Net analyte signal based two-dimensional (NAS 2D) correlation near infrared spectroscopy

被引：2

作者：

Geng, Ying ^{[1
]}

Xiang, Bingren ^{[1
]}

机构：

[1] China Pharmaceut Univ, Ctr Instrumental Anal, Key Lab Drug Qual Control & Pharmacovigilance, Minist Educ, Nanjing 210009, Peoples R China

来源：

JOURNAL OF MOLECULAR STRUCTURE | 2010年 / 974卷 / 1-3期

关键词：

Net analyte signal; Two-dimensional correlation spectroscopy; Near infrared spectroscopy; Sinomenine Hydrochloride; MANIPULATION TRANSFORMATION EMT; PRINCIPAL COMPONENT ANALYSIS; PARTIAL LEAST-SQUARES; MULTIVARIATE CALIBRATION; PREPROCESSING METHODS; WAVELENGTH SELECTION; FIGURES; MERIT;

D O I：

10.1016/j.molstruc.2010.03.023

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

A new method of analysis, based on the net analyte signal presented by Lorber is proposed for the two-dimensional correlation near infrared spectroscopy. A spectra data set under the static perturbation of concentration was collected. NAS is manipulated for removing the information that was unrelated to a certain analyte. To demonstrate the potential of NAS 2D correlation spectroscopy, a set of concentration-dependent near infrared spectra of Sinomenine Hydrochloride in methanol was used as an example. The results show that NAS 2D, reconstructed from a series of principal factors can extract more subtle and useful spectra features, and make the band assignment explicable for structure analysis. (C) 2010 Elsevier B.V. All rights reserved.

引用

页码：173 / 178

页数：6

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