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Hidefumi Naito

Doctor Course 3rd Year

OU-SPRING recipient in 2024

OU Fellowship (Type A) recipient in 2022 and 2023

Contact: p6un18gs▼s.okayama-u.ac.jp ( please replace ▼ by @ )

Web of Science ResearcherID: JNS-0676-2023

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Research Theme

Quantification of the strength of solvent-mediated interactions including the hydrophobic interaction

Research Theme ( detail )

We study the solvent-mediated interaction, i.e., an effective interaction between solute molecules in a solution.

Our research goal is to clarify the universal relationships between the microscopic properties of solutes, such as molecular size, and the strength of effective interactions among them.

To do so, we evaluate the osmotic second virial coefficients B for spherical solutes with different diameters σ and explore the quantitative relationship between B and σ.

The molecular simulation and the integral equation theory of liquids are used to compute B.

Research Interests

Hydrophobic Interaction, Solvent-Mediated Interaction, Molecular Simulation, Theory of Liquids, Integral Equation Theory of Liquids, Osmotic Second Virial Coefficient

Publication

1. Hidefumi Naito, Ryuichi Okamoto, Tomonari Sumi, and Kenichiro Koga, "Osmotic Second Virial Coefficients for Hydrophobic Interactions as a Function of Solute Size", J. Chem. Phys. 156, 221104 (2022) https://pubs.aip.org/aip/jcp/article/156/22/221104/2841289.

2. Hidefumi Naito, Tomonari Sumi, and Kenichiro Koga, "How do water-mediated interactions and osmotic second virial coefficients vary with particle size?", Faraday Discuss. 249, 440-452 (2024) https://pubs.rsc.org/en/content/articlelanding/2023/FD/D3FD00104K.

3. Hidefumi Naito, Tomonari Sumi, and Kenichiro Koga, "The nature of the hydrophobic interactino varies as the solute size increases from methane's to C₆₀'s", J. Chem. Phys. 161, 214501(2024) https://pubs.aip.org/aip/jcp/article/161/21/214501/3322936.

Presentation

1.　Hidefumi Naito, Ryuichi Okamoto, Tomonari Sumi, Kenichiro Koga, "Solute Size Dependence of Hydrophobic Interactions : Approach with Simulations", The 35th Molecular Simulation Symposium, Okayama University, 2021 (poster).

2.　Hidefumi Naito, "Solute Size Dependence of the Strength of Hydrophobic Interactions : Existence of 6th Power Law", The 15th Mini-Symposium on Liquids: MSL2022, Kyushu University, 2022 (poster).

3.　Hidefumi Naito, Ryuichi Okamoto, Tomonari Sumi, Kenichiro Koga, "Solute Size Dependence of Osmotic Second Virial Coefficients: Existence of 6th Power Law and its Universality", The Physical Society of Japan 2022 Autumn Meeting, Tokyo Institute of Technology, 2022 (oral).

4.　Hidefumi Naito, Tomonari Sumi, Kenichiro Koga, "Cluster Formation by the Hydrophobic Interaction in Aqueous 1-propanol Solutions and its Singularity", The 36th Molecular Simulation Symposium, Tokyo Institute of Technology, 2022 (poster).

5.　Hidefumi Naito, "Microscopic Factors Characterizing the Solute Size Dependence of Hydrophobic Interactions", The 16th Mini-Symposium on Liquids: MSL2023, Okayama University, 2023 (poster).

6.　Hidefumi Naito, Tomonari Sumi, Kenichiro Koga, "Quantification of the Water-Mediated Interaction Varying with Solute Size", Water at interfaces Faraday Discussion, The Royal Society of Chemistry, 2023 (poster).

7.　Hidefumi Naito, Ryuichi Okamoto, Tomonari Sumi, Kenichiro Koga, "Solute Size Dependence of Solvent-Mediated Interactions Inverted by Solvent Speacies", The 37th Molecular Simulation Symposium, Fukui Prefectural Hall, 2023 (poster).

8.　Hidefumi Naito,, Tomonari Sumi, Kenichiro Koga, "Size Effects on the Solute-Solute Effective Interaction in a Solution", The 11th Soft Matter Society, Institute of Industrial Science, University of Tokyo, 2023 (poster).

9.　Hidefumi Naito, "Solute-Size Effects on the Hydrogen-Bond Network of Water Around a Pair of Hydrophobic Solutes", The 17th Mini-Symposium on Liquids: MSL2024, Kyushu University, 2024 (poster).

10.　Hidefumi Naito, Tomonari Sumi, Kenichiro Koga, "Thermodynamic and Microscopic Factors Determining the Solute-Size Dependence of Hydrophobic Interactions", The Physical Society of Japan 2024 Annual (74th) Meeting, Hokkaido University, 2024 (oral).

11.　Hidefumi Naito, Tomonari Sumi, Kenichiro Koga, "Driving Factors of the Hydrophobic Interaction Varying with the Solute Size", The 38th Molecular Simulation Symposium, Arcrea HIMEJI, 2024 (poster).