NDLI: Nonlinear alignment of chromatograms by means of moving window fast Fourier transfrom cross-correlation.

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Nonlinear alignment of chromatograms by means of moving window fast Fourier transfrom cross-correlation.

Content Provider	World Health Organization (WHO)-Global Index Medicus
Author	Li, Zhong Wang, Jia-Jun Huang, Jing Zhang, Zhi-Min Lu, Hong-Mei Zheng, Yi-Bao Zhan, De-Jian Liang, Yi-Zeng
Description	Author Affiliation: Li Z ( Yunnan Academy of Tobacco Science, Kunming, PR China.)
Abstract	The preprocessing of chromatograms is essential to modern chromatography for further qualitative and quantitative analysis, especially when chromatographic instruments are used for herb products analysis involving large number of samples. To accurately compare and analyze the obtained chromatograms, it is necessary to preprocess, especially align retention time shifts. Here moving window fast Fourier transform (FFT) cross-correlation is introduced to perform nonlinear alignment of high-throughput chromatograms. Since elution characteristics of chromatograms will produce local similarity in retention time shifts, moving window procedure seems to be a better substitute of segmentation steps. The retention time shifts can be calculated and accelerated by FFT cross-correlation. The artifacts can be detected and eliminated from the retention time shifts profile since the continuity of moving window procedure. The proposed method is demonstrated in comparison with recursive alignment by FFT on chromatographic datasets from herb products analysis. It is shown that the proposed method can address nonlinear retention time shift problem in chromatograms with the simple moving window procedure, which will not introduce segments size optimization problem. In additional, the parameters are intuitive and easy to adjust, which makes it off-the-shelf toolbox for alignment of chromatograms.
File Format	HTM / HTML
ISSN	16159306
Issue Number	9-10
Journal	Journal of Separation Science
Volume Number	36
e-ISSN	16159314
Language	English
Publisher	Wiley-VCH
Publisher Date	2013-05-01
Publisher Place	Germany
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Discipline Analytical Discipline Chemistry Chromatography Instrumentation Methods Drugs, Chinese Herbal Analysis Fourier Analysis Journal Article Research Support, Non-u.s. Gov't
Content Type	Text
Resource Type	Article
Subject	Analytical Chemistry Filtration and Separation

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