Retention Prediction in Reversed-Phase Liquid Chromatography

反相液相色谱中的保留预测

• 批准号: 60550537
• 负责人: JINNO Kiyokatsu
• 金额: $ 1.28万
• 依托单位: Toyohashi University of Technology
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for General Scientific Research (C)
• 财政年份: 1985
• 资助国家: 日本
• 起止时间: 1985 至 1986
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-60550537/
• 关键词: Liquid Chromatography; Quantitative Structure-Retention Relationships; Retention Prediction; Aromatic Compounds; PTH-Amino Acids; Amino Acids; ペプチド

The selection of satisfactory separation conditions is still a major problem in LC. At present, trial and error experiments are mostly performed in actual analysis to find the best optimal separation for the purpose. To improve this problem, the retention prediction is one of the best way. If retention of solutes can be predicted at appropriate experimental condition, optimization procedure can be more easily attained in a short time using modern computer technique.We have investigated the basic concept of retention prediction and optimization, and obtained the following successful results:1; retention prediction system for aromatic compounds, especially PAHs, has been constructed. Using this concept, a computer interactive identification system for PAHs has also been constructed. These concepts can be applied for SFC as well as LC. Total computer-assisted system has been assembled on a 16-bits microcomputer and the potential of this system was evaluated for the practical sample, where PAHs in diesel particulate matter were identified by coupling this system with microcomputer-assisted photodiode array UV multichannel detector.2; basic studies for retention prediction of PTH-amino acids has been performed and the systemization is in progress.3; basic studies for retention prediction of amino acids and peptides has been tried and the best way to establish the retention prediction system has been found.The results of this investigation can open the new dimension of LC and SFC optimization process and the separation system assisted by computer will be realized in the near future using the proposed concept.

选择满意的分离条件仍然是LC中的一个主要问题。目前，在实际分析中，大多采用试错法来寻找最佳分离效果。为了改善这一问题，保留预测是最好的方法之一。如果能在适当的实验条件下预测溶质的保留值，那么利用现代计算机技术，就能在短时间内得到最优化的过程。本文研究了保留值预测和最优化的基本概念，并取得了以下成果：1.建立了芳香族化合物，特别是多环芳烃的保留值预测系统。利用这一概念，一个多环芳烃的计算机交互式识别系统也已建成。这些概念可以应用于SFC以及LC。在16位微机上组装了一个完整的计算机辅助系统，并对该系统的潜力进行了评价，将该系统与微机辅助的光电二极管阵列紫外多道检测器耦合，用于柴油机颗粒物中多环芳烃的鉴定。2.对PTH-氨基酸保留值预测进行了基础研究，系统化工作正在进行中。对氨基酸和多肽的保留值预测进行了基础性研究，找到了建立保留值预测系统的最佳途径，为LC和SFC优化过程开辟了新的方向，并有望实现计算机辅助分离系统。

项目成果

K.Jinno and M.Kuwajima: "A Micro-computer Assisted Retention Prediction with Gradient Elution in Reversed-Phase Liquid Chromatography" Chromatographia. 21. 541-545 (1986)

K.Jinno 和 M.Kuwajima：“反相液相色谱中梯度洗脱的微机辅助保留预测”色谱。

K.Jinno: H.Parvez as the Editor, Progress in HPLC, Vol.4 V.N.U. Science Press, Holland. Computer-Assisted Separation System in Supercritical Fluid Chromatography,

K.Jinno：H.Parvez 担任编辑，Progress in HPLC，Vol.4 V.N.U.

K.Jinno: Dr. Alfred Huethig Verlag GmbH, FRG. Computer-Assisted Separation System, 250 pages (1987)

K.Jinno：Alfred Huethig Verlag GmbH 博士，西德。

K.Jinno;T.Hoshino;T.Hondo;M.Saito;M.Senda: Analytical Chemistry. 58. 2696-2699 (1986)

K.Jinno；T.Hoshino；T.Hondo；M.Saito；M.Senda：分析化学。

K.Jinno: "Progress in HPLC,vol.4.Computer-Assisted Separation System in Supercritical Fluid Chromatography" H.Parvez(Editor)V.N.U.Science Press,Holland, (1987)

K.Jinno：“HPLC 进展，第 4 卷。超临界流体色谱中的计算机辅助分离系统”H.Parvez（编辑）V.N.U.Science Press，荷兰，（1987 年）