摘要
采用Glew-Hildebrand饱和技术，应用高效液相色谱法和人工神经网络技术，实验测得氧氟沙星、诺氟沙星和吡哌酸在不同温度水溶液中的溶解度，应用化工热力学理论，提出溶解度模型，用实验和文献数据作了检验．通过扩展增广距离矩阵,提出能表征杂原子、多重键和复杂环的化合物分子结构的新的分子拓扑指数，由实测3种喹诺酮类药物的溶解度数据,得到分子结构-溶解度定量相关模型．据此模型预报氟罗沙星（Fleroxacin)等9种喹诺酮类新药在25℃和37℃时的溶解度，与实验值符合良好．
With Glew-Hildebrand saturation technique,aqueous solubilities of Ofloxacin.Nor floxacin and Pipemidic acid are measured at different temperatures by HPLC and artificial neural network technique,respectively.Given to the solubilities of quinolone medicines,a solubility model is proposed by using chemical engineering thermodynamic theory.This model is veritied by experimental and reference data.A new molecular topological index is proposed with extensive distance atrix,which can describe the molecular structures of hetero-atom,multi-bonds and comp1ex-cycle compounds.Finally,the a mode1 relating solubility to molecular structure is ob tained by using the experimental solubility data of these three kinds of uinolones.Based on this model,the solubilities of nine quinolones,such as Fleroxacin,at 25℃ and 37℃ are predicted and the results are in good agreement with experimental data．
出处
《化工学报》
EI
CAS
CSCD
北大核心
1996年第5期615-620,共6页
CIESC Journal
