Semiautomated Alignment of High-Throughput Metabolite Profiles with Chemometric Tools
Joint Authors
Mok, Daniel Kam-wah
Wu, Ze-ying
Zeng, Zhong-da
Xiao, Zi-dan
Liang, Yi-zeng
Chau, Foo-tim
Chan, Hoi-yan
Source
Journal of Analytical Methods in Chemistry
Issue
Vol. 2017, Issue 2017 (31 Dec. 2017), pp.1-9, 9 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2017-01-12
Country of Publication
Egypt
No. of Pages
9
Main Subjects
Abstract EN
The rapid increase in the use of metabolite profiling/fingerprinting techniques to resolve complicated issues in metabolomics has stimulated demand for data processing techniques, such as alignment, to extract detailed information.
In this study, a new and automated method was developed to correct the retention time shift of high-dimensional and high-throughput data sets.
Information from the target chromatographic profiles was used to determine the standard profile as a reference for alignment.
A novel, piecewise data partition strategy was applied for the determination of the target components in the standard profile as markers for alignment.
An automated target search (ATS) method was proposed to find the exact retention times of the selected targets in other profiles for alignment.
The linear interpolation technique (LIT) was employed to align the profiles prior to pattern recognition, comprehensive comparison analysis, and other data processing steps.
In total, 94 metabolite profiles of ginseng were studied, including the most volatile secondary metabolites.
The method used in this article could be an essential step in the extraction of information from high-throughput data acquired in the study of systems biology, metabolomics, and biomarker discovery.
American Psychological Association (APA)
Wu, Ze-ying& Zeng, Zhong-da& Xiao, Zi-dan& Mok, Daniel Kam-wah& Liang, Yi-zeng& Chau, Foo-tim…[et al.]. 2017. Semiautomated Alignment of High-Throughput Metabolite Profiles with Chemometric Tools. Journal of Analytical Methods in Chemistry،Vol. 2017, no. 2017, pp.1-9.
https://search.emarefa.net/detail/BIM-1170360
Modern Language Association (MLA)
Wu, Ze-ying…[et al.]. Semiautomated Alignment of High-Throughput Metabolite Profiles with Chemometric Tools. Journal of Analytical Methods in Chemistry No. 2017 (2017), pp.1-9.
https://search.emarefa.net/detail/BIM-1170360
American Medical Association (AMA)
Wu, Ze-ying& Zeng, Zhong-da& Xiao, Zi-dan& Mok, Daniel Kam-wah& Liang, Yi-zeng& Chau, Foo-tim…[et al.]. Semiautomated Alignment of High-Throughput Metabolite Profiles with Chemometric Tools. Journal of Analytical Methods in Chemistry. 2017. Vol. 2017, no. 2017, pp.1-9.
https://search.emarefa.net/detail/BIM-1170360
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1170360