期刊
JOURNAL OF MAGNETIC RESONANCE
卷 278, 期 -, 页码 1-7出版社
ACADEMIC PRESS INC ELSEVIER SCIENCE
DOI: 10.1016/j.jmr.2017.03.004
关键词
NMR; Diffusion-ordered spectroscopy; Simultaneous inversion of Laplace transform; Low rank
资金
- National Major Basic Research Program of China [2013CB910200]
- National Natural Science Foundation of China [21120102038, 21675170, 81227902, 21475146, 21221064, 21505153]
- K.C. Wong Educational Foundation
2D diffusion-ordered NMR spectroscopy (DOSY) has been widely recognized as a powerful tool for analyzing mixtures and probing inter-molecular interactions in situ. But it is difficult to differentiate molecules with similar diffusion coefficients in presence of overlapped spectra. Its performance is susceptible to the number of chemical components, and usually gets worse when the number of components increases. Here, to alleviate the problem, numerical simultaneous inversion of Laplace transform (SILT) of many related variables is proposed for reconstructing DOSY spectrum (SILT-DOSY). The advantage of the proposed method in comparison to other methods is that it is capable of estimating the number of analytes more accurately and deriving corresponding component spectra, which in turn leads to the more reliable identification of the components. (C) 2017 Elsevier Inc. All rights reserved.
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