Trends in data processing of comprehensive two-dimensional chromatography: State of the art

被引:50
作者
Matos, Joao T. V.
Duarte, Regina M. B. O.
Duarte, Armando C. [1 ]
机构
[1] Univ Aveiro, CESAM, P-3810193 Aveiro, Portugal
来源
JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES | 2012年 / 910卷
关键词
Comprehensive two-dimensional chromatography; Multidimensional separations; Chemometrics; Peak detection; Resolution; Data treatment; FLIGHT MASS-SPECTROMETRY; GC-TOFMS DATA; GAS-CHROMATOGRAPHY; LIQUID-CHROMATOGRAPHY; CHEMOMETRIC ANALYSIS; PEAK-DETECTION; QUANTITATIVE-ANALYSIS; SPECTRAL SIMILARITY; LOCATING ANALYTES; COMPLEX-MIXTURES;
D O I
10.1016/j.jchromb.2012.06.039
中图分类号
Q5 [生物化学];
学科分类号
071010 ; 081704 ;
摘要
The operation of advanced chromatographic systems, namely comprehensive two-dimensional (2D) chromatography coupled to multidimensional detectors, allows achieving a great deal of data that need special care to be processed in order to characterize and quantify as much as possible the analytes under study. The aim of this review is to identify the main trends, research needs and gaps on the techniques for data processing of multidimensional data sets obtained from comprehensive 2D chromatography. The following topics have been identified as the most promising for new developments in the near future: data acquisition and handling, peak detection and quantification, measurement of overlapping of 2D peaks, and data analysis software for 2D chromatography. The rational supporting most of the data processing techniques is based on the generalization of one-dimensional (1D) chromatography although algorithms, such as the inverted watershed algorithm, use the 2D chromatographic data as such. However, for processing more complex N-way data there is a need for using more sophisticated techniques. Apart from using other concepts from 1D chromatography, which have not been tested for 2D chromatography, there is still room for new improvements and developments in algorithms and software for dealing with 2D comprehensive chromatographic data. (c) 2012 Elsevier B.V. All rights reserved.
引用
收藏
页码:31 / 45
页数:15
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