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Spatial Distribution of Ionic Hydration Energy and Hyper-Mobile Water

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Book cover The Role of Water in ATP Hydrolysis Energy Transduction by Protein Machinery

Abstract

In this chapter, we provide the following two topics.

  1. 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. 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.

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Authors and Affiliations

  1. Department of Materials Processing, Graduate School of Engineering, Tohoku University, 6-6-02, Aramaki Aza Aoba, Aoba-ku, Sendai, 980-8579, Japan

    George Mogami & Makoto Suzuki

  2. Biological and Molecular Dynamics, Institute of Multidisciplinary Research for Advanced Materials (IMRAM), Tohoku University, Katahira 2-1-1, Aoba-Ku, Sendai, 980-8577, Japan

    Makoto Suzuki

  3. Department of Biomolecular Engineering, Graduate School of Engineering, Tohoku University, 6-6-07 Aoba, Aramaki, Aoba-Ku, Sendai, 980-8579, Japan

    Makoto Suzuki

  4. Division of Chemical Engineering, Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka, 560-8531, Japan

    Nobuyuki Matubayasi

  5. Elements Strategy Initiative for Catalysts and Batteries, Kyoto University, Katsura, Kyoto, 615-8520, Japan

    Nobuyuki Matubayasi

Authors
  1. George Mogami
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  2. Makoto Suzuki
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  3. Nobuyuki Matubayasi
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Correspondence to George Mogami .

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Editors and Affiliations

  1. Institute of Engineering Education, Tohoku University, Sendai, Miyagi, Japan

    Makoto Suzuki

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Mogami, G., Suzuki, M., Matubayasi, N. (2018). Spatial Distribution of Ionic Hydration Energy and Hyper-Mobile Water. In: Suzuki, M. (eds) The Role of Water in ATP Hydrolysis Energy Transduction by Protein Machinery. Springer, Singapore. https://doi.org/10.1007/978-981-10-8459-1_3

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