盐酸硫胺素（维生素 B1）水合物脱水行为的研究：第二部分。

Insights into the dehydration behavior of thiamine hydrochloride (vitamin B1) hydrates: part II.

机构信息

Department of Pharmaceutics, University of Minnesota, Minneapolis, 9-157 Weaver Densford Hall, 308 Harvard Street SE, Minnesota 55455, USA.

出版信息

J Pharm Sci. 2010 Apr;99(4):1882-95. doi: 10.1002/jps.21968.

DOI:10.1002/jps.21968

PMID:19824063

Abstract

Thiamine hydrochloride (THCl) can exist as an anhydrate (AH) and as a hemihydrate (HH). AH sorbs water as a function of environmental water vapor pressure to form a nonstoichiometric hydrate (NSH). NSH dehydration is initiated at approximately 40 degrees C to yield AH, an isomorphic desolvate (ID) of NSH (Chakravaty et al., 2009, J Pharm Sci). Upon heating, dehydration of HH occurs only at elevated temperatures (>120 degrees C) and is accompanied by chemical decomposition. When heated at reduced temperature (60-90 degrees C) and pressure (20-760 mTorr), HH was incompletely dehydrated with partial loss of long-range lattice order. Complete dehydration of HH to AH was achieved through a solvent-mediated transformation in ethanol. The crystal structures of NSH and HH exhibit pronounced differences in the hydrogen bonding of water. The dehydration mechanism of NSH and HH can be explained by the "continuous and unified" dehydration model.

摘要

盐酸硫胺素（THCl）可以无水物（AH）和半水合物（HH）的形式存在。AH 会根据环境水蒸气压力吸附水分，形成非化学计量的水合物（NSH）。大约在 40°C 时，NSH 开始脱水生成 AH，这是 NSH 的同晶去溶剂化物（ID）（Chakravaty 等人，2009 年，《药物科学杂志》）。当 HH 加热时，仅在高温（>120°C）下发生脱水，并且伴随着化学分解。当在降低的温度（60-90°C）和压力（20-760 mTorr）下加热时，HH 不完全脱水，长程晶格有序部分丧失。HH 通过在乙醇中的溶剂介导转化完全脱水生成 AH。NSH 和 HH 的晶体结构在水的氢键方面表现出明显的差异。NSH 和 HH 的脱水机制可以用“连续统一”的脱水模型来解释。