allwood JW, Moore RE, Marsden-Edwards E, Dunn WB, Xu Y, Hampson L, Hampson IN, Goodacre R.

Mol Biosyst. 2014 Mar 4;10(3):398-411. doi: 10.1039/c3mb70423h. Epub 2014 Jan 10.

PMID:
24413339
[PubMed - in process]
8.

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

Dawson SE, Gibreel T, Nicolaou N, AlRabiah H, Xu Y, Goodacre R, Upton M.

Eur J Clin Microbiol Infect Dis. 2014 Jun;33(6):983-8. doi: 10.1007/s10096-013-2036-0. Epub 2014 Jan 8.

PMID:
24399364
[PubMed - in process]
9.

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

Kotze HL, Armitage EG, Sharkey KJ, Allwood JW, Dunn WB, Williams KJ, Goodacre R.

BMC Syst Biol. 2013 Oct 23;7:107. doi: 10.1186/1752-0509-7-107.

PMID:
24153255
[PubMed - in process]
Free PMC Article
10.

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

Salek RM, Steinbeck C, Viant MR, Goodacre R, Dunn WB.

Gigascience. 2013 Oct 16;2(1):13. doi: 10.1186/2047-217X-2-13.

PMID:
24131531
[PubMed]
Free PMC Article
11.

The challenge of applying Raman spectroscopy to monitor recombinant antibody production.

Ashton L, Xu Y, Brewster VL, Cowcher DP, Sellick CA, Dickson AJ, Stephens GM, Goodacre R.

Analyst. 2013 Nov 21;138(22):6977-85. doi: 10.1039/c3an01341c.

PMID:
24093128
[PubMed - in process]
12.

Raman activated cell ejection for isolation of single cells.

Wang Y, Ji Y, Wharfe ES, Meadows RS, March P, Goodacre R, Xu J, Huang WE.

Anal Chem. 2013 Nov 19;85(22):10697-701. doi: 10.1021/ac403107p. Epub 2013 Oct 28.

PMID:
24083399
[PubMed - indexed for MEDLINE]
13.

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

Kell DB, Goodacre R.

Drug Discov Today. 2014 Feb;19(2):171-82. doi: 10.1016/j.drudis.2013.07.014. Epub 2013 Jul 26.

PMID:
23892182
[PubMed - in process]
Free PMC Article
14.

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

Ellis DI, Cowcher DP, Ashton L, O'Hagan S, Goodacre R.

Analyst. 2013 Jul 21;138(14):3871-84. doi: 10.1039/c3an00698k. Epub 2013 May 31. Review.

PMID:
23722248
[PubMed - indexed for MEDLINE]
15.

Metabolomics and metabolite profiling.

Schuhmacher R, Krska R, Weckwerth W, Goodacre R.

Anal Bioanal Chem. 2013 Jun;405(15):5003-4. doi: 10.1007/s00216-013-6939-5. No abstract available.

PMID:
23591644
[PubMed - indexed for MEDLINE]
16.

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

Xu Y, Correa E, Goodacre R.

Anal Bioanal Chem. 2013 Jun;405(15):5063-74. doi: 10.1007/s00216-013-6884-3. Epub 2013 Mar 20.

PMID:
23512189
[PubMed - indexed for MEDLINE]
17.

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

Brewster VL, Ashton L, Goodacre R.

Anal Chem. 2013 Apr 2;85(7):3570-5. doi: 10.1021/ac303265q. Epub 2013 Mar 21.

PMID:
23463901
[PubMed - indexed for MEDLINE]
18.

Portable, quantitative detection of Bacillus bacterial spores using surface-enhanced Raman scattering.

Cowcher DP, Xu Y, Goodacre R.

Anal Chem. 2013 Mar 19;85(6):3297-302. doi: 10.1021/ac303657k. Epub 2013 Mar 1.

PMID:
23409961
[PubMed - indexed for MEDLINE]
19.

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

AlRabiah H, Correa E, Upton M, Goodacre R.

Analyst. 2013 Mar 7;138(5):1363-9. doi: 10.1039/c3an36517d.

PMID:
23325321
[PubMed - indexed for MEDLINE]
20.

Optimization of parameters for the quantitative surface-enhanced Raman scattering detection of mephedrone using a fractional factorial design and a portable Raman spectrometer.

Mabbott S, Correa E, Cowcher DP, Allwood JW, Goodacre R.

Anal Chem. 2013 Jan 15;85(2):923-31. doi: 10.1021/ac302542r. Epub 2012 Dec 19.

PMID:
23198960
[PubMed - indexed for MEDLINE]

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