中国药科大学学报Issue(5)：568-574,7.DOI:10.11665/j.issn.1000-5048.20150509
黄芩素-烟酰胺共晶结晶过程的热力学研究
Thermodynamics of baicalein-nicotinamide co-crystallization process
摘要
Abstract
Baicalein-nicotinamide(BE-NCT)co-crystal was chosen as model drug to investigate the thermody-namic characteristics.Solubilities of BE in NCT solutions in ethyl acetate at different temperatures were deter-mined in order to explain the complexation behavior of BE-NCT co-crystal.Thermodynamic parameters of co-crys-tal formation progress were calculated.Ternary phase diagrams (TPDs)of the BE-NCT-ethyl acetate systems at various temperatures were established.The non-linear fitting equation according to 1 ∶1 complexation mechanism of BE-NCT co-crystal demonstrated a good correlation between calculated and experimental data (R2 >0.98). Co-crystal formation is a spontaneous process(ΔG°<0).Increase in temperature resulted in the increase of Ksp;decrease of K11 and a narrowed co-crystal zone.The degree of spontaneous reaction also decreased with increased temperature.The spontaneous reaction no longer carried out if the temperature reached T* =315 K sinceΔG°=0(ΔH°=-6.314 ×10 -2 kJ/mol;ΔS°=-0.200 5 J/mol.K).A drop in temperature favors the complexation between BE and NCT in ethyl acetate.Since NCT has higher solubility than BE in ethyl acetate;the TPDs of co-crystal was asymmetric.The DSC diagrams of products prepared via three presupposed methods confirmed that the BE-NCT co-crystal could be generated in solutions of nonstoichiometric compositions.关键词
黄芩素/烟酰胺/共晶/溶液络合/热力学/三元相图Key words
baicalein/nicotinamide/co-crystal/solvent complexation/thermodynamics/ternary phase diagram分类
医药卫生引用本文复制引用
张亚琪,黄燕婷,高缘,张建军..黄芩素-烟酰胺共晶结晶过程的热力学研究[J].中国药科大学学报,2015,(5):568-574,7.基金项目
江苏省自然科学基金资助项目（ No.BK20141351）；江苏高校优势学科建设工程资助项目；江苏省高校“青蓝工程”资助项目This study was supported by the Natural Science Foundation of Jiangsu Province牗No.BK20141351牘牷the Priority Academic Program Development of Jiangsu Higher Education Institutions 牗PAPD牘and the?Qing-Lan?Project of Jiangsu Province （）
