Spatial distribution of ionic hydration energy and hyper-mobile water

George Mogami, Makoto Suzuki, Nobuyuki Matubayasi

研究成果: Chapter

抄録

In this chapter, we provide the following two topics. 1: We carry out DRS measurements for divalent metal chloride and trivalent metal chloride solutions and clarify the hydration states. All the tested solutions have hyper-mobile water (HMW) with higher dielectric relaxation frequency f1 (~20 GHz) than that of bulk water (12.6 GHz at 10 °C), and dispersion amplitude of HMW is aligned to Hofmeister series. According to the correlation between an intensity of HMW signal and water structure entropy, HMW can be a scale for the water structure. 2: We carry out the spatial-decomposition analysis of energetics of hydration for a series of ionic solutes in combination with molecular dynamics (MD) simulation. The hydration analysis is conducted on the basis of a spatial-decomposition formula for the excess partial molar energy of the ion that expresses the thermodynamic quantity as an integral over the whole space of the ion-water and water-water interactions conditioned by the ion-water distance. In addition, we examine the correlation between the electric field formed by ion and the number of HMW around ion.

本文言語English
ホスト出版物のタイトルThe Role of Water in ATP Hydrolysis Energy Transduction by Protein Machinery
出版社Springer Singapore
ページ33-52
ページ数20
ISBN(電子版)9789811084591
ISBN(印刷版)9789811084584
DOI
出版ステータスPublished - 2018 5 7

ASJC Scopus subject areas

  • Chemistry(all)
  • Biochemistry, Genetics and Molecular Biology(all)

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