Automated curve resolution applied to data from multi-detection instruments

被引：38

作者：

Shen, HL

Grung, B

Kvalheim, OM

Eide, I

机构：

[1] Univ Bergen, Dept Chem, N-5007 Bergen, Norway

[2] STATOIL, Res Ctr, N-7005 Trondheim, Norway

来源：

ANALYTICA CHIMICA ACTA | 2001年 / 446卷 / 1-2期

关键词：

multivariate resolution; curve resolution; hyphenated chromatography; HPLC-DAD; FIA-DAD; gas chromatography-mass spectrometry (GC-MS); polycyclic aromatic compounds (PAC);

D O I：

10.1016/S0003-2670(01)01268-5

中图分类号：

O65 [分析化学];

学科分类号：

070302 ; 081704 ;

摘要：

This work presents a method for automated resolution of multicomponent data. The proposed procedures corrects background, cuts the data into smaller sub matrices, and resolves complex overlapping systems without human intervention. Basic constraints on concentration and spectral profiles are defined and used for determining the number of components and for cutting complex peak clusters into smaller sub matrices. The procedures are applied to multicomponent data from high performance liquid chromatography with diode array detection (HPLC-DAD), flow injection analysis with diode array detection (FIA-DAD), and gas chromatography-mass spectrometry (GC-MS). (C) 2001 Elsevier Science B.V. All rights reserved.

引用

页码：313 / 328

页数：16

共 33 条

[1] Resolution of GC-MS data of complex PAC mixtures and regression modeling of mutagenicity by PLS [J].