[1] Antoniou A C, Pharoah P D P, McMullan G, Day N E, Stratton M R, Peto J, Ponder B J. A comprehensive model for familial breast cancer incorporating BRCA1, BRCA2 and other genes[J]. Br J Cancer, 2002, 86(1):76-83.
[2] Armstrong K, Weiner J, Weber B, Asch D A. Early adoption of BRCA1/2 testing: Who and why[J]. Genet Med, 2003, 5(2):92-98.
[3] Lee J H, Flaquer A, Costa R, Andrews H, Cross P, Lantigua R, Schupf N, Tang M X, Mayeux R. Genetic influences on life span and survival among elderly African-Americans, Caribbean Hispanics, and Caucasians[J]. Am J Med Genetics, 2004, 128A(2):159-164.
[4] Bertucci F, Bernard K, Loriod B, Chang Y C, Granjeaud S, Birnbaum D, Nguyen C, Peck K, Jordan B R. Sensitivity issues in DNA array-based expression measurements and performance of nylon microarrays for small samples[J]. Hum Mol Genetics, 1999, 8(9):
1 715-1 722.
[5] Kenyon G L, DeMarini D M, Fuchs E, Galas D J, Kirsch J F, Leyh T S, Moos W H, Petsko G A, Ringe D, Rubin G M, Sheahan L C. Defining the mandate of proteomics in the postgenomics era: Workshop report[J]. Mol Cell Proteomics, 2002, 1(10):763-780.
[6] Nicholson J K, Lindon J C, Holmes E. 'Metabonomics': understanding the metabolic responses of living systems to pathophysiological stimuli via multivariate statistical analysis of biological NMR spectroscopic data[J]. Xenobiotica, 1999, 29(11):1 181-1 189.
[7] Fiehn O. Metabolomics the link between genotypes and phenotypes[J]. Plant Molecular Biol, 2002, 48(1-2):155-171.
[8] Nicholson J K, Wilson I D. Understanding 'global' systems biology: Metabonomics and the continuum of metabolism[J]. Nat Rev Drug Discov, 2003, 2(8):668-676.
[9] Lindon J C, Nicholson J K, Holmes E, Everett J R. Metabonomics: Metabolic processes studied by NMR spectroscopy of biofluids[J]. Concepts Magn Reson, 2000, 12(5):289-320.
[10] Nicholson J K, Connelly J, Lindon J C, Holmes E. Metabonomics: a platform for studying drug toxicity and gene function[J]. Nature Rev Drug Disc, 2002, 1(2):153-161.
[11] Lindon J C, Holmes E, Nicholson J K. So whats the deal with metabonomics? Metabonomics measures the fingerprint of biochemical perturbations caused by disease, drugs, and toxins So whats the deal with metabonomics? Metabonomics measures the fingerprint of biochemical perturbations caused by disease, drugs, and toxins[J]. Anal Chem, 2003, 75(17):384A-391A.
[12] Wold S, Trygg J, Berglund A, Antti H. Some recent developments in PLS modeling[J]. Chemometrics Intell Lab Syst, 2001, 58(2):131-150.
[13] Lindon J C, Nicholson J K, Everett J R. NMR spectroscopy of biofluids[M]. Annual reports on NMR spectroscopy, London: Academic Press, 1999, 38:1-88.
[14] Claridge T D W. High-resolution NMR techniques in organic chemistry[M]. Elsevier Science: Oxford, 1999.
[15] Liu M L, Nicholson J K, London J C. High-resolution diffusion and relaxation edited one-and two-dimensional H-1 NMR spectroscopy of biological fluids[J]. Anal Chem, 1996, 68(19):3 370-3 376.
[16] Price W S. Recent advances in NMR diffusion techniques for studying drug binding[J]. Aust J Chem, 2003, 56(9):855-860.
[17] Khandelwal P, Beyer C E, Lin Q, McGonigle P, Schechter L E, Bach A C. Nanoprobe NMR spectroscopy and in vivo microdialysis: new analytical methods to study brain neurochemistry[J]. J Neurosci Methods, 2004, 133(1-2):181-189.
[18] Griffin J L, Nicholls A W, Keun H C, Mortishire-Smith, R J, Nicholson J K, Kuehn T. Metabolic profiling of rodent biological fluids via H1 NMR spectroscopy using a 1 mm microlitre probe[J]. Analyst, 2002, 127(5):582-584.
[19] Crouch R, C, Llanos W, Mehr K G, Hadden C E, Russell D J, Martin G E. Applications of cryogenic NMR probe technology to longrange H-1-N-15 2D NMR studies at natural abundance[J]. Magn Reson Chem, 2001, 39(9):555-558.
[20] Szantay C, Demeter A. Radiation damping diagnostics[J]. Concepts Magn Reson, 1999, 11(3):121-145.
[21] Keun H C, Beckonert O, Griffin J L, Richter C, Moskau D, Lindon J C, Nicholson J K. Cryogenic probe C-13 NMR spectroscopy of urine for metabonomic studies[J]. Anal Chem, 2002, 74(17):4 588-4 593.
[22] Andrew E R. The narrowing of NMR spectra of solids by high-speed specimen rotation and the resolution of chemical shift and spin multiplet structures for solids[J]. Prog NMR Spectrosc, 1971, 8(1):1-39.
[23] Garrod S, Humpfer E, Spraul M, Connor S C, Polley S, Connelly J, Lindon J C, Nicholson J K, Holmes E. High-resolution magic angle spinning H-1 NMR spectroscopic studies on intact rat renal cortex and medulla[J]. Magn Reson Med, 1999, 41(6):1 108-1 118.
[24] Waters N J, Holmes E, Williams A, Waterfield C J, Farrant R D, Nicholson J K. NMR and pattern recognition studies on the time-related metabolic effects of alphanaphthylisothiocyanate on liver, urine, and plasma in the rat: An integrative metabonomic approach[J]. Chem Res Toxicol, 2001, 14(10):1 401-1 412.
[25] Coen M, Lenz E M, Nicholson J K, Wilson I D, Pognan F, Lindon J C. An integrated metabonomic investigation of acetaminophen toxicity in the mouse using NMR spectroscopy[J]. Chem Res Toxicol, 2003, 16(3):295-303.
[26] Cheng L L, Lean C L, Bogdanova A, Wright S C, Ackerman J L, Brady T J, Garrido L. Enhanced resolution of proton NMR spectra of malignant lymph nodes using magic-angle spinning[J]. Magn Reson Med, 1996, 36(5):653-658.
[27] Cheng L L, Ma M J, Becerra L, Ptak T, Tracey I, Lackner A, Gonzalez R G. Quantitative neuropathology by high resolution magic angle spinning proton magnetic resonance spectroscopy[J]. Proc Natl Acad Sci USA, 1997, 94(12):6 408-6 413.
[28] Lamers R, Wessels E, van de Sandt J J M, Venema K, Schaafsma G, van der Greef J, van Nesselrooij J H J. A pilot study to investigate effects of inulin on Caco-2 cells through in vitro metabolic fingerprinting[J]. J Nutr, 2003, 133(10): 3 080-3 084.
[29] Bollard M E, Xu J S, Purcell W, Griffin J L, Quirk C, Holmes E, Nicholson J K. Metabolic profiling of the effects of D-galactosamine in liver spheroids using H-1 NMR and MAS-NMR spectroscopy[J]. Chem Res Toxicol, 2002, 15(11): 1 351-1 359.
[30] Tang H R, Wang Y L, Nicholson J K, Lindon J C. Use of relaxation-edited one-dimensional and two dimensional nuclear magnetic resonance spectroscopy to improve detection of small metabolites in blood plasma[J]. Anal Biochem, 2004, 325(2): 260-272.
[31] Liu M, Farrant R D, Nicholson J K, Lindon J C. Selective detection of 1H NMR resonances of (Chn)-C-13 groups using 2-dimensional maximum-quantum correlation spectroscopy[J]. J Magn Reson Ser A, 1995, 112(2): 208-219.
[32] Liu M, Farrant R D, Nicholson J K, Lindon J C. Selective detection of 1H NMR resonances of chn groups using a heteronuclear maximum-quantum filter and pulsed-field gradients[J]. J Magn Reson Ser B, 1995, 106(3): 270-278.
[33] Lindon J C, Nicholson J K, Wilson I D. Directly coupled HPLC-NMR and HPLC-NMR-MS in pharmaceutical research and development[J]. J Chromatogr B, 2000, 748(1): 233-258.
[34] Lindon J C, Holmes E, Nicholson J K. Pattern recognition methods and applications in biomedical magnetic resonance[J]. Prog Nucl Magn Reson Spectrosc, 2001, 39 (1): 1-40.
[35] Antti H, Bollard M E, Keun H C, Ebbels T M D, Beckonert O, Lindon J C, Nicholson J K, Holmes E. The Analyst, In press.
[36] Wold S, Trygg J, Berglund A, Antti H. Some recent developments in PLS modeling[J]. Chemometrics Intell Lab Syst, 2001, 58(2): 131-150.
[37] Holmes E, Nicholson J K, Tranter G. Metabonomic characterization of genetic variations in toxicological and metabolic responses using probabilistic neural networks[J]. Chem Res Toxicol, 2001, 14(2): 182-191.
[38] Farrant R D, Lindon J C, Rahr E, Sweatman B C. An automatic data reduction and transfer method to aid pattern-recognition analysis and classification of NMR-spectra[J]. J Pharm Biomed Anal, 1992, 10(2-3): 141-144.
[39] Brown T R, Stoyanova R. NMR spectral quantitation by principal-component analysis.2. Determination of frequency and phase shifts[J]. J Magn Reson Ser B, 1996, 112(1): 32-43.
[40] Stoyanova R, Nicholls A W, Nicholson J K, Lindon J C, Brown T R. Automatic alignment of individual peaks in large high-resolution spectral data sets[J]. J Magn Reson, 2004, 170(2): 29-335.
[41] Cloarec O, Dumas M E, Trygg J, Craig A, Barton R H, Lindon J C, Nicholson J K, Holmes E. Evaluation of the orthogonal projection on latent structure model limitations caused by chemical shift variability and improved visualization of biomarker changes in H-1 NMR spectroscopic metabonomic studies[J]. Anal Chem, 2005, 77 (2): 17-526.
[42] Lindon J C, Holmes E, Bollard M E, Stanley E G, Nicholson J K. Metabonomics technologies and their applications in physiological monitoring, drug safety assessment and disease diagnosis[J]. Biomarkers, 2004, 9(1): 1-31.
[43] Bollard M E, Stanley E G, Lindon J C, Nicholson J K, Holmes E. NMR-based metabonomic approaches for evaluating physiological influences on biofluid composition[J]. NMR Biomed, 2005, 18(3) : 43-162.
[44] Holmes E, Foxall P J D, Nicholson J K, Neild G H, Brown S M, Beddell C R, Sweatman B C, Rahr E, Lindon J C, Spraul M, Neidig P. Automatic data reduction and pattern-recognition methods for analysis of H-1 nuclear-magnetic-resonance spectra of human urine from normal and pathological states[J]. Anal Biochem, 1994, 220(2): 284-296.
[45] Robertson D G, Reily M D, Lindon J C, Holmes E, Nicholson J K. Metabonomic technology as a tool for rapid throughput in vivo toxicity screening[J]. Comprehensive Toxicol, 2002, 14: 583-610.
[46] Griffin J L, Walker L A, Garrod S, Holmes E, Shore R F, Nicholson J K. NMR spectroscopy based metabonomic studies on the comparative biochemistry of the kidney and urine of the bank vole (Clethrionomys glareolus), wood mouse (Apodemus sylvaticus), white toothed shrew (Crocidura suaveolens) and the laboratory rat[J]. Comp Biochem Physiol B-Biochem Mol Biol, 2000, 127(3): 357-367.
[47] Holmes E, Bonner F W, Nicholson J K. Comparative biochemical effects of low doses of mercury II chloride in the F344 rat and the multimammate mouse (Mastomys natalensis)[J]. Comp Biochem Physiol C-Pharmacol Toxicol Endocrinol, 1996, 114(1): 7-15.
[48] Gavaghan C L, Holmes E, Lenz E, Wilson I D, Nicholson J K. An NMR-based metabonomic approach to investigate the biochemical consequences of genetic strain differences: application to the C57BL10J and Alpk: ApfCD mouse[J]. FEBS Lett, 2000, 484(3): 169-174.
[49] Bundy J G, Spurgeon D J, Svendsen C, Hankard P K, Osborn D, Lindon J C, Nicholson J K. Earthworm species of the genus Eisenia can be phenotypically differentiated by metabolic profiling[J]. FEBS Lett, 2002, 521(1-3): 115-120.
[50] Griffin J L, Williams H J, Sang E, Clarke K, Rae C, Nicholson J K. Metabolic profiling of genetic disorders: A multitissue H-1 nuclear magnetic resonance spectroscopic and pattern recognition study into dystrophic tissue[J]. Anal Biochem, 2001, 293(1): 16-21.
[51] Bollard M E, Holmes E, Lindon J C, Mitchell S C, Branstetter D, Zhang W, Nicholson J K. Investigations into biochemical changes due to diurnal variation and estrus cycle in female rats using high-resolution H-1 NMR spectroscopy of urine and pattern recognition[J]. Anal Biochem, 2001, 295(2): 194-202.
[52] Solanky K S, Bailey N J C, Holmes E, Lindon J C, Davis A L, Mulder T P J, Van Duynhoven J P M, Nicholson, J K. NMR-based metabonomic studies on the biochemical effects of epicatechin in the rat[J]. J Agric Food Chem, 2003, 51(14): 4 139-4 145.
[53] Gavaghan C L, Nicholson J K, Connor S C, Wilson I D, Wright B, Holmes E. Directly coupled high-performance liquid chromatography and nuclear magnetic resonance spectroscopic with chemometric studies on metabolic variation in Sprague-Dawley rats[J]. Anal Biochem, 2001, 291(2): 245-252.
[54] Nicholls A W, Mortishire-Smith R J, Nicholson J K. NMR spectroscopic-based metabonomic studies of urinary metabolite variation in acclimatizing germ-free rats[J]. Chem Res Toxicol, 2003, 16(11): 1 395-1 404.
[55] Fung M, Thornton A, Mybeck K, Wu J H-H, Hornbuckle K, Muniz E. Evaluation of the characteristics of safety withdrawal of prescription drugs from worldwide pharmaceutical markets, 1960-1999[J]. Drug Info J, 2001, 35(1): 293-317.
[56] Lindon J C, Holmes E, Nicholson J K. Toxicological applications of magnetic resonance[J]. Prog Nucl Magn Reson Spectrosc, 2004, 45(1-2): 109-143.
[57] Gartland K P R, Sanins S M, Nicholson J K, Sweatman B C, Beddell C R, Lindon J C. Pattern recognition analysis of high resolution 1H NMR spectra of urine. A nonlinear mapping approach to the classification of toxicological data[J]. NMR Biomed, 1990, 3(4): 166-172.
[58] Holmes E, Nicholls A W, Lindon J C, Ramos S, Spraul M, Neidig P, Connor S C, Connelly J, Damment S J P, Haselden J, Nicholson J K. Development of a model for classification of toxin-induced lesions using H-1 NMR spectroscopy of urine combined with pattern recognition[J]. NMR Biomed, 1998, 11(4-5): 235-244.
[59] Holmes E, Nicholson J K, Nicholls A W, Lindon J C, Connor S C, Polley S, Connelly J. The identification of novel biomarkers of renal toxicity using automatic data reduction techniques and PCA of proton NMR spectra of urine[J]. Chemometrics Intell Lab Syst, 1998, 44(1-2): 245-255.
[60] Lindon J C, Nicholson J K, Holmes E, Antti H, Bollard M E, Keun H, Beckonert O, Ebbels T M, Reilly M D, Robertson D, Stevens G J, Luke P, Breau A P, Cantor G H, Bible R H, Niederhauser U, Senn H, Schlotterbeck G, Sidelmann U G, Laursen S M, Tymiak A, Car B D, Lehman-McKeeman L, Colet J M, Loukaci A, Thomas C. Contemporary issues in toxicology The role of metabonomics in toxicology and its evaluation by the COMET project[J]. Toxicol Appl Pharmacol, 2003, 187(3): 137-146.
[61] Keun H C, Ebbels T M D, Antti H, Bollard M E, Beckonert O, Schlotterbeck G, Senn H, Niederhauser U, Holmes E, Lindon J C, Nicholson J K. Analytical reproducibility in H-1 NMR-based metabonomic urinalysis[J]. Chem Res Toxicol, 2002, 15(11): 1 380-1 386.
[62] Keun H C, Beckonert O, Griffin J L, Richter C, Moskau D, Lindon J C, Nicholson J K. Cryogenic probe C-13 NMR spectroscopy of urine for metabonomic studies[J]. Anal Chem, 2002, 74(17): 4 588-4 593.
[63] Ebbels T, Keun H, Beckonert O, Antti H, Bollard M, Holmes E, Lindon J, Nicholson J. Toxicity classification from metabonomic data using a density superposition approach: ‘CLOUDS’[J]. Anal Chim Acta, 2003, 490(1-2): 109-122.
[64] Moolenaar S H, Engelke U F H, Wevers R A. Proton nuclear magnetic resonance spectroscopy of body fluids in the field of inborn errors of metabolism[J]. Ann Clin Biochem, 2003, 40: 16-24.
[65] Maxwell R J, Martinez-Perez I, Cerdan S, Cabanas M E, Arus C, Moreno A, Capdevila A, Ferrer E, Bartomeus F, Aparicio A, Conesa G, Roda J M, Carceller F, Pascual J M, Howells S L, Mazucco R, Griffiths J R. Pattern recognition analysis of H-1 NMR spectra from perchloric acid extracts of human brain tumor biopsies[J]. Magn Reson Med, 1998, 39(6): 869-877.
[66] Tomlins A M, Foxall P J D, Lindon J C, Lynch M J, Spraul M, Everett J R, Nicholson J K. High resolution magic angle spinning H-1 nuclear magnetic resonance analysis of intact prostatic hyperplastic and tumour tissues[J]. Anal Commun, 1998, 35(3): 113-115.
[67] Swanson M G, Vigneron D B, Tabatabai Z L, Males R G, Schmitt L, Carroll P R, James J K, Hurd R E, Kurhanewicz J. Proton HR-MAS spectroscopy and quantitative pathologic analysis of MRI/3D-MRSI-targeted postsurgical prostate tissues[J]. Magn Reson Med, 2003, 50(5): 944-954.
[68] Moka D, Vorreuther R, Schicha H, Spraul M, Humpfer E, Lipinski M, Foxall P J D, Nicholson J K, Lindon J C. Biochemical classification of kidney carcinoma biopsy samples using magic-angle-spinning H-1 nuclear magnetic resonance spectroscopy[J]. J Pharm Biomed Anal, 1998, 17(1): 125-132.
[69] Cheng L L, Chang I W, Smith B L, Gonzalez R G. Evaluating human breast ductal carcinomas with high-resolution magic-angle spinning proton magnetic resonance spectroscopy[J]. J Magn Reson, 1998, 135(1): 194-202.
[70] Sitter B, Sonnewald U, Spraul M, Fjosne H E, Gribbestad I S. High-resolution magic angle spinning MRS of breast cancer tissue[J]. NMR Biomed, 2002, 15(5): 327-337.
[71] Cheng L L, Chang I W, Louis D N, Gonzalez R G. Correlation of high-resolution magic angle spinning proton magnetic resonance spectroscopy with histopathology of intact human brain tumor specimens[J]. Cancer Res, 1998, 58(9): 1 825-1 832.
[72] Barton S J, Howe F A, Tomlins A M, Cudlip S A, Nicholson J K, Bell B A, Griffiths J R. Comparison of in vivo 1H MRS of human brain tumours with 1H HR-MAS spectroscopy of intact biopsy samples in vitro[J]. MAGMA, 1999, 8(2): 121-128.
[73] ′t Hart B A, Vogels J, Spijksma G, Brok H P M, Polman C, van der Greef J. H-1-NMR spectroscopy combined with pattern recognition analysis reveals characteristic chemical patterns in urines of MS patients and non-human primates with MS-like disease[J]. J Neurol Sci Nicholson, 2003, 212(1-2):21-30.
[74] Brindle J T, Antti H, Holmes E, Tranter G, Nicholson J K, Bethell H W L, Clarke S, Schofield P M, McKilligin E, Mosedale D E, Grainger D J. Rapid and noninvasive diagnosis of the presence and severity of coronary heart disease using H-1-NMR-based metabonomics[J]. Nature Med, 2002, 8(12):1 439-1 444.
[75] Phalaraksh C, Lenz E M, Lindon J C, Nicholson J K, Farrant R D, Reynolds S E, Wilson I D, Osborn D, Weeks J M. NMR spectroscopic studies on the haemolymph of the tobacco hornworm, Manduca sexta: assignment of H-1 and C-13 NMR spectra[J]. Insect Biochem Mol Biol, 1999, 29(9):795-805.
[76] Bundy J G, Lenz E M, Bailey N J, Gavaghan C L, Svendsen C, Spurgeon D, Hankard P K, Osborn D, Weeks J A, Trauger S A. Metabonomic assessment of toxicity of 4-fluoroaniline, 3,5-difluoroaniline and 2-fluoro-4-methylaniline to the earthworm Eisenia veneta (Rosa): Identification of new endogenous biomarkers[J]. Environ Toxicol Chem, 2002, 21(9):1 966-1 972.
[77] Griffin J L, Walker L A, Shore R F, Nicholson J K. High-resolution magic angle spinning H-1-NMR spectroscopy studies on the renal biochemistry in the bank vole (Clethrionomys glareolus) and the effects of arsenic (As3+) toxicity[J]. Xenobiotica, 2001, 31(6):377-385.
[78] Viant M R, Rosenblum E S, Tjeerdema R S. NMR-based metabolomics: A powerful approach for characterizing the effects of environmental stressors on organism health[J]. Environ Sci Technol, 2003, 37(21):4 982-4 989.
[79] Waters N J, Holmes E, Williams A, Waterfield C J, Farrant R D, Nicholson J K. NMR and pattern recognition studies on the time-related metabolic effects of alpha-naphthylisothiocyanate on liver, urine, and plasma in the rat: An integrative metabonomic approach[J]. Chem Res Toxicol, 2001, 14(10):1 401-1 412.
[80] Coen M, Ruepp S U, Lindon J C, Nicholson J K, Pognan F, Lenz E M, Wilson I D. Integrated application of transcriptomics and metabonomics yields new insight into the toxicity due to paracetamol in the mouse[J]. J Pharm Biomed Anal, 2004, 35(1):93-105. |