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2016 Fiscal Year Final Research Report

A New Development of the Non-Bornian Theory of Ion-Solvation Energy

Research Project

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Project/Area Number 26410153
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Research Field Analytical chemistry
Research InstitutionKobe University

Principal Investigator

Osakai Toshiyuki  神戸大学, 理学研究科, 准教授 (30183023)

Co-Investigator(Renkei-kenkyūsha) YAMAMOTO Masahiro  甲南大学, 理工学部, 教授 (60182648)
EDA Kazuo  神戸大学, 大学院理学研究科, 准教授 (00193996)
KATANO Hajime  福井県立大学, 生物資源学部, 教授 (50264685)
Project Period (FY) 2014-04-01 – 2017-03-31
Keywords溶媒和エネルギー / 非ボルン型理論 / 液液界面 / 移動ギブズエネルギー / ボルタンメトリー / 薬剤 / 生体膜透過
Outline of Final Research Achievements

Solvation energy of ions is a key concept for understanding not only the separation-detection systems of ions, including solvent extraction, liquid chromatography, and ion sensors, but also the biomembrane transport of ions. In this study, the new ion-solvation model (non-Bornian theory), being previously developed by the representative researcher, has been applied to predict the transfer energy (ΔGtr) or adsorption energy of ions at oil/water interfaces, the dissociation exponent of acids (pKa), etc. The results showed that the ΔGtr values for various ions at the nitrobenzene/water and 1,2-dichloroethane/water interfaces could be accurately predicted by computation. In addition, a possibility was suggested for in silico prediction of biomembrane transport for ionic drugs.

Free Research Field

電気分析化学

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Published: 2018-03-22  

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