title: Chemometric strategy for automatic chromatographic peak detection and background drift correction in chromatographic data.
abstract: Peak detection and background drift correction (BDC) are the key stages in using chemometric methods to analyze chromatographic fingerprints of complex samples. This study developed a novel chemometric strategy for simultaneous automatic chromatographic peak detection and BDC. A robust statistical method was used for intelligent estimation of instrumental noise level coupled with first-order derivative of chromatographic signal to automatically extract chromatographic peaks in the data. A local curve-fitting strategy was then employed for BDC. Simulated and real liquid chromatographic data were designed with various kinds of background drift and degree of overlapped chromatographic peaks to verify the performance of the proposed strategy. The underlying chromatographic peaks can be automatically detected and reasonably integrated by this strategy. Meanwhile, chromatograms with BDC can be precisely obtained. The proposed method was used to analyze a complex gas chromatography dataset that monitored quality changes in plant extracts during storage procedure.
authors.affiliation: Zhengzhou Tobacco Research Institute of CNTC, Zhengzhou 450001, China. Electronic address: yongjie.yu@163.com.
authors.forename: Yong-Jie
authors.initials: YJ
authors.lastname: Yu
authors.affiliation: Zhengzhou Tobacco Research Institute of CNTC, Zhengzhou 450001, China.
authors.forename: Qiao-Ling
authors.initials: QL
authors.lastname: Xia
authors.affiliation: Zhengzhou Tobacco Research Institute of CNTC, Zhengzhou 450001, China.
authors.forename: Sheng
authors.initials: S
authors.lastname: Wang
authors.affiliation: Zhengzhou Tobacco Research Institute of CNTC, Zhengzhou 450001, China.
authors.forename: Bing
authors.initials: B
authors.lastname: Wang
authors.affiliation: Zhengzhou Tobacco Research Institute of CNTC, Zhengzhou 450001, China.
authors.forename: Fu-Wei
authors.initials: FW
authors.lastname: Xie
authors.affiliation: Zhengzhou Tobacco Research Institute of CNTC, Zhengzhou 450001, China.
authors.forename: Xiao-Bing
authors.initials: XB
authors.lastname: Zhang
authors.affiliation: Leiyang Tobacco Branch of Hengyang Tobacco Co., Leiyang 421800, China.
authors.forename: Yun-Ming
authors.initials: YM
authors.lastname: Ma
authors.affiliation: State Key Laboratory of Chemo/Biosensing and Chemometrics, College of Chemistry and Chemical Engineering, Hunan University, Changsha 410082, China. Electronic address: hlwu@hnu.edu.cn.
authors.forename: Hai-Long
authors.initials: HL
authors.lastname: Wu
mesh_terms: D002849:Chromatography, Gas / Q000295:instrumentation*; D002853:Chromatography, Liquid / Q000295:instrumentation*; D003627:Data Interpretation, Statistical
keywords: Automatic chromatographic peak detection; Background drift correction; Chemometrics