高等学校化学学报 ›› 2003, Vol. 24 ›› Issue (2): 241.

• 论文 • 上一篇    下一篇

直观推导式演进特征投影法在拖尾重叠色谱峰解析中的应用

亓云鹏1, 吴玉田1, 李通化2, 柴逸峰1, 王彬3, 张国庆3   

  1. 1. 第二军医大学药学院药物分析教研室, 上海 200433;
    2. 同济大学化学系, 上海 200092;
    3. 第二军医大学东方肝胆外科医院药材科, 上海 200438
  • 收稿日期:2001-11-06 出版日期:2003-02-24 发布日期:2003-02-24
  • 通讯作者: 吴玉田(1943年出生),男,教授,博士生导师,从事药物分析及化学计量学研究.E-mail:yunpengqi.smmu@sina.com E-mail:yunpengqi.smmu@sina.com
  • 基金资助:

    中国人民解放军“十五”重点课题(批准号:01Z064)资助

Application of Heuristic Evolving Latent Projection(HELP) in the Resolution of Tailing Coeluting Chromatograms

QI Yun-Peng1, WU Yu-Tian1, LI Tong-Hua2, CHAI Yi-Feng1, WANG Bin3, ZHANG Guo-Qing3   

  1. 1. Department of Pharmaceutical Analysis, School of Pharmacy, Second Military Medical University, Shanghai 200433, China;
    2. Department of Chemistry, Tongji University, Shanghai 200092, China;
    3. Department of Pharmacy, Eastern Hospital of Hepatobiliary Surgery, Second Military Medical University, Shanghai 200438, China
  • Received:2001-11-06 Online:2003-02-24 Published:2003-02-24

摘要: 直观推导式演进特征投影法(HELP)已成功应用于复杂体系的重叠色谱峰解析.当色谱峰拖尾时,演进特征投影图(ELPG)显示的直线段对应的区域中可能含有前面拖尾组分的信息,据此进行HELP解析可能得不到满意结果.选择ELPG上直线段的一部分,即拖尾组分末端,前面组分的信息已基本消失的区域作为选择性区域进行HELP解析.同时,提出一种新的定量方法:用主成分分析法(PCA)分解待测组分标准样品的二维数据,将得到的“标准”色谱引入HELP的定量过程,在色谱峰拖尾或解得谱峰不平滑时,得到更准确的结果.用HELP方法解析了依诺沙星、诺氟沙星和环丙沙星三组分实验体系,结果表明,加入上述措施的HELP可有效改善拖尾重叠色谱峰的解析结果.

关键词: 直观推导式演进特征投影法, 主成分分析法, 重叠色谱峰, 拖尾, 化学计量学

Abstract: Heuristic evolving latent projection(HELP) has been successfully applied in the resolution of coeluting chromatograms of the complicated systems. When the chromatogram tails, the selective region shown by the evolving latent projection graph(ELPG) may contain the information of the prior tailing components, on which unsatisfactory results may be obtained by using HELP. In this work, a region near the end of the tailing component, where the prior components have almost disappeared was chosen as the selective region; at the same time, a new quantitative method was presented: 2D data of the determined component was decomposed by principle component analysis(PCA), and the standard chromatogram will be induced into quantitation. An experimental system composed of enoxacin, norfloxacin and ciprofloxacin was resolved by HELP. It was shown that the HELP used can improve the resolution of tailing coeluting chromatograms greatly and give satisfactory quantitative results.

Key words: Heuristic evolving latent projection(HELP), Principle component analysis(PCA), Coeluting chromatograms, Tailing, Chemometrics

中图分类号: 

TrendMD: