NMR-based metabolomics in human disease diagnosis: Applications, limitations, and recommendations

Metabolomics

Volumn 9, Issue 5, 2013, Pages 1048-1072

  Emwas, Abdul Hamid M ^a   Salek, Reza M ^b,c,d   Griffin, Julian L ^b,c   Merzaban, Jasmeen ^a  

^a KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Saudi Arabia)

^b UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^c MEDICAL RESEARCH COUNCIL   (United Kingdom)

^d EUROPEAN BIOINFORMATICS INSTITUTE   (United Kingdom)

Author keywords

Biomarkers; Diagnosis; Metabolic fingerprinting; Metabolomics; Metabonomics; NMR spectroscopy; Prognosis

Indexed keywords

HYDROXYMETHYLGLUTARYL COENZYME A REDUCTASE INHIBITOR; MESALAZINE; PACLITAXEL;

ALZHEIMER DISEASE; AMYOTROPHIC LATERAL SCLEROSIS; ANALYTIC METHOD; ANALYTICAL EQUIPMENT; ANALYTICAL PARAMETERS; BLOOD SAMPLING; BRAIN CANCER; BREAST CANCER; CANCER DIAGNOSIS; CARBON NUCLEAR MAGNETIC RESONANCE; CARDIOVASCULAR DISEASE; DATA ANALYSIS; DATA BASE; DATA PROCESSING; DIABETES MELLITUS; DIAGNOSTIC ACCURACY; DIAGNOSTIC VALUE; DISEASE MARKER; DISEASES; ENTERITIS; HIGH PERFORMANCE LIQUID CHROMATOGRAPHY; HIGH RESOLUTION MAGIC ANGLE SPINNING NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; HUMAN; INBORN ERROR OF METABOLISM; ISOTOPE LABELING; LUNG CANCER; MASS SPECTROMETRY; METABOLITE; METABOLOMICS; NITROGEN NUCLEAR MAGNETIC RESONANCE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; ONE DIMENSIONAL NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; OVARY CARCINOMA; PRACTICE GUIDELINE; PREDICTIVE VALUE; PROGNOSIS; PROTON NUCLEAR MAGNETIC RESONANCE; REVIEW; SAMPLING; SCHIZOPHRENIA; SENSITIVITY AND SPECIFICITY; STANDARDIZATION; STORAGE TEMPERATURE; TISSUE PREPARATION; TWO DIMENSIONAL NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;

EID: 84884413414     PISSN: 15733882     EISSN: 15733890     Source Type: Journal    
DOI: 10.1007/s11306-013-0524-y     Document Type: Review

References (256)

1. Aboagye, E. O., & Bhujwalla, Z. M. (1999). Malignant transformation alters membrane choline phospholipid metabolism of human mammary epithelial cells. Cancer Research, 59, 80-84.
2. Abuhijleh, A. L., Abu Ali, H., & Emwas, A.-H. (2009). Synthesis, spectral and structural characterization of dinuclear rhodium (II) complexes of the anticonvulsant drug valproate with theophylline and caffeine. Journal of Organometallic Chemistry, 694, 3590-3596. doi: 10. 1016/j. jorganchem. 2009. 07. 031.
3. Agnolet, S., Wiese, S., Verpoorte, R., & Staerk, D. (2012). Comprehensive analysis of commercial willow bark extracts by new technology platform: Combined use of metabolomics, high-performance liquid chromatography-solid-phase extraction-nuclear magnetic resonance spectroscopy and high-resolution radical scavenging assay. Journal of Chromatography A, 1262, 130-137. doi: 10. 1016/j. chroma. 2012. 09. 013.
4. Ahmed, A. E. S. I., et al. (2011). Metabolomic profiling can differentiate between bactericidal effects of free and polymer bound halogen. Journal of Applied Polymer Science, 119, 709-718.
5. Ala-Korpela, M. (2007). Potential role of body fluid H-1 NMR metabonomics as a prognostic and diagnostic tool. Expert Review of Molecular Diagnostics, 7, 761-773. doi: 10. 1586/14737159. 7. 6. 761.
6. Al-Talla, Z. A., Akrawi, S. H., & Emwas, A. H. M. (2011). Solid state NMR and bioequivalence comparison of the pharmacokinetic parameters of two formulations of clindamycin. International Journal of Clinical Pharmacology and Therapeutics, 49, 469-476. doi: 10. 5414/cp201478.
7. Antoniewicz, M. R., Stephanopoulos, G., & Kelleher, J. K. (2006). Evaluation of regression models in metabolic physiology: Predicting fluxes from isotopic data without knowledge of the pathway. Metabolomics, 2, 41-52. doi: 10. 1007/s11306-06-0018-2.
8. Ardenkjær-Larsen, J. H., et al. (2003). Increase in signal-to-noise ratio of >10, 000 times in liquid-state NMR. Proceedings of the National Academy of Sciences, 100, 10158-10163.
9. Atzori, L., Griffin, J. L., Noto, A., & Fanos, V. (2012). Review metabolomics: A new approach to drug delivery in perinatology. Current Medicinal Chemistry, 19, 4654-4661.
10. Aue, W., Karhan, J., & Ernst, R. (1976). Homonuclear broad band decoupling and two-dimensional J-resolved NMR spectroscopy. Journal of Chemical Physics, 64, 4226-4227.
11. Backshall, A., Sharma, R., Clarke, S. J., & Keun, H. C. (2011). Pharmacometabonomic profiling as a predictor of toxicity in patients with inoperable colorectal cancer treated with capecitabine. Clinical Cancer Research, 17, 3019-3028. doi: 10. 1158/1078-0432. ccr-10-2474.
12. Balog, C. I. A., et al. (2011). Metabonomic investigation of human Schistosoma mansoni infection. Molecular Biosystems, 7, 1473-1480. doi: 10. 1039/c0mb00262c.
13. Bankefors, J., et al. (2011). A comparison of the metabolic profile on intact tissue and extracts of muscle and liver of juvenile Atlantic salmon (Salmo salar L.)-Application to a short feeding study. Food Chemistry, 129, 1397-1405. doi: 10. 1016/j. foodchem. 2011. 05. 081.
14. 1H NMR-based metabolic analysis of human serum and urine for large-scale epidemiological studies: Validation study. International Journal of Epidemiology, 37, i31-i40.
15. Barzilai, A., Horowitz, A., Geier, A., & Degani, H. (1991). Phosphate metabolites and steroid-hormone receptors of benign and malignant breast-tumors-a nuclear-magnetic-resonance study. Cancer, 67, 2919-2925. doi: 10. 1002/1097-0142(19910601)67: 11<2919.
16. Basant, A., Rege, M., Sharma, S., & Sonawat, H. M. (2010). Alterations in urine, serum and brain metabolomic profiles exhibit sexual dimorphism during malaria disease progression. Malaria Journal, 9, 110. doi: 10. 1186/1475-2875-9-110.
17. Baumgart, D. C., & Carding, S. R. (2007). Inflammatory bowel disease: Cause and immunobiology. The Lancet, 369, 1627-1640.
18. Beckonert, O., et al. (2007). Metabolic profiling, metabolomic and metabonomic procedures for NMR spectroscopy of urine, plasma, serum and tissue extracts. Nature Protocols, 2, 2692-2703.
19. Beloueche-Babari, M., et al. (2006). Identification of magnetic resonance detectable metabolic changes associated with inhibition of phosphoinositide 3-kinase signaling in human breast cancer cells. Molecular Cancer Therapeutics, 5, 187-196. doi: 10. 1158/1535-7163. mct-03-0220.
20. Beneduci, A., Cuccurullo, M., Pontoni, G., Chidichimo, G., & Capasso, G. (2010). Perspectives of H-1-NMR-based urinary metabonomics in Fabry disease. Journal of Nephrology, 23, S213-S220.
21. Bernini, P., Bertini, I., Luchinat, C., Nincheri, P., Staderini, S., & Turano, P. (2011). Standard operating procedures for pre-analytical handling of blood and urine for metabolomic studies and biobanks. Journal of Biomolecular NMR, 49, 231-243. doi: 10. 1007/s10858-011-9489-1.
22. Bertini, I., et al. (2008). The metabonomic signature of celiac disease. Journal of Proteome Research, 8, 170-177.
23. Beyoglu, D., & Idle, J. R. (2013). Metabolomics and its potential in drug development. Biochemical Pharmacology, 85, 12-20. doi: 10. 1016/j. bcp. 2012. 08. 013.
24. Bhakoo, K. K., Williams, S. R., Florian, C. L., Land, H., & Noble, M. D. (1996). Immortalization and transformation are associated with specific alterations in choline metabolism. Cancer Research, 56, 4630-4635.
25. Bharti, S. K., Behari, A., Kapoor, V. K., Kumari, N., Krishnani, N., & Roy, R. (2013). Magic angle spinning NMR spectroscopic metabolic profiling of gall bladder tissues for differentiating malignant from benign disease. Metabolomics, 9, 101-118. doi: 10. 1007/s11306-012-0431-7.
26. Bird, S. S., et al. (2012). Structural characterization of plasma metabolites detected via LC-electrochemical coulometric array using LC-UV fractionation, MS, and NMR. Analytical Chemistry, 84, 9889-9898. doi: 10. 1021/ac302278u.
27. Blaise, B. J., et al. (2010). Two-dimensional statistical recoup ling for the identification of perturbed metabolic networks from NMR spectroscopy. Journal of Proteome Research, 9, 4513-4520. doi: 10. 1021/pr1002615.
28. Blasco, H., et al. (2010). 1H-NMR-based metabolomic profiling of CSF in early amyotrophic lateral sclerosis. PLoS One, 5, e13223.
29. Blindauer, C. A., Emwas, A. H., Holy, A., Dvorakova, H., Sletten, E., & Sigel, H. (1997). Complex formation of the antiviral 9-2-(phosphonomethoxy)ethyl adenine (PMEA) and of its N1, N3, and N7 deaza derivatives with copper(II) in aqueous solution. Chemistry-A European Journal, 3, 1526-1536. doi: 10. 1002/chem. 19970030922.
30. Bolan, P. J., et al. (2003). In vivo quantification of choline compounds in the breast with H-1 MR spectroscopy. Magnetic Resonance in Medicine, 50, 1134-1143. doi: 10. 1002/mrm. 10654.
31. Bollard, M. E., Stanley, E. G., Lindon, J. C., Nicholson, J. K., & Holmes, E. (2005). NMR-based metabonomic approaches for evaluating physiological influences on biofluid composition. NMR in Biomedicine, 18, 143-162.
32. Boyle, P., & Levin, B. (2008). World cancer report 2008 (1st ed.). Lyon: International Agency for Research on Cancer (IARC).
33. 1H-NMR-based metabonomics. Nature Medicine, 8, 1439-1445.
34. 1H NMR spectroscopic data to investigate a relationship between human serum metabolic profiles and hypertension. Analyst, 128, 32-36.
35. Cai, H.-L., et al. (2012). Metabolomic analysis of biochemical changes in the plasma and urine of first-episode neuroleptic-naive schizophrenia patients after treatment with risperidone. Journal of Proteome Research, 11, 4338-4350. doi: 10. 1021/pr300459d.
36. Carrola, J., et al. (2011). Metabolic signatures of lung cancer in biofluids: NMR-based metabonomics of urine. Journal of Proteome Research, 10, 221-230.
37. Cascante, M., Boros, L. G., Comin-Anduix, B., de Atauri, P., Centelles, J. J., & Lee, P. W. N. (2002). Metabolic control analysis in drug discovery and disease. Nature Biotechnology, 20, 243-249.
38. Chan, M. K., Tsang, T. M., Harris, L. W., Guest, P. C., Holmes, E., & Bahn, S. (2011). Evidence for disease and antipsychotic medication effects in post-mortem brain from schizophrenia patients. Molecular Psychiatry, 16, 1189-1202. doi: 10. 1038/mp. 2010. 100.
39. 1H-NMR employing low γ nucleus for spin polarization storage. Journal of the American Chemical Society, 131, 3164-3165.
40. Cheng, L. L., Chang, I. W., Smith, B. L., & Gonzalez, R. G. (1998). Evaluating human breast ductal carcinomas with high-resolution magic-angle spinning proton magnetic resonance spectroscopy. Journal of Magnetic Resonance, 135, 194-202. doi: 10. 1006/jmre. 1998. 1578.
41. Cheng, L. L., Anthony, D. C., Comite, A. R., Black, P. M., Tzika, A. A., & Gonzalez, R. G. (2000). Quantification of microheterogeneity in glioblastoma multiforme with ex vivo high-resolution magic-angle spinning (HRMAS) proton magnetic resonance spectroscopy. Neuro-Oncology, 2, 87-95.
42. 1H-NMR data sets. Analytical Chemistry, 77, 1282-1289.
43. Coen, M., et al. (2012). Pharmacometabonomic investigation of dynamic metabolic phenotypes associated with variability in response to galactosamine hepatotoxicity. Journal of Proteome Research, 11, 2427-2440. doi: 10. 1021/pr201161f.
44. 1H-NMR-based urine metabolic profiles of male Wistar Han rats: Implications for biomarker discovery. Biomarkers, 9, 156-179.
45. Connor, S. C., Hansen, M. K., Corner, A., Smith, R. F., & Ryan, T. E. (2010). Integration of metabolomics and transcriptomics data to aid biomarker discovery in type 2 diabetes. Molecular Biosystems, 6, 909-921. doi: 10. 1039/b914182k.
46. 1H NMR-based metabonomics for the diagnosis of inborn errors of metabolism in urine. Analytica Chimica Acta, 542, 169-177.
47. Corte, L., Rellini, P., Roscini, L., Fatichenti, F., & Cardinali, G. (2010). Development of a novel, FTIR (Fourier transform infrared spectroscopy) based, yeast bioassay for toxicity testing and stress response study. Analytica Chimica Acta, 659, 258-265.
48. Craig, A., Cloarec, O., Holmes, E., Nicholson, J. K., & Lindon, J. C. (2006). Scaling and normalization effects in NMR spectroscopic metabonomic data sets. Analytical Chemistry, 78, 2262-2267.
49. 1H NMR: Application in metabonomic toxicology studies. Analytical Chemistry, 77, 4556-4562.
50. Culeddu, N., et al. (2012). NMR-based metabolomic study of type 1 diabetes. Metabolomics, 8, 1162-1169. doi: 10. 1007/s11306-012-0420-x.
51. Davis, V. W., Bathe, O. F., Schiller, D. E., Slupsky, C. M., & Sawyer, M. B. (2011). Metabolomics and surgical oncology: Potential role for small molecule biomarkers. Journal of Surgical Oncology, 103, 451-459. doi: 10. 1002/jso. 21831.
52. 13C magnetic resonance imaging and spectroscopy. Nature Medicine, 13, 1382-1387.
53. Daykin, C. A., Foxall, P. J. D., Connor, S. C., Lindon, J. C., & Nicholson, J. K. (2002). The comparison of plasma deproteinization methods for the detection of low-molecular-weight metabolites by 1H nuclear magnetic resonance spectroscopy. Analytical Biochemistry, 304, 220-230.
54. Defernez, M., Gunning, Y. M., Parr, A. J., Shepherd, L. V. T., Davies, H. V., & Colquhoun, I. J. (2004). NMR and HPLC-UV profiling of potatoes with genetic modifications to metabolic pathways. Journal of Agricultural and Food Chemistry, 52, 6075-6085.
55. Delikatny, E. J., et al. (1996). Tetraphenylphosphonium chloride induced mr-visible lipid accumulation in a malignant human breast cell line. International Journal of Cancer, 67, 72-79.
56. Deng, L., Cheng, K-. K., Dong, J., Griffin, J. L., & Chen, Z. (2012). Non-negative principal component analysis for NMR-based metabolomic data analysis. Chemometrics and Intelligent Laboratory Systems, 118, 51-61. doi: 10. 1016/j. chemolab. 2012. 07. 011.
57. Devaux, P., Horning, M., & Horning, E. (1971). Benzyloxime derivatives of steroids. A new metabolic profile procedure for human urinary steroids human urinary steroids. Analytical Letters, 4, 151-160.
58. 1H-NMR metabonomics. Analytical Chemistry, 78, 4281-4290.
59. Duarte, N. C., et al. (2007). Global reconstruction of the human metabolic network based on genomic and bibliomic data. Proceedings of the National Academy of Sciences, 104, 1777-1782.
60. 13C HMBC-NMR spectroscopy combined with pattern recognition procedures performed on filtered variables. Analytical Chemistry, 74, 2261-2273.
61. Dunn, W. B., Broadhurst, D. I., Atherton, H. J., Goodacre, R., & Griffin, J. L. (2010). Systems level studies of mammalian metabolomes: The roles of mass spectrometry and nuclear magnetic resonance spectroscopy. Chemical Society Reviews, 40, 387-426.
62. Eggleston, J. C., Saryan, L. A., & Hollis, D. P. (1975). Nuclear magnetic resonance investigations of human neoplastic and abnormal nonneoplastic tissues. Cancer Research, 35, 1326-1332.
63. Ekman, D. R., Keun, H. C., Eads, C. D., Furnish, C. M., Rockett, J. C., & Dix, D. J. (2006). Metabolomic evaluation of rat liver and testis to characterize the toxicity of triazole fungicides. Metabolomics, 2, 63-73. doi: 10. 1007/s11306-006-0020-8.
64. Emwas, A. H., Saunders, M., Ludwig, C., & Günther, U. (2008). Determinants for optimal enhancement in ex situ DNP experiments. Applied Magnetic Resonance, 34, 483-494.
65. 1H NMR-based metabolomics: Chemometric methods for the diagnosis of inborn errors of metabolism. Journal of Inherited Metabolic Disease, 34, S269.
66. Eriksson, L., Johansson, E., Kettaneh-Wold, N., & Wold, S. (2006). Multi- and megavariate data analysis. Umea: Umetrics Academy.
67. Fan, T. W. M. (1996). Metabolite profiling by one- and two-dimensional NMR analysis of complex mixtures. Progress in Nuclear Magnetic Resonance Spectroscopy, 28, 161-219.
68. Fan, T. W. M., Lorkiewicz, P. K., Sellers, K., Moseley, H. N. B., Higashi, R. M., & Lane, A. N. (2012). Stable isotope-resolved metabolomics and applications for drug development. Pharmacology & Therapeutics, 133, 366-391. doi: 10. 1016/j. pharmthera. 2011. 12. 007.
69. Feller, M., Huwiler, K., Schoepfer, A., Shang, A., Furrer, H., & Egger, M. (2010). Long-term antibiotic treatment for Crohn's disease: Systematic review and meta-analysis of placebo-controlled trials. Clinical Infectious Diseases, 50, 473-480.
70. 1H NMR projections of biofluids for metabonomics information retrieval and biomarker identification. Analytical Chemistry, 82, 1811-1821.
71. 1H-NMR-based metabonomics in the study of metabolic profiling of human hepatocellular carcinoma and liver cirrhosis. Cancer Science, 100, 782-785.
72. 1H-NMR metabonomics of serum explored by use of a microflow NMR probe. Journal of Proteome Research, 10, 1765-1771.
73. 1H NMR spectroscopic studies on intact rat renal cortex and medulla. Magnetic Resonance in Medicine, 41, 1108-1118.
74. Gartland, K., Beddell, C., Lindon, J., & Nicholson, J. (1991). Application of pattern recognition methods to the analysis and classification of toxicological data derived from proton nuclear magnetic resonance spectroscopy of urine. Molecular Pharmacology, 39, 629-642.
75. Gebregiworgis, T., & Powers, R. (2012). Application of NMR metabolomics to search for human disease biomarkers. Combinatorial Chemistry & High Throughput Screening, 15, 595-610.
76. Ghosh, S., Sengupta, A., Sharma, S., & Sonawat, H. M. (2011). Multivariate modelling with H-1 NMR of pleural effusion in murine cerebral malaria. Malaria Journal, 10, 330. doi: 10. 1186/1475-2875-10-330.
77. Gidman, E., Goodacre, R., Emmett, B., Smith, A. R., & Gwynn-Jones, D. (2003). Investigating plant-plant interference by metabolic fingerprinting. Phytochemistry, 63, 705-710.
78. Gika, H. G., Theodoridis, G. A., Wingate, J. E., & Wilson, I. D. (2007). Within-day reproducibility of an HPLC-MS-based method for metabonomic analysis: Application to human urine. Journal of Proteome Research, 6, 3291-3303.
79. Giskeodegard, G. F., et al. (2010). Multivariate modeling and prediction of breast cancer prognostic factors using MR metabolomics. Journal of Proteome Research, 9, 972-979. doi: 10. 1021/pr9008783.
80. Godoy, M. M. G., et al. (2010). Hepatitis C virus infection diagnosis using metabonomics. Journal of Viral Hepatitis, 17, 854-858. doi: 10. 1111/j. 1365-2893. 2009. 01252. x.
81. Goodacre, R. (2007). Metabolomics of a superorganism. The Journal of Nutrition, 137, 259S-266S.
82. Goodacre, R., et al. (2007). Proposed minimum reporting standards for data analysis in metabolomics. Metabolomics, 3, 231-241. doi: 10. 1007/s11306-007-0081-3.
83. Goodpaster, A. M., Ramadas, E. H., & Kennedy, M. A. (2011). Potential effect of diaper and cotton ball contamination on NMR- and LC/MS-based metabonomics studies of urine from newborn babies. Analytical Chemistry, 83, 896-902. doi: 10. 1021/ac102572b.
84. Gowda, G. A. N., et al. (2010). Quantitative analysis of blood plasma metabolites using isotope enhanced NMR methods. Analytical Chemistry, 82, 8983-8990. doi: 10. 1021/ac101938w.
85. Graham, S. F., Chevallier, O. P., Roberts, D., Holscher, C., Elliott, C. T., & Green, B. D. (2013). Investigation of the human brain metabolome to identify potential markers for early diagnosis and therapeutic targets of Alzheimer's disease. Analytical Chemistry, 85, 1803-1811. doi: 10. 1021/ac303163f.
86. Gribbestad, I. S., et al. (1993). In-vitro proton nmr-spectroscopy of extracts from human breast-tumors and noninvolved breast-tissue. Anticancer Research, 13, 1973-1980.
87. Gribbestad, I. S., Sitter, B., Lundgren, S., Krane, J., & Axelson, D. (1999). Metabolite composition in breast tumors examined by proton nuclear magnetic resonance spectroscopy. Anticancer Research, 19, 1737-1746.
88. Griffin, J. L. (2004). Metabolic profiles to define the genome: Can we hear the phenotypes? Philosophical Transactions of the Royal Society of London. Series B, Biological Sciences, 359, 857-871.
89. Griffin, J. L. (2006). The Cinderella story of metabolic profiling: Does metabolomics get to go to the functional genomics ball? Philosophical Transactions of the Royal Society B: Biological Sciences, 361, 147-161.
90. Griffin, J., Walker, L., Garrod, S., Holmes, E., Shore, R., & Nicholson, J. (2000a). NMR spectroscopy based metabonomic studies on the comparative biochemistry of the kidney and urine of the bank vole (〈i〉 Clethrionomys glareolus 〈/i〉), wood mouse (〈i〉 Apodemus sylvaticus 〈/i〉), white toothed shrew (〈i〉 Crocidura suaveolens 〈/i〉) and the laboratory rat. Comparative Biochemistry and Physiology Part B: Biochemistry and Molecular Biology, 127, 357-367.
91. Griffin, J. L., Troke, J., Walker, L. A., Shore, R. F., Lindon, J. C., & Nicholson, J. K. (2000b). The biochemical profile of rat testicular tissue as measured by magic angle spinning H-1 NMR spectroscopy. FEBS Letters, 486, 225-229. doi: 10. 1016/s0014-5793(00)02307-3.
92. 1H NMR spectroscopy. Magnetic Resonance in Medicine, 46, 249-255.
93. Griffin, J. L., Atherton, H. J., Steinbeck, C., & Salek, R. M. (2011). A Metadata description of the data in "A metabolomic comparison of urinary changes in type 2 diabetes in mouse, rat, and human.". BMC Research Notes, 4, 272.
94. Grimes, J. H., & O'Connell, T. M. (2011). The application of micro-coil NMR probe technology to metabolomics of urine and serum. Journal of Biomolecular NMR, 49(3-4), 297-305.
95. 1H NMR spectra with increased magnetic field strength. Journal of Magnetic Resonance, 135, 260-264.
96. Harris, T., Giraudeau, P., & Frydman, L. (2011). Kinetics from indirectly detected hyperpolarized NMR spectroscopy by using spatially selective coherence transfers. Chemistry-A European Journal, 17, 697-703.
97. Harrison, P. J. (1999). The neuropathological effects of antipsychotic drugs. Schizophrenia Research, 40, 87-99. doi: 10. 1016/s0920-9964(99)00065-1.
98. Hasim, A., Ali, M., Mamtimin, B., Ma, J.-Q., Li, Q.-Z., & Abudula, A. (2012). Metabonomic signature analysis of cervical carcinoma and precancerous lesions in women by H-1 NMR spectroscopy. Experimental and Therapeutic Medicine, 3, 945-951. doi: 10. 3892/etm. 2012. 509.
99. Haug, K., et al. (2013). MetaboLights-an open-access general-purpose repository for metabolomics studies and associated meta-data. Nucleic Acids Research, 41, D781-D786. doi: 10. 1093/nar/gks1004.
100. 1H NMR spectroscopy characterisation of the complex metabolic pattern of urine from patients with inborn errors of metabolism: 2-hydroxyglutaric aciduria and maple syrup urine disease. Journal of Pharmaceutical and Biomedical Analysis, 15, 1647-1659.
101. Holmes, E., et al. (2000). Chemometric models for toxicity classification based on NMR spectra of biofluids. Chemical Research in Toxicology, 13, 471-478.
102. Holmes, E., et al. (2006). Metabolic profiling of CSF: Evidence that early intervention may impact on disease progression and outcome in schizophrenia. Plos Medicine, 3, 1420. doi: 10. 1371/journal. pmed. 0030327.
103. Holmes, E., Tsang, T. M., & Tabrizi, S. J. (2006c). The application of NMR-based metabonomics in neurological disorders. NeuroRx, 3, 358-372.
104. Hotelling, H. (1933). Analysis of a complex of statistical variables into principal components. Journal of Educational Psychology, 24, 417-441.
105. Houze, P., Bellik, B., Extra, J. M., Bouro, F., & Bousquet, B. (1999). Urinary carboxyterminal telopeptide of collagen I as a potential marker of bone metastases chemotherapy monitoring in breast cancer. Clinica Chimica Acta, 281, 77-88. doi: 10. 1016/s0009-8981(98)00209-5.
106. Huang, Z., et al. (2013). Holistic metabonomic profiling of urine affords potential early diagnosis for bladder and kidney cancers. Metabolomics, 9, 119-129. doi: 10. 1007/s11306-012-0433-5.
107. Hwang, G.-S., Yang, J.-Y., Ryu, D. H., & Kwon, T.-H. (2010). Metabolic profiling of kidney and urine in rats with lithium-induced nephrogenic diabetes insipidus by H-1-NMR-based metabonomics. American Journal of Physiology-Renal Physiology, 298, F461-F470. doi: 10. 1152/ajprenal. 00389. 2009.
108. 13C HSQC spectra of metabolite mixtures using nonlinear sampling and forward maximum entropy reconstruction. Journal of the American Chemical Society, 129, 5108-5116.
109. Issaq, H. J., Van, Q. N., Waybright, T. J., Muschik, G. M., & Veenstra, T. D. (2009). Analytical and statistical approaches to metabolomics research. Journal of Separation Science, 32, 2183-2199.
110. Jarvis, R. M., & Goodacre, R. (2005). Genetic algorithm optimization for pre-processing and variable selection of spectroscopic data. Bioinformatics, 21, 860-868. doi: 10. 1093/bioinformatics/bti102.
111. Jimenez, B., et al. (2013). (1)H HR-MAS NMR spectroscopy of tumor-induced local metabolic "field-effects" enables colorectal cancer staging and prognostication. Journal of Proteome Research, 12, 959-968. doi: 10. 1021/pr3010106.
112. Jordan, K., et al. (2010). Comparison of squamous cell carcinoma and adenocarcinoma of the lung by metabolomic analysis of tissue-serum pairs. Lung Cancer, 68, 44-50.
113. Joseph, J. W., et al. (2006). The mitochondrial citrate/isocitrate carrier plays a regulatory role in glucose-stimulated insulin secretion. Journal of Biological Chemistry, 281, 35624-35632. doi: 10. 1074/jbc. M602606200.
114. Kaddurah-Daouk, R., et al. (2007). Metabolomic mapping of atypical antipsychotic effects in schizophrenia. Molecular Psychiatry, 12, 934-945. doi: 10. 1038/sj. mp. 4002000.
115. 31P NMR studies of cell extracts: Differences in metabolism between drug-sensitive and drug-resistant MCF-7 human breast cancer cells. Biochemical and Biophysical Research Communications, 169, 383-390.
116. Katz-Brull, R., Seger, D., Rivenson-Segal, D., Rushkin, E., & Degani, H. (2002). Metabolic markers of breast cancer: Enhanced choline metabolism and reduced choline-ether-phospholipid synthesis. Cancer Research, 62, 1966-1970.
117. Kell, D. B. (2006). Systems biology, metabolic modelling and metabolomics in drug discovery and development. Drug Discovery Today, 11, 1085-1092.
118. 13C NMR spectroscopy of urine for metabonomic studies. Analytical Chemistry, 74, 4588-4593.
119. 1H NMR-based metabonomic urinalysis. Chemical Research in Toxicology, 15, 1380-1386.
120. Kim, O. Y., Lee, J. H., & Sweeney, G. (2013). Metabolomic profiling as a useful tool for diagnosis and treatment of chronic disease: Focus on obesity, diabetes and cardiovascular diseases. Expert Review of Cardiovascular Therapy, 11, 61-68. doi: 10. 1586/erc. 12. 121.
121. Kirschenlohr, H. L., et al. (2006). Proton NMR analysis of plasma is a weak predictor of coronary artery disease. Nature Medicine, 12, 705-710.
122. Kork, F., et al. (2009). A possible new diagnostic biomarker in early diagnosis of Alzheimer's disease. Current Alzheimer Research, 6, 519-524.
123. Kwon, H. N., et al. (2011). Predicting idiopathic toxicity of cisplatin by a pharmacometabonomic approach. Kidney International, 79, 529-537. doi: 10. 1038/ki. 2010. 440.
124. Lachenbruch, P. A., & Goldstein, M. (1979). Discriminant analysis. Biometrics, 35, 69-85.
125. 1H NMR-based metabonomics: Recommendations for sample preparation and storage. Analytical Chemistry, 79, 1181-1186.
126. 1H-FT-NMR spectrometry. European Journal of Pediatrics, 145, 260-266.
127. Lenz, E. M. (2011). Nuclear magnetic resonance (NMR)-based drug metabolite profiling. In: T. O. Metz (Ed.), Metabolic profiling: Methods and protocols. Methods in molecular biology, (pp. 299-319).
128. Leo, G. C., van Hoogdalem, E. J., & van Doorn, M. (2006). NMR-based metabonomics of urine from an exploratory study of ciprofibrate in healthy volunteers and patients with type 2 diabetes mellitus. Frontiers in Drug Design and Discovery, 2, 175-191.
129. 13C NMR spectra. Analytical Chemistry, 79, 9385-9390.
130. Li, H., et al. (2011a). A proton nuclear magnetic resonance metabonomics approach for biomarker discovery in nonalcoholic fatty liver disease. Journal of Proteome Research, 10, 2797-2806. doi: 10. 1021/pr200047c.
131. Li, M., et al. (2011b). An HR-MAS MR metabolomics study on breast tissues obtained with core needle biopsy. PLoS One, 6, e25563. doi: 10. 1371/journal. pone. 0025563.
132. Lin, Z. Y., et al. (2009). A metabonomic approach to early prognostic evaluation of experimental sepsis by H-1 NMR and pattern recognition. NMR in Biomedicine, 22, 601-608. doi: 10. 1002/nbm. 1373.
133. Lin, S., et al. (2010). GC/MS-based metabolomics reveals fatty acid biosynthesis and cholesterol metabolism in cell lines infected with influenza A virus. Talanta, 83, 262-268.
134. Lindon, J. C., Nicholson, J. K., Holmes, E., & Everett, J. R. (2000). Metabonomics: Metabolic processes studied by NMR spectroscopy of biofluids. Concepts in Magnetic Resonance, 12, 289-320.
135. Lindon, J. C., Holmes, E., & Nicholson, J. K. (2006). Metabonomics techniques and applications to pharmaceutical research & development. Pharmaceutical Research, 23, 1075-1088.
136. Lindon, J. C., Beckonert, O. P., Holmes, E., & Nicholson, J. K. (2009). High-resolution magic angle spinning NMR spectroscopy: Application to biomedical studies. Progress in Nuclear Magnetic Resonance Spectroscopy, 55, 79-100. doi: 10. 1016/j. pnmrs. 2008. 11. 004.
137. Lu, D. H., et al. (2002). C-13 NMR isotopomer analysis reveals a connection between pyruvate cycling and glucose-stimulated insulin secretion (GSIS). Proceedings of the National Academy of Sciences of the United States of America, 99, 2708-2713. doi: 10. 1073/pnas. 052005699.
138. Ludwig, C., & Viant, M. R. (2010). Two-dimensional J-resolved NMR spectroscopy: Review of a key methodology in the metabolomics toolbox. Phytochemical Analysis, 21, 22-32.
139. Ludwig, C., et al. (2010). Application of ex situ dynamic nuclear polarization in studying small molecules. Physical Chemistry Chemical Physics: PCCP, 12, 5868-5871.
140. Lutz, N. W., Franks, S. E., Frank, M. H., Pomer, S., & Hull, W. E. (2005). Investigation of multidrug resistance in cultured human renal cell carcinoma cells by P-31-NMR spectroscopy and treatment survival assays. Magnetic Resonance Materials in Physics, Biology and Medicine, 18, 144-161. doi: 10. 1007/s10334-005-0107-7.
141. Mackinnon, W. B., et al. (1997). Fine-needle biopsy specimens of benign breast lesions distinguished from invasive cancer ex vivo with proton MR spectroscopy. Radiology, 204, 661-666.
142. MacKinnon, N., Khan, A. P., Chinnaiyan, A. M., Rajendiran, T. M., & Ramamoorthy, A. (2012). Androgen receptor activation results in metabolite signatures of an aggressive prostate cancer phenotype: An NMR-based metabonomics study. Metabolomics, 8, 1026-1036. doi: 10. 1007/s11306-012-0398-4.
143. Makinen, V.-P., et al. (2008). (1)H NMR metabonomics approach to the disease continuum of diabetic complications and premature death. Molecular Systems Biology, 4, 1-12. doi: 10. 1038/msb4100205.
144. Mannina, L., et al. (2008). NMR metabolic profiling of organic and aqueous sea bass extracts: Implications in the discrimination of wild and cultured sea bass. Talanta, 77, 433-444.
145. Marchesi, J. R., et al. (2007). Rapid and noninvasive metabonomic characterization of inflammatory bowel disease. Journal of Proteome Research, 6, 546-551.
146. Maxwell, R. J., et al. (1998). Pattern recognition analysis of H-1 NMR spectra from perchloric acid extracts of human brain tumor biopsies. Magnetic Resonance in Medicine, 39, 869-877. doi: 10. 1002/mrm. 1910390604.
147. Mills, S. E., & Carter, D. (2004). Sternberg's diagnostic surgical pathology. Philadelphia: Lippincott Williams & Wilkins.
148. Monleon, D., et al. (2008). Benign and atypical meningioma metabolic signatures by high-resolution magic-angle spinning molecular profiling. Journal of Proteome Research, 7, 2882-2888. doi: 10. 1021/pr800110a.
149. Mortishire-Smith, R. J., et al. (2004). Use of metabonomics to identify impaired fatty acid metabolism as the mechanism of a drug-induced toxicity. Chemical Research in Toxicology, 17, 165-173.
150. Morvan, D., & Demidem, A. (2007). Metabolomics by proton nuclear magnetic resonance spectroscopy of the response to chloroethylnitrosourea reveals drug efficacy and tumor adaptive metabolic pathways. Cancer Research, 67, 2150-2159. doi: 10. 1158/0008-5472. can-06-2346.
151. Morvan, D., Demidem, A., Papon, J., De Latour, M., & Madelmont, J. C. (2002). Melanoma tumors acquire a new phospholipid metabolism phenotype under cystemustine as revealed by high-resolution magic angle spinning proton nuclear magnetic resonance spectroscopy of intact tumor samples. Cancer Research, 62, 1890-1897.
152. Nahon, P., et al. (2012). Identification of serum proton NMR metabolomic fingerprints associated with hepatocellular carcinoma in patients with alcoholic cirrhosis. Clinical Cancer Research, 18, 6714-6722. doi: 10. 1158/1078-0432. ccr-12-1099.
153. Nambiar, P. R., Gupta, R. R., & Misra, V. (2010). An "Omics" based survey of human colon cancer. Mutation Research-Fundamental and Molecular Mechanisms of Mutagenesis, 693, 3-18.
154. Nevedomskaya, E., et al. (2012). H-1 NMR-based metabolic profiling of urinary tract infection: Combining multiple statistical models and clinical data. Metabolomics, 8, 1227-1235. doi: 10. 1007/s11306-012-0411-y.
155. Nicholson, J. K., & Wilson, I. D. (1989). High resolution proton magnetic resonance spectroscopy of biological fluids. Progress in Nuclear Magnetic Resonance Spectroscopy, 21, 449-501.
156. Nicholson, J. K., & Wilson, I. D. (2003). Understanding 'global' systems biology: Metabonomics and the continuum of metabolism. Nature Reviews Drug Discovery, 2, 668-676.
157. Nicholson, J. K., Oflynn, M. P., Sadler, P. J., Macleod, A. F., Juul, S. M., & Sonksen, P. H. (1984). Proton-nuclear-magnetic-resonance studies of serum, plasma and urine from fasting normal and diabetic subjects. Biochemical Journal, 217, 365-375.
158. 13C NMR spectroscopy of human blood plasma. Analytical Chemistry, 67, 793-811.
159. Nicholson, J., Lindon, J., & Holmes, E. (1999). Metabonomics: Understanding the metabolic responses of living systems to pathophysiological stimuli via multivariate statistical analysis of biological NMR spectroscopic data. Xenobiotica, 29, 1181-1189.
160. Nicholson, J. K., Wilson, I. D., & Lindon, J. C. (2011). Pharmacometabonomics as an effector for personalized medicine. Pharmacogenomics, 12, 103-111. doi: 10. 2217/pgs. 10. 157.
161. Nissen, P. M., Nebel, C., Oksbjerg, N., & Bertram H. C. (2011). Metabolomics reveals relationship between plasma inositols and birth weight: Possible markers for fetal programming of type 2 diabetes. Journal of Biomedicine & Biotechnology. doi: 10. 1155/2011/378268.
162. Odunsi, K., et al. (2005). Detection of epithelial ovarian cancer using 1H-NMR-based metabonomics. International Journal of Cancer, 113, 782-788.
163. Oliver, S. (2003). Functional genomics: All the king's horses and all the king's men can put Humpty together again. Molecular Cell, 12, 1343-1344.
164. Oliver, S. G., Winson, M. K., Kell, D. B., & Baganz, F. (1998). Systematic functional analysis of the yeast genome. Trends in Biotechnology, 16, 373-378.
165. Ouyang, D. (2012). Metabolomic characterization of human pancreatitis by H-1-NMR spectroscopy. Hepato-Gastroenterology, 59, 2314-2317. doi: 10. 5754/hge11839.
166. Pan, Z., et al. (2007). Principal component analysis of urine metabolites detected by NMR and DESI-MS in patients with inborn errors of metabolism. Analytical and Bioanalytical Chemistry, 387, 539-549. doi: 10. 1007/s00216-006-0546-7.
167. Pears, M. R., Cooper, J. D., Mitchison, H. M., Mortishire-Smith, R. J., Pearce, D. A., & Griffin, J. L. (2005). High resolution 1H NMR-based metabolomics indicates a neurotransmitter cycling deficit in cerebral tissue from a mouse model of Batten disease. Journal of Biological Chemistry, 280, 42508-42514.
168. Philippeos, C., Steffens, F. E., & Meyer, D. (2009). Comparative H-1 NMR-based metabonomic analysis of HIV-1 sera. Journal of Biomolecular NMR, 44, 127-137. doi: 10. 1007/s10858-009-9329-8.
169. Pirozynski, M. (2006). Retraced: 100 years of lung cancer. Respiratory Medicine, 100, 2073-2084.
170. Polson, C., Sarkar, P., Incledon, B., Raguvaran, V., & Grant, R. (2003). Optimization of protein precipitation based upon effectiveness of protein removal and ionization effect in liquid chromatography-tandem mass spectrometry. Journal of Chromatography B, 785, 263-275.
171. Prabakaran, S., et al. (2004). Mitochondrial dysfunction in schizophrenia: Evidence for compromised brain metabolism and oxidative stress. Molecular Psychiatry, 9, 684-697.
172. Prantera, C., & Scribano, M. L. (2009). Antibiotics and probiotics in inflammatory bowel disease: Why, when, and how. Current Opinion in Gastroenterology, 25, 329-333. doi: 10. 1097/MOG. 0b013e32832b20bf.
173. Psihogios, N. G., Gazi, I. F., Elisaf, M. S., Seferiadis, K. I., & Bairaktari, E. T. (2008). Gender-related and age-related urinalysis of healthy subjects by NMR-based metabonomics. NMR in Biomedicine, 21, 195-207.
174. Psychogios, N., et al. (2011). The human serum metabolome. PLoS One, 6, e16957.
175. Puccio, G., Brambilla, P., Conti, M., Bartolini, D., Noonan, D., & Albini, A. (2013). Surface-activated chemical ionization-electrospray mass spectrometry in the analysis of urinary thiodiglycolic acid. Rapid Communications in Mass Spectrometry, 27, 476-480. doi: 10. 1002/rcm. 6471.
176. Purohit, P. V., Rocke, D. M., Viant, M. R., & Woodruff, D. L. (2004). Discrimination models using variance-stabilizing transformation of metabolomic NMR data. Omics: A Journal of Integrative Biology, 8, 118-130.
177. Qi, S., Ouyang, X., Wang, L., Peng, W., Wen, J., & Dai, Y. (2012a). A pilot metabolic profiling study in serum of patients with chronic kidney disease based on 1H-NMR-spectroscopy. Cts-Clinical and Translational Science, 5, 379-385. doi: 10. 1111/j. 1752-8062. 2012. 00437. x.
178. 1H NMR-based metabonomics. Hepatology Research, 42, 677-685. doi: 10. 1111/j. 1872-034X. 2011. 00964. x.
179. Raamsdonk, L. M., et al. (2001). A functional genomics strategy that uses metabolome data to reveal the phenotype of silent mutations. Nature Biotechnology, 19, 45-50.
180. Rahmioglu, N., et al. (2011). Prediction of variability in CYP3A4 induction using a combined (1)H NMR metabonomics and targeted UPLC-MS approach. Journal of Proteome Research, 10, 2807-2816. doi: 10. 1021/pr200077n.
181. Rantalainen, M., et al. (2006). Statistically integrated metabonomic-proteomic studies on a human prostate cancer xenograft model in mice. Journal of Proteome Research, 5, 2642-2655.
182. Rasmiena, A. A., Ng, T. W., & Meikle, P. J. (2013). Metabolomics and ischaemic heart disease. Clinical Science, 124, 289-306. doi: 10. 1042/cs20120268.
183. Rasmussen, L. G., Savorani, F., Larsen, T. M., Dragsted, L. O., Astrup, A., & Engelsen, S. B. (2011). Standardization of factors that influence human urine metabolomics. Metabolomics, 7, 71-83.
184. 1H NMR of intact tissue and solution 1H NMR of tissue extracts in SIV-infected macaques. NMR in Biomedicine, 18, 242-251.
185. Rehman, S., et al. (2012). Dupuytren's disease metabolite analyses reveals alterations following initial short-term fibroblast culturing. Molecular Biosystems, 8, 2274-2288. doi: 10. 1039/c2mb25173f.
186. Riccio, M. F., et al. (2010). Easy mass spectrometry for metabolomics and quality control of vegetable and animal fats. European Journal of Lipid Science and Technology, 112, 434-438.
187. 1H nuclear magnetic resonance and high performance liquid chromatography. Biomarkers, 8(3), 240-271.
188. Rocha, C. M., et al. (2011). Metabolic signatures of lung cancer in biofluids: NMR-based metabonomics of blood plasma. Journal of Proteome Research, 10, 4314-4324.
189. Rochfort, S. J., Ezernieks, V., & Yen, A. L. (2009). NMR-based metabolomics using earthworms as potential indicators for soil health. Metabolomics, 5, 95-107.
190. Ronnebaum, S. M., et al. (2006). A pyruvate cycling pathway involving cytosolic NADP-dependent isocitrate dehydrogenase regulates glucose-stimulated insulin secretion. Journal of Biological Chemistry, 281, 30593-30602. doi: 10. 1074/jbc. M511908200.
191. 1H NMR spectroscopy of intact liver tissue. Magnetic Resonance in Medicine, 50, 925-930.
192. Ross, B., Tran, T., Bhattacharya, P., Watterson, D. M., & Sailasuta, N. (2011). Application of NMR spectroscopy in medicinal chemistry and drug discovery. Current Topics in Medicinal Chemistry, 11, 93-114. doi: 10. 2174/156802611793611850.
193. Roussel, R., et al. (2007). NMR-based prediction of cardiovascular risk in diabetes. Nature Medicine, 13, 399-400.
194. Rubtsov, D. V., & Griffin, J. L. (2007). Time-domain Bayesian detection and estimation of noisy damped sinusoidal signals applied to NMR spectroscopy. Journal of Magnetic Resonance, 188, 367-379.
195. Ruiz-Cabello, J., & Cohen, J. S. (1992). Phospholipid metabolites as indicators of cancer cell function. NMR in Biomedicine, 5, 226-233.
196. Ryan, D., Robards, K., Prenzler, P., & Kendall, M. (2011). Recent and potential developments in the analysis of urine: A review. Analytica Chimica Acta, 684, 17-29.
197. Sachse, D., et al. (2012). Metabolic changes in urine during and after pregnancy in a large, multiethnic population-based cohort Study of gestational diabetes. PLoS One, 7, e52399. doi: 10. 1371/journal. pone. 0052399.
198. Salek, R. M., et al. (2007). A metabolomic comparison of urinary changes in type 2 diabetes in mouse, rat, and human. Physiological Genomics, 29, 99-108. doi: 10. 1152/physiolgenomics. 00194. 2006.
199. Sandusky, P., & Raftery, D. (2005). Use of selective TOCSY NMR experiments for quantifying minor components in complex mixtures: Application to the metabonomics of amino acids in honey. Analytical Chemistry, 77, 2455-2463.
200. Saric, J., et al. (2009). Panorganismal metabolic response modeling of an experimental echinostoma caproni infection in the mouse. Journal of Proteome Research, 8, 3899-3911. doi: 10. 1021/pr900185s.
201. Saude, E. J., & Sykes, B. D. (2007). Urine stability for metabolomic studies: Effects of preparation and storage. Metabolomics, 3, 19-27.
202. Saude, E. J., Adamko, D., Rowe, B. H., Marrie, T., & Sykes, B. D. (2007). Variation of metabolites in normal human urine. Metabolomics, 3, 439-451.
203. Scheltema, R., Decuypere, S., Dujardin, J. C., Watson, D., Jansen, R., & Breitling, R. (2009). Simple data-reduction method for high-resolution LC-MS data in metabolomics. Bioanalysis, 1, 1551-1557.
204. Scott, I. M., et al. (2010). Enhancement of plant metabolite fingerprinting by machine learning. Plant Physiology, 153, 1506-1520.
205. Sengupta, A., et al. (2011). Global host metabolic response to plasmodium vivax infection: A H-1 NMR based urinary metabonomic study. Malaria Journal, 10, 384. doi: 10. 1186/1475-2875-10-384.
206. 13C NMR. Proceedings of the National Academy of Sciences, 104, 11540-11544.
207. Sharma, U., Mehta, A., Seenu, V., & Jagannathan, N. R. (2004). Biochemical characterization of metastatic lymph nodes of breast cancer patients by in vitro H-1 magnetic resonance spectroscopy: A pilot study. Magnetic Resonance Imaging, 22, 697-706. doi: 10. 1016/j. mri. 2004. 01. 037.
208. Sheedy, J. R., Ebeling, P. R., Gooley, P. R., & McConville, M. J. (2010). A sample preparation protocol for (1)H nuclear magnetic resonance studies of water-soluble metabolites in blood and urine. Analytical Biochemistry, 398, 263-265. doi: 10. 1016/j. ab. 2009. 11. 027.
209. Sitter, B., Sonnewald, U., Spraul, M., Fjösne, H. E., & Gribbestad, I. S. (2002). High-resolution magic angle spinning MRS of breast cancer tissue. NMR in Biomedicine, 15, 327-337.
210. Smolinska, A., Blanchet, L., Buydens, L. M. C., & Wijmenga, S. S. (2012). NMR and pattern recognition methods in metabolomics: From data acquisition to biomarker discovery: A review. Analytica Chimica Acta, 750, 82-97. doi: 10. 1016/j. aca. 2012. 05. 049.
211. Sonawat, H. M., & Sharma, S. (2012). Host responses in malaria disease evaluated through nuclear magnetic resonance-based metabonomics. Clinics in Laboratory Medicine, 32, 129. doi: 10. 1016/j. cll. 2012. 04. 005.
212. Steinbeck, C., et al. (2012). MetaboLights: Towards a new COSMOS of metabolomics data management. Metabolomics, 8(5), 1-4.
213. Stretch, C., et al. (2012). Prediction of skeletal muscle and fat mass in patients with advanced cancer using a metabolomic approach. Journal of Nutrition, 142, 14-21. doi: 10. 3945/jn. 111. 147751.
214. Sukumaran, D. K., et al. (2009). Standard operating procedure for metabonomics studies of blood serum and plasma samples using a H-1-NMR micro-flow probe. Magnetic Resonance in Chemistry, 47, S81-S85. doi: 10. 1002/mrc. 2469.
215. Sumner, L. W., et al. (2007). Proposed minimum reporting standards for chemical analysis. Metabolomics, 3, 211-221. doi: 10. 1007/s11306-007-0082-2.
216. Tang, J., Tan, C. Y., Oresic, M., & Vidal-Puig, A. (2009). Integrating post-genomic approaches as a strategy to advance our understanding of health and disease. Genome Medicine, 1, e35.
217. Tenori, L., et al. (2012). Exploration of serum metabolomic profiles and outcomes in women with metastatic breast cancer: A pilot study. Molecular Oncology, 6, 437-444. doi: 10. 1016/j. molonc. 2012. 05. 003.
218. 1H nuclear magnetic resonance spectroscopy. Analytical Biochemistry, 377, 16-23.
219. 1H-NMR data. Metabolomics, 4, 114-121.
220. 1H nuclear magnetic resonance spectroscopy. Magnetic Resonance in Medicine, 53, 1018-1024.
221. Urbanczyk-Wochniak, E., et al. (2003). Parallel analysis of transcript and metabolic profiles: A new approach in systems biology. EMBO Reports, 4, 989-993.
222. Usenius, J. P., Vainio, P., Hernesniemi, J., & Kauppinen, R. A. (1994). Choline-containing compounds in human astrocytomas studied by 1H NMR spectroscopy in vivo and in vitro. Journal of Neurochemistry, 63, 1538-1543.
223. van Doorn, M., et al. (2007). Evaluation of metabolite profiles as biomarkers for the pharmacological effects of thiazolidinediones in Type 2 diabetes mellitus patients and healthy volunteers. British Journal of Clinical Pharmacology, 63, 562-574. doi: 10. 1111/j. 1365-2125. 2006. 02816. x.
224. van Jim, O. S., & Kapur, S. (2009). Schizophrenia. Lancet, 374, 635-645.
225. van Oss, C. (1989). On the mechanism of the cold ethanol precipitation method of plasma protein fractionation. Journal of Protein Chemistry, 8, 661-668.
226. Vander Heiden, M. G., Cantley, L. C., & Thompson, C. B. (2009). Understanding the Warburg effect: The metabolic requirements of cell proliferation. Science's STKE, 324, 1029-1033.
227. Vermathen, M., Marzorati, M., & Vermathen, P. (2012). Exploring high-resolution magic angle spinning (HR-MAS) NMR Spectroscopy for metabonomic analysis of apples. Chimia, 66, 747-751. doi: 10. 2533/chimia. 2012. 747.
228. Verwaest, K. A., et al. (2011). (1)H NMR based metabolomics of CSF and blood serum: A metabolic profile for a transgenic rat model of Huntington disease. Biochimica Et Biophysica Acta-Molecular Basis of Disease, 1812, 1371-1379. doi: 10. 1016/j. bbadis. 2011. 03. 001.
229. Viant, M. R. (2003). Improved methods for the acquisition and interpretation of NMR metabolomic data. Biochemical and Biophysical Research Communications, 310, 943-948.
230. Viant, M. R., Rosenblum, E. S., & Tjeerdema, R. S. (2003). NMR-based metabolomics: A powerful approach for characterizing the effects of environmental stressors on organism health. Environmental Science and Technology, 37, 4982-4989.
231. Vizán, P., Mazurek, S., & Cascante, M. (2008). Robust metabolic adaptation underlying tumor progression. Metabolomics, 4, 1-12.
232. Walenta, S., Schroeder, T., & Mueller-Klieser, W. (2004). Lactate in solid malignant tumors: Potential basis of a metabolic classification in clinical oncology. Current Medicinal Chemistry, 11, 2195-2204.
233. Wang, Z., et al. (2012). H-1 NMR-based metabolomic analysis for identifying serum biomarkers to evaluate methotrexate treatment in patients with early rheumatoid arthritis. Experimental and Therapeutic Medicine, 4, 165-171. doi: 10. 3892/etm. 2012. 567.
234. Warburg, O. (1956). On the origin of cancer cells. Science, 123, 309-314.
235. Waters, N. J., Waterfield, C. J., Farrant, R. D., Holmes, E., & Nicholson, J. K. (2005). Metabonomic deconvolution of embedded toxicity: Application to thioacetamide hepato- and nephrotoxicity. Chemical Research in Toxicology, 18, 639-654.
236. 1H NMR metabolomics data. Analytical Chemistry, 78, 4430-4442.
237. Wen, H., et al. (2011). identification of urinary biomarkers related to cisplatin-induced acute renal toxicity using NMR-based metabolomics. Biomolecules & Therapeutics, 19, 38-44. doi: 10. 4062/biomolther. 2011. 19. 1. 038.
238. Williams, H. R. T., et al. (2012). Serum metabolic profiling in inflammatory bowel disease. Digestive Diseases and Sciences, 57, 2157-2165. doi: 10. 1007/s10620-012-2127-2.
239. Wilson, I. D., Plumb, R., Granger, J., Major, H., Williams, R., & Lenz, E. M. (2005). HPLC-MS-based methods for the study of metabonomics. Journal of Chromatography B, 817, 67-76.
240. Winder, C. L., et al. (2008). Global metabolic profiling of Escherichia coli cultures: An evaluation of methods for quenching and extraction of intracellular metabolites. Analytical Chemistry, 80, 2939-2948. doi: 10. 1021/ac7023409.
241. Wishart, D. S., et al. (2007). HMDB: The human metabolome database. Nucleic Acids Research, 35, D521-D526.
242. Witjes, H., Melssen, W., van der Graaf, M., Heerschap, A., & Buydens, L. (2000). Automatic correction for phase shifts, frequency shifts, and lineshape distortions across a series of single resonance lines in large spectral data sets. Journal of Magnetic Resonance, 144, 35-44.
243. Wold, S., Sjostrom, M., & Eriksson, L. (2001). PLS-regression: A basic tool of chemometrics. Chemometrics and Intelligent Laboratory Systems, 58, 109-130. doi: 10. 1016/s0169-7439(01)00155-1.
244. Worley, B., Halouska, S., & Powers, R. (2013). Utilities for quantifying separation in PCA/PLS-DA scores plots. Analytical Biochemistry, 433, 102-104.
245. Xi, Y., de Ropp, J. S., Viant, M. R., Woodruff, D. L., & Yu, P. (2006). Automated screening for metabolites in complex mixtures using 2D COSY NMR spectroscopy. Metabolomics, 2, 221-233.
246. Xu, X.-H., Huang, Y., Wang, G., & Chen, S.-D. (2012). Metabolomics: A novel approach to identify potential diagnostic biomarkers and pathogenesis in Alzheimer's disease. Neuroscience Bulletin, 28, 641-648. doi: 10. 1007/s12264-012-1272-0.
247. Yang, J., et al. (2004). Diagnosis of liver cancer using HPLC-based metabonomics avoiding false-positive result from hepatitis and hepatocirrhosis diseases. Journal of Chromatography B, 813, 59-65.
248. Yizhak, K., Benyamini, T., Liebermeister, W., Ruppin, E., & Shlomi, T. (2010). Integrating quantitative proteomics and metabolomics with a genome-scale metabolic network model. Bioinformatics, 26, i255-i260.
249. Yuk, J., McKelvie, J. R., Simpson, M. J., Spraul, M., & Simpson, A. J. (2010). Comparison of 1-D and 2-D NMR techniques for screening earthworm responses to sub-lethal endosulfan exposure. Environmental Chemistry, 7, 524-536.
250. Zellner, M., et al. (2005). Quantitative validation of different protein precipitation methods in proteome analysis of blood platelets. Electrophoresis, 26, 2481-2489.
251. Zhang, S., Gowda, G. A. N., Asiago, V., Shanaiah, N., Barbas, C., & Raftery, D. (2008). Correlative and quantitative H-1 NMR-based metabolomics reveals specific metabolic pathway disturbances in diabetic rats. Analytical Biochemistry, 383, 76-84. doi: 10. 1016/j. ab. 2008. 07. 041.
252. Zhang, J., et al. (2012). NMR-based metabolomics study of canine bladder cancer. Biochimica Et Biophysica Acta-Molecular Basis of Disease, 1822, 1807-1814. doi: 10. 1016/j. bbadis. 2012. 08. 001.
253. Zhao, L., Liu, X., Xie, L., Gao, H., & Lin, D. (2010). H-1 NMR-based metabonomic analysis of metabolic changes in streptozotocin-induced diabetic rats. Analytical Sciences, 26, 1277-1282. doi: 10. 2116/analsci. 26. 1277.
254. 1H-NMR spectroscopy and multivariate data analysis. Phytochemical Analysis, 23, 492-501. doi: 10. 1002/pca. 2346.
255. Zhu, Z.-J., et al. (2013). Liquid chromatography quadrupole time-of-flight mass spectrometry characterization of metabolites guided by the METLIN database. Nature Protocols, 8, 451-460. doi: 10. 1038/nprot. 2013. 004.
256. Zivkovic, A. M., & German, J. B. (2009). Metabolomics for assessment of nutritional status. Current Opinion in Clinical Nutrition and Metabolic Care, 12, 501-507.