Statistical correlation and projection methods for improved information recovery from diffusion-edited NMR spectra of biological samples
文献类型：期刊论文
| 作者 | Smith, Leon M.; Maher, Anthony D.; Cloarec, Olivier; Rantalainen, Mattias; Tang, Huiru; Elliott, Paul; Stamler, Jeremiah; Lindon, John C.; Holmes, Elaine; Nicholson, Jeremy K. |
| 刊名 | ANALYTICAL CHEMISTRY
 |
| 出版日期 | 2007-08-01 |
| 卷号 | 79期号:15页码:5682-5689 |
| 英文摘要 | Although NMR spectroscopic techniques coupled with multivariate statistics can yield much useful information for classifying biological samples based on metabolic profiles, biomarker identification remains a time-consuming and complex procedure involving separation methods, two-dimensional NMR, and other spectroscopic tools. We present a new approach to aid complex biomixture analysis that combines diffusion ordered (DO) NMR spectroscopy with statistical total correlation spectroscopy (STOCSY) and demonstrate its application in the characterization of urinary biomarkers and enhanced information recovery from plasma NMR spectra. This method relies on calculation and display of the covariance of signal intensities from the various nuclei on the same molecule across a series of spectra collected under different pulsed field gradient conditions that differentially attenuate the signal intensities according to translational molecular diffusion rates. We term this statistical diffusion-ordered spectroscopy (S-DOSY). We also have developed a new visualization tool in which the apparent diffusion coefficients from DO spectra are projected onto a 1D NMR spectrum (diffusion-ordered projection spectroscopy, DOPY). Both methods either alone or in combination have the potential for general applications to any complex mixture analysis where the sample contains compounds with a range of diffusion coefficients. |
| WOS标题词 | Science & Technology ; Physical Sciences |
| 类目[WOS] | Chemistry, Analytical |
| 研究领域[WOS] | Chemistry |
| 关键词[WOS] | MAGNETIC-RESONANCE-SPECTROSCOPY ; METHYLERYTHRITOL PHOSPHATE-PATHWAY ; PERFORMANCE LIQUID-CHROMATOGRAPHY ; HUMAN BLOOD-PLASMA ; H-1-NMR SPECTROSCOPY ; MASS-SPECTROMETRY ; MIXTURE ANALYSIS ; FIELD GRADIENT ; DATA SETS ; METABONOMICS |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000248437700038 |
| 公开日期 | 2015-10-13 |
| 源URL | [http://ir.wipm.ac.cn/handle/112942/7960]  |
| 专题 | 武汉物理与数学研究所_2011年以前论文发表（包括2011年） |
| 作者单位 | 1.Imperial Coll London, Fac Med, Dept Biomol Med, Div Surg Oncol Reprod Biol & Anaesthet, London SW7 2AZ, England 2.Chinese Acad Sci, Wuhan Ctr Magnet Resonance, Inst Phys & Math, State Key Lab Magnet Resonance & Mol Atom & Phys, Wuhan 430071, Peoples R China 3.Imperial Coll London, Fac Med, Dept Epidemiol & Publ Hlth, London W2 1PG, England 4.Northwestern Univ, Feinberg Sch Med, Dept Prevent Med, Chicago, IL 60611 USA |
| 推荐引用方式 GB/T 7714 | Smith, Leon M.,Maher, Anthony D.,Cloarec, Olivier,et al. Statistical correlation and projection methods for improved information recovery from diffusion-edited NMR spectra of biological samples[J]. ANALYTICAL CHEMISTRY,2007,79(15):5682-5689. |
| APA | Smith, Leon M..,Maher, Anthony D..,Cloarec, Olivier.,Rantalainen, Mattias.,Tang, Huiru.,...&Nicholson, Jeremy K..(2007).Statistical correlation and projection methods for improved information recovery from diffusion-edited NMR spectra of biological samples.ANALYTICAL CHEMISTRY,79(15),5682-5689. |
| MLA | Smith, Leon M.,et al."Statistical correlation and projection methods for improved information recovery from diffusion-edited NMR spectra of biological samples".ANALYTICAL CHEMISTRY 79.15(2007):5682-5689. |
入库方式： OAI收割
来源：武汉物理与数学研究所
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