复杂样品分析中的化学计量学方法研究
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- 英文论文题名：Chemometric Studies for Complex Sample Analysis
- 论文作者：王翠翠 ; 杨亚非 ; 蔡文生 ; 邵学广
- 英文论文作者：Cuicui Wang ; Yafei Yang ; Wensheng Cai ; Xueguang Shao ; Research Center for Analytical Sciences ; Department of Chemistry ; Nankai University
- 年：2016
- 作者机构：南开大学化学学院分析科学研究中心;
- 论文关键词：化学计量学 ; 富集 ; 色谱 ; 近红外光谱
- 会议召开时间：2016-07-01
- 会议录名称：中国化学会第30届学术年会摘要集-第二十三分会：复杂样品分离分析
- 语种：中文
- 分类号：O651
- 学会代码：ZGHY
- 会议名称：中国化学会第30届学术年会-第二十三分会 ; 复杂样品分离分析
- 会议地点：中国辽宁大连
- 主办单位：中国化学会
- 学会名称：中国化学会
- 页数：1
- 文件大小：137k
- 原文格式：D
- 会议级别：全国
摘要
复杂体系分析一直是分析化学中具有挑战性的课题。由于高效的分离功能和高灵敏的检测功能,色谱及其联用技术在复杂体系分析中得到了广泛应用。但是,在实际复杂体系的分析中,仍存在色谱峰重叠、基线漂移以及干扰信号严重等现象。在我们的研究工作中,分别开展了基线校正、重叠信号解析与提取等工作,实现了多组分同时分析及复杂基质样本中特定组分的定量分析~([1-3])。近红外光谱用于复杂体系分析具有独特优势。但是近红外光谱信号较弱,在复杂体系分析中多组分信号严重重叠,导致近红外光谱分析的检测灵敏度较低,在微量组分分析、多组分实际复杂体系分析中仍存在亟待解决的难题。在我们的研究工作中,开展了分离富集与间接校正在近红外光谱分析中的应用研究,改善近红外光谱分析的灵敏度~([4-8])。开展了近红外光谱信息提取和改善近红外光谱模型质量的化学计量学方法研究,实现了复杂基质中微量成分的定量分析,拓宽了近红外光谱技术的应用范围。
Complex sample analysis has been a challenging problem in analytical chemistry.In our studies,chemometric methods for improving the analytical performance of chromatography and near infrared spectroscopy was developed.Wavelet transform,factor analysis,immune algorithm,etc.was used for baseline correction,resolution of overlapping signals,and extracting the information of specific components.For improving the stability of near infrared spectroscopy,preconcentration techniques was employed and chemometric methods for modeling,preprocessing,and variable selection were proposed.Sensitivity and selectivity were improved and detection of micro-components in the samples with complex matrix was achieved.
Complex sample analysis has been a challenging problem in analytical chemistry.In our studies,chemometric methods for improving the analytical performance of chromatography and near infrared spectroscopy was developed.Wavelet transform,factor analysis,immune algorithm,etc.was used for baseline correction,resolution of overlapping signals,and extracting the information of specific components.For improving the stability of near infrared spectroscopy,preconcentration techniques was employed and chemometric methods for modeling,preprocessing,and variable selection were proposed.Sensitivity and selectivity were improved and detection of micro-components in the samples with complex matrix was achieved.
引文
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[2]Li,P.;Cai,W.S.;Shao,X.G.Journal of Chemometrics,2015,29:300.
[3]Li,P.;Cai,W.S.;Shao,X.G.Journal of Chromatography A,2015,1407:203.
[4]Li,J.H.;Zhang,Y.;Cai,W.S.;Shao,X.G.Talanta 2011,84:679.
[5]Yang,Y.F.;Tu,J.R.;Cai,W.S.;Shao,X.G.Talanta 2012,99:871.
[6]Ning,Y.;Li,J.H.;Cai,W.S.;Shao,X.G.Spectrochim.Acta A 2012,96:289.
[7]Liu,Y.;Ning,Y.;Cai,W.S.;Shao,X.G.Analyst 2013,138:6617.
[8]Li,X.Y.;Xu,Z.H.;Cai,W.S.;Shao,X.G.Analytica Chimica Acta,2015,880:26.