Chemometric analysis of NMR spectroscopy data: A review

被引：45

作者：

Alam, TM ^{[1
]}

Alam, MK

机构：

[1] Sandia Natl Labs, Dept Organ Mat, Albuquerque, NM 87008 USA

[2] Sandia Natl Labs, Dept Chem & Biol Sensing Imaging & Anal, Albuquerque, NM 87008 USA

来源：

ANNUAL REPORTS ON NMR SPECTROSCOPY, VOL 54 | 2005年 / 54卷

关键词：

D O I：

10.1016/S0066-4103(04)54002-4

中图分类号：

O433 [光谱学];

学科分类号：

0703 ; 070302 ;

摘要：

The application of chemometric or multivariate analysis techniques to nuclear magnetic resonance (NMR) spectroscopic data is reviewed. Descriptions of the different processing and data manipulation procedures being utilized to produce reproducible input data sets for chemometric analysis are discussed. A brief review of some of the standard supervised and unsupervised chemometric classification methods as applied to NMR data is presented. The application of spectral resolution algorithms in the decomposition of NMR data to obtain pure component spectra and concentrations is also described. Specific examples of the use of chemometrics in NMR for a wide range of different fields are presented. The limitations, advantages and future directions of chemometric analysis in NMR are also discussed.

引用

页码：41 / 80

页数：40

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