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| 基本情報 |
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| 氏名 |
坂根 弦太 |
| 氏名（カナ） |
ｻｶﾈ ｹﾞﾝﾀ |
| 氏名（英語） |
Sakane Genta |
| 所属 |
教育推進機構 基盤教育ｾﾝﾀｰ 科学技術教育部門 |
| 職名 |
教授 |
| researchmap研究者コード |
1000194578 |
| researchmap機関 |
岡山理科大学 |
酸解離定数
In the field of pharmacy, it is very important that the medicine can be absorbed into the body. The medicine is absorbed through a cell membrane, that has a hydrophobicity because of a lipid bilayer membrane. So the higher hydrophobic medicine can be absorbed easier. The molecular structure of the medicine can be changed by the pH value in an organ into a hydrophobic molecular-type or a hydrophilic ionic-type shapes. Therefore, the hydrophobic molecular-type medicine is easier absorbed into the body. The two types of shapes can be selected by the pKa value of the medicine. So, it is much more important that the pKa value is controlled freely as well as the designing of the efficiency of the medicine. In this study we have investigated the way how to predict a pKa value of the para-substituted phenol quantitatively and more efficiently by means of the molecular orbital calculation, in order to predict the pKa value of the medicine.
Bulletin of the Society for Discrete Variational Xα
The Society for Discrete Variational Xα
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