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Aligning retention time shifts in HPLC three‐dimensional spectra by icoshift approach combined with data arrangement methods and the release of a graphical user interface
Author(s) -
Zhang XiangZhi,
Feng Na,
Ma AiJun,
Li Bao Qiong
Publication year - 2020
Publication title -
journal of separation science
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.72
H-Index - 102
eISSN - 1615-9314
pISSN - 1615-9306
DOI - 10.1002/jssc.201900791
Subject(s) - photodiode , consistency (knowledge bases) , graphical user interface , interface (matter) , chromatography , retention time , high performance liquid chromatography , computer science , interval (graph theory) , analytical chemistry (journal) , biological system , chemistry , materials science , artificial intelligence , optoelectronics , mathematics , bubble , combinatorics , maximum bubble pressure method , parallel computing , biology , programming language
High‐performance liquid chromatography coupled with photodiode array detection has been extensively applied in many fields and the peaks among the analyzed samples can be shifted due to the variations of instrumental and experimental conditions. In multivariate analysis, retention time alignment is an important pretreatment step. Hence, the shifted peaks in high‐performance liquid chromatography coupled with photodiode array detection three‐dimensional spectra should be aligned for further analysis. Being motivated by this purpose, the interval correlated shifting method combined with the proposed data arrangement methods are recommended and employed on high‐performance liquid chromatography coupled with photodiode array detection data as a demonstration. We validate the alignment performance of the proposed method through comparison the consistency of the retention time before and after alignment. The obtained results demonstrated that the proposed method is capable of successful aligning the employed data. Additionally, the interval correlated shifting method combined with the data arrangement modes is implemented in an easy‐to‐use graphical user interface environment and so can be operated easily by users not familiar with programming languages.