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Hydrates of adenosine 3′,5′-cyclic monophosphate sodium and their transformation
CrystEngComm ( IF 2.6 ) Pub Date : 2020-10-15 , DOI: 10.1039/d0ce01180k
Pengpeng Yang 1, 2, 3, 4, 5 , Junyang Jin 1, 2, 3, 4, 5 , Qingshi Wen 6, 7, 8 , Chenguang Lin 1, 2, 3, 4, 5 , JinQiu Fu 8, 9, 10, 11 , Wei Zhuang 1, 2, 3, 4, 5 , Jinglan Wu 1, 2, 3, 4, 5 , Dong Liu 1, 2, 3, 4, 5 , Chenjie Zhu 1, 2, 3, 4, 5 , Hanjie Ying 1, 2, 3, 4, 5
Affiliation  

Almost all salt forms of nucleotides exist as crystalline hydrates. In this study, the hydrates of adenosine-3′,5′-cyclic phosphate sodium (cAMPNa·nH2O, n = 2, 4, 5, including its methanol solvate of n = 3) were systematically investigated for the crystal structures, their humidity sensibility, the transformation behaviors mediated by humidity, and the relationship between crystal water behaviors and specific structures. It was found that there are some major differences in crystal morphologies, molecular conformation, bonding profiles, and crystal water distribution in the lattices of different hydrates. The difference in the desorption dynamics of crystal water for the different hydrates was mainly attributed to their steric effects in the crystal lattice despite the relation to the interaction of water molecules with sodium ions and cAMP anions. The reversible conversions between the hydrates and their corresponding low hydrates or even anhydrates occur along with desorption/uptake of crystal water mediated by humidity, yet the reversible transformation capability would be disabled once the host structures were destroyed due to excessive loss of crystal water.

中文翻译:

腺苷3',5'-环一磷酸钠的水合物及其转化

核苷酸的几乎所有盐形式都以结晶水合物形式存在。在这项研究中,腺苷3',5'-环磷酸钠(cAMPNa· n H 2 O,n = 2,4,5,5的水合物,包括其n的甲醇溶剂化物)= 3)系统研究了晶体结构,湿度敏感性,湿度介导的转化行为以及晶体水行为与特定结构之间的关系。发现在不同水合物的晶格中,晶体形态,分子构象,键合分布和晶体水分布存在一些主要差异。尽管与水分子与钠离子和cAMP阴离子的相互作用有关,但不同水合物的结晶水解吸动力学差异主要归因于它们在晶格中的空间效应。水合物及其相应的低水合物甚至无水物之间的可逆转化与湿度介导的结晶水的解吸/吸收一起发生,
更新日期:2020-11-23
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