| Project/Area Number |
26410153
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Multi-year Fund |
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| Section | 一般 |
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| Research Field |
Analytical chemistry
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| Research Institution | Kobe University |
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Principal Investigator |
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| 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)
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| Project Period (FY) |
2014-04-01 – 2017-03-31
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| Project Status |
Completed (Fiscal Year 2016)
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| Budget Amount *help |
¥5,070,000 (Direct Cost: ¥3,900,000、Indirect Cost: ¥1,170,000)
Fiscal Year 2016: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2015: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2014: ¥2,210,000 (Direct Cost: ¥1,700,000、Indirect Cost: ¥510,000)
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| 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 / イオン移動ボルタンメトリー / 膜透過 |
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| 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.
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