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Combining NMR and LC/MS Using Backward Variable Elimination: Metabolomics Analysis of Colorectal Cancer, Polyps, and Healthy Controls.

Deng L, Gu H, Zhu J, Nagana Gowda GA, Djukovic D, Chiorean EG, Raftery D.

Anal Chem. 2016 Aug 16;88(16):7975-83. doi: 10.1021/acs.analchem.6b00885. Epub 2016 Aug 1.


Translational Metabolomics of Head Injury: Exploring Dysfunctional Cerebral Metabolism with Ex Vivo NMR Spectroscopy-Based Metabolite Quantification.

Wolahan SM, Hirt D, Glenn TC.

In: Kobeissy FH, editor. Brain Neurotrauma: Molecular, Neuropsychological, and Rehabilitation Aspects. Boca Raton (FL): CRC Press/Taylor & Francis; 2015. Chapter 25.


Reduced levels of hydroxylated, polyunsaturated ultra long-chain fatty acids in the serum of colorectal cancer patients: implications for early screening and detection.

Ritchie SA, Ahiahonu PW, Jayasinghe D, Heath D, Liu J, Lu Y, Jin W, Kavianpour A, Yamazaki Y, Khan AM, Hossain M, Su-Myat KK, Wood PL, Krenitsky K, Takemasa I, Miyake M, Sekimoto M, Monden M, Matsubara H, Nomura F, Goodenowe DB.

BMC Med. 2010 Feb 15;8:13. doi: 10.1186/1741-7015-8-13.


Principal component directed partial least squares analysis for combining nuclear magnetic resonance and mass spectrometry data in metabolomics: application to the detection of breast cancer.

Gu H, Pan Z, Xi B, Asiago V, Musselman B, Raftery D.

Anal Chim Acta. 2011 Feb 7;686(1-2):57-63. doi: 10.1016/j.aca.2010.11.040. Epub 2010 Nov 26.


The combination of four analytical methods to explore skeletal muscle metabolomics: Better coverage of metabolic pathways or a marketing argument?

Bruno C, Patin F, Bocca C, Nadal-Desbarats L, Bonnier F, Reynier P, Emond P, Vourc'h P, Joseph-Delafont K, Corcia P, Andres CR, Blasco H.

J Pharm Biomed Anal. 2018 Jan 30;148:273-279. doi: 10.1016/j.jpba.2017.10.013. Epub 2017 Oct 18.


Colorectal Cancer Detection Using Targeted LC-MS Metabolic Profiling.

Djukovic D, Zhang J, Raftery D.

Methods Mol Biol. 2018;1765:229-240. doi: 10.1007/978-1-4939-7765-9_15.


A quantitative multimodal metabolomic assay for colorectal cancer.

Farshidfar F, Kopciuk KA, Hilsden R, McGregor SE, Mazurak VC, Buie WD, MacLean A, Vogel HJ, Bathe OF.

BMC Cancer. 2018 Jan 4;18(1):26. doi: 10.1186/s12885-017-3923-z.


Metabolic signatures of esophageal cancer: NMR-based metabolomics and UHPLC-based focused metabolomics of blood serum.

Zhang X, Xu L, Shen J, Cao B, Cheng T, Zhao T, Liu X, Zhang H.

Biochim Biophys Acta. 2013 Aug;1832(8):1207-16. doi: 10.1016/j.bbadis.2013.03.009. Epub 2013 Mar 20.


Metabolic profiling of human colorectal cancer using high-resolution magic angle spinning nuclear magnetic resonance (HR-MAS NMR) spectroscopy and gas chromatography mass spectrometry (GC/MS).

Chan EC, Koh PK, Mal M, Cheah PY, Eu KW, Backshall A, Cavill R, Nicholson JK, Keun HC.

J Proteome Res. 2009 Jan;8(1):352-61. doi: 10.1021/pr8006232.


NMR-based fecal metabolomics fingerprinting as predictors of earlier diagnosis in patients with colorectal cancer.

Lin Y, Ma C, Liu C, Wang Z, Yang J, Liu X, Shen Z, Wu R.

Oncotarget. 2016 May 17;7(20):29454-64. doi: 10.18632/oncotarget.8762.


Colorectal cancer detection using targeted serum metabolic profiling.

Zhu J, Djukovic D, Deng L, Gu H, Himmati F, Chiorean EG, Raftery D.

J Proteome Res. 2014 Sep 5;13(9):4120-30. doi: 10.1021/pr500494u. Epub 2014 Aug 15.


Beyond the paradigm: Combining mass spectrometry and nuclear magnetic resonance for metabolomics.

Marshall DD, Powers R.

Prog Nucl Magn Reson Spectrosc. 2017 May;100:1-16. doi: 10.1016/j.pnmrs.2017.01.001. Epub 2017 Jan 11. Review.


Multi-platform metabolomics assays for human lung lavage fluids in an air pollution exposure study.

Surowiec I, Karimpour M, Gouveia-Figueira S, Wu J, Unosson J, Bosson JA, Blomberg A, Pourazar J, Sandström T, Behndig AF, Trygg J, Nording ML.

Anal Bioanal Chem. 2016 Jul;408(17):4751-64. doi: 10.1007/s00216-016-9566-0. Epub 2016 Apr 25.


Metabonomics identifies serum metabolite markers of colorectal cancer.

Tan B, Qiu Y, Zou X, Chen T, Xie G, Cheng Y, Dong T, Zhao L, Feng B, Hu X, Xu LX, Zhao A, Zhang M, Cai G, Cai S, Zhou Z, Zheng M, Zhang Y, Jia W.

J Proteome Res. 2013 Jun 7;12(6):3000-9. doi: 10.1021/pr400337b. Epub 2013 May 29.


Targeted serum metabolite profiling and sequential metabolite ratio analysis for colorectal cancer progression monitoring.

Zhu J, Djukovic D, Deng L, Gu H, Himmati F, Abu Zaid M, Chiorean EG, Raftery D.

Anal Bioanal Chem. 2015 Oct;407(26):7857-63. doi: 10.1007/s00216-015-8984-8. Epub 2015 Sep 5.


Globally Optimized Targeted Mass Spectrometry: Reliable Metabolomics Analysis with Broad Coverage.

Gu H, Zhang P, Zhu J, Raftery D.

Anal Chem. 2015 Dec 15;87(24):12355-62. doi: 10.1021/acs.analchem.5b03812. Epub 2015 Dec 2.


Screening of synthetic PDE-5 inhibitors and their analogues as adulterants: analytical techniques and challenges.

Patel DN, Li L, Kee CL, Ge X, Low MY, Koh HL.

J Pharm Biomed Anal. 2014 Jan;87:176-90. doi: 10.1016/j.jpba.2013.04.037. Epub 2013 May 6. Review.


Esophageal cancer metabolite biomarkers detected by LC-MS and NMR methods.

Zhang J, Bowers J, Liu L, Wei S, Gowda GA, Hammoud Z, Raftery D.

PLoS One. 2012;7(1):e30181. doi: 10.1371/journal.pone.0030181. Epub 2012 Jan 23.


Selective paired ion contrast analysis: a novel algorithm for analyzing postprocessed LC-MS metabolomics data possessing high experimental noise.

Mak TD, Laiakis EC, Goudarzi M, Fornace AJ Jr.

Anal Chem. 2015 Mar 17;87(6):3177-86. doi: 10.1021/ac504012a. Epub 2015 Feb 26.


Macranthoidin B Modulates Key Metabolic Pathways to Enhance ROS Generation and Induce Cytotoxicity and Apoptosis in Colorectal Cancer.

Fan X, Rao J, Zhang Z, Li D, Cui W, Zhang J, Wang H, Tou F, Zheng Z, Shen Q.

Cell Physiol Biochem. 2018;46(4):1317-1330. doi: 10.1159/000489147. Epub 2018 Apr 18.

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