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The Role of Solvent Composition and Polymorph Surface Chemistry in the Solution-Mediated Phase Transformation Process of Cefaclor
Industrial & Engineering Chemistry Research ( IF 3.8 ) Pub Date : 2018-11-30 , DOI: 10.1021/acs.iecr.8b04462 Chang Wang 1 , Ling Zhou 1 , Xia Zhang 1 , Yongfan Yang 1 , Qiuxiang Yin 1, 2 , Kevin J. Roberts 3
Industrial & Engineering Chemistry Research ( IF 3.8 ) Pub Date : 2018-11-30 , DOI: 10.1021/acs.iecr.8b04462 Chang Wang 1 , Ling Zhou 1 , Xia Zhang 1 , Yongfan Yang 1 , Qiuxiang Yin 1, 2 , Kevin J. Roberts 3
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The solution-mediated phase transformation process from cefaclor dihydrate to an ethanol–water solvate is analyzed by optical microscopy, powder X-ray diffraction, scanning electron microscopy and molecular modeling. The solution concentration and polymorphic composition during slurry transformation, as monitored using UV and Raman spectroscopy, respectively, reveal that the dihydrate transforms to the ethanol–water solvate at a low ethanol concentration in the mixture solvent. The transformation process is controlled by the growth of ethanol–water solvate, which nucleates on the surfaces of the dihydrate crystals. Molecular simulation confirms the critical point of transformation between the dihydrate and the ethanol–water solvate, consistent with the experimental results. The results demonstrate the importance of the solvent composition and surface chemistry of dihydrate in promoting the heterogeneous nucleation of ethanol–water solvate and provide guidance for the process control for the target form of cefaclor required.
中文翻译：
溶剂组成和多晶型物表面化学在头孢克洛溶液介导的相变过程中的作用
通过光学显微镜，粉末X射线衍射，扫描电子显微镜和分子模型分析了溶液介导的从头孢克洛二水合物到乙醇-水溶剂化物的相变过程。分别使用UV和拉曼光谱法监测的浆液转化过程中的溶液浓度和多晶型成分表明，在混合溶剂中乙醇浓度低时，二水合物转化为乙醇-水溶剂化物。转化过程受乙醇-水溶剂化物的生长控制，乙醇-水溶剂化物在二水合物晶体表面成核。分子模拟证实了二水合物与乙醇-水溶剂化物之间转化的临界点，与实验结果一致。
更新日期：2018-11-30
中文翻译：
溶剂组成和多晶型物表面化学在头孢克洛溶液介导的相变过程中的作用
通过光学显微镜，粉末X射线衍射，扫描电子显微镜和分子模型分析了溶液介导的从头孢克洛二水合物到乙醇-水溶剂化物的相变过程。分别使用UV和拉曼光谱法监测的浆液转化过程中的溶液浓度和多晶型成分表明，在混合溶剂中乙醇浓度低时，二水合物转化为乙醇-水溶剂化物。转化过程受乙醇-水溶剂化物的生长控制，乙醇-水溶剂化物在二水合物晶体表面成核。分子模拟证实了二水合物与乙醇-水溶剂化物之间转化的临界点，与实验结果一致。
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