| [1] Jacob D, Deborde C, Moing A. An efficient spectra processing method for metabolite identification from 1H NMR metabolomics data[J]. Anal Bioanal Chem, 2013, 405(15): 5 049－5 061.[2] DeHaven C, Evans A M, Dai H, et al. Software techniques for enabling high throughput[J]. Metabolomics. InTech, Rijeka, 2012: 167－192.[3] Larsen F H, van den Berg F, Engelsen S B. An exploratory chemometric study of 1H NMR spectra of table wines[J]. J Chemom, 2006, 20(5): 198－208.[4] 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.[5] Yao J W, An Y P, Long J, et al. NMR analysis of metabonomic fingerprints and footprints of HepG2 cells[J]. Chinese J Magn Reson, 2013, 30(4): 488－498.[6] Chen L, Song K, Wang Y L. Effects of attenuated salmonella typhimurium infection on fecal metabonome in mice—comparison between WIPM and Bruker 500 MHz NMR spectrometers[J]. Chinese J Magn Reson, 2014, 31(3): 349－363.[7] Savorani F, Tomasi G, Engelsen S B. icoshift: A versatile tool for the rapid alignment of 1D NMR spectra[J]. J Magn Reson, 2010, 202(2): 190－202.[8] Brekke T, Kvalheim O M, Sletten E. Prediction of physical properties of hydrocarbon mixtures by partial-least-squares calibration of carbon-13 nuclear magnetic resonance data[J]. Anal Chim Acta, 1989, 223(0): 123－134.[9] Wishart D S. Quantitative metabolomics using NMR[J]. TRAC Trends Anal Chem, 2008, 27(3): 228－237.[10] Forshed J, Schuppe-Koistinen I, Jacobsson S P. Peak alignment of NMR signals by means of a genetic algorithm[J]. Anal Chim Acta, 2003, 487(2): 189－199.[11] Zhang Z M, Liang Y Z, Lu H M, et al. Multiscale peak alignment for chromatographic datasets[J]. J Chromatogr A, 2012, 1 223: 93－106.[12] Nielsen N P V. Aligning of single and multiple wavelength chromatographic profiles for chemometric data analysis using correlation optimised warping[J]. J Chromatogr A, 1998, 805: 17－35.[13] Veselkov K A, Lindon J C, Ebbels T M D, et al. Recursive segment-wise peak alignment of biological 1H NMR spectra for improved metabolic biomarker recovery[J]. Anal Chem, 2009, 81(1): 56－66.[14] Serkova N J, Niemann C U. Pattern recognition and biomarker validation using quantitative 1H NMR-based metabolomics[J]. Expert Rev Mol Diagn, 2006. 6(5): 717－731.[15] Stoyanova R, Nicholls A W, Nicholsm J K, et al. Automatic alignment of individual peaks in large high-resolution spectral data sets[J]. J Magn Reson, 2004, 170(2): 329－335.[16] Wong J W H, Durante C, Cartwright H M. Application of fast Fourier transform cross-correlation for the alignment of large chromatographic and spectral datasets[J]. Anal Chem, 2005, 77(17): 5 655－5 661.[17] Pearce J T, Athersuch T J, Ebbels T M D, et al. Robust algorithms for automated chemical shift calibration of 1D 1H NMR spectra of blood serum[J]. Anal Chem, 2008, 80(18): 7 158－7 162.[18] Serkova N. ANYL 208-Pattern Recognition and Biomarker Validation Using Quantitative 1H NMR Based Metabolomics[C]. Abstracts of Papers of the American Chemical Society, USA, 2006. 232.[19] Forshed J, Torgrip R J O, Aberg K M, et al. A comparison of methods for alignment of NMR peaks in the context of cluster analysis[J]. J Pharm Biomed Anal, 2005, 38(5): 824－832.[20] He H, Ling L D, Ling Z, et al. New algorithm for peak alignment of nuclear magnetic resonance[J]. Electro-Optic Technology Application, 2013. |
