Structural aspects of dehydration and rehydration in the adenosine 5′-diphosphate (ADP)–potassium–water system?

CrystEngComm Pub Date: 2023-08-02 DOI: 10.1039/D3CE00395G

Abstract

This work presents the solution crystallization, post-crystallization dehydration and structural studies of hydrated and anhydrous potassium salts of adenosine 5′-diphosphate obtained in this way. ADP is crucial for cellular energy processes. K+ is the most abundant metal cation in cells. However, both ADP and nucleotide–K systems are poorly understood in terms of crystal structure. We report three hydrated salts: K(ADP)·4H2O, K(ADP)·2H2O, and (H5O2)K(ADP)2·4.25H2O and one anhydrous salt, K(ADP), formed by dehydration of K(ADP)·2H2O, proceeding as a single crystal to single crystal (SC-to-SC) process, which were tested by single crystal XRD, variable temperature micro-PXRD and TGA/DTA methods. The phase transition in (H5O2)K(ADP)2·4.25H2O was observed. The structural description of the dehydration–rehydration process in the ADP–potassium–water system was presented. The most important interaction types and structural motifs as well as the function of water molecules in the studied ADP crystals were identified.

Graphical abstract: Structural aspects of dehydration and rehydration in the adenosine 5′-diphosphate (ADP)–potassium–water system
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