Publication

論文(査読付)

  1. Noriyuki Yoshii, Yuki Nimura, Kazushi Fujimoto, and Susumu Okazaki
    “Spherical harmonics analysis of surface density fluctuations of spherical ionic SDS and nonionic C12E8 micelles: A molecular dynamics study”, The Journal of Physical Chemistry, Vol. 147, pp. 034906-1-10 (2017).
    chk
  2. Kazushi Fujimoto, Yousuke Kubo, Shinji Kawada, Noriyuki Yoshii, and Susumu Okazaki
    “Molecular dynamics study of the aggregation rate for zwitterionic dodecyldimethylamine oxide and cationic dodecyltrimethylammonium chloride micelles”, Molecular Simulation, in press.
  3. Go Hamasaka, Tsubasa Muto, Yoshimichi Andoh, Kazushi Fujimoto, Kenichi Kato, Masaki Tanaka, Susumu Okazaki and Yasuhiro Uozumi,
    “Detailed Structural Analysis of a Self-Assembled Vesicular Amphiphilic NCN-Pincer Palladium Complex by Wide-Angle X-Ray Scattering and Molecular Dynamics Calculations”, Chemistry – A European Journal, Vol. 23, pp. 1291-1298 (2017).
  4. Masahiro Kitabata, Kazushi Fujimoto,Noriyuki Yoshii, and Susumu Okazaki,
    “A molecular dynamics study of local pressures and interfacial tensions of SDS micelles and dodecane droplets in water”, Journal of Chemical Physics, Vol. 144, p. 224701 (2016)
  5. Osamu Ichikawa, Kazushi Fujimoto, Atsushi Yamada, Susumu Okazaki, Kazuto Yamazaki,
    “A molecular dynamics study of local pressures and interfacial tensions of SDS micelles and dodecane droplets in water”, Plos One(2016).
  6. Lin Wang, Kazushi Fujimoto, Noriyuki Yoshii, and Susumu Okazaki,
    “A molecular dynamics study of the breathing and deforming modes of the spherical ionic SDS and nonionic C12E8 micelles”, The Journal of Chemical Physics, Vol. 144, pp. 034903-1-7(2016).
  7. Shinji Kawada, Mika Komori, Kazushi Fujimoto, Noriyuki Yoshii, and Susumu Okazaki,
    “Molecular dynamics study of the formation mechanisms of ionic SDS and nonionic C12E8 micelles and n-dodecane droplets”, Chemical Physics Letters, Vol. 217, pp. 36-40(2016).
  8. Noriyuki Yoshii, Kazushi Fujimoto, and Susumu Okazaki,
    “Molecular dynamics study of the structure of anionic SDS, cationic DTAC, zwitterionic DDAO, and nonionic C12E8 spherical micelles in solution”, Journal of Molecular Liquid, Vol. 646, pp. 99-102(2015).
  9. Noriyuki Yoshii, Yoshimichi Andoh, Kazushi Fujimoto, Hidekazu Kojima, Atsushi Yamada, and Susumu Okazaki,
    “MODYLAS: A Highly Parallelized General-Purpose Molecular Dynamics Simulation Program”, International Journal of Quantum Chemistry, Vol. 115, pp. 342-348(2015).
  10. Ryouichi Wada, Kazushi Fujimoto, and Minoru Kato,
    “Why Is Poly(oxyethylene) Soluble in Water? Evidence from the Thermodynamic Profile of the Conformational Equilibria of 1,2-Dimethoxyethane and Dimethoxymethane Revealed by Raman Spectroscopy.”, The Journal of Physical Chemistry, B, Vol. 118, pp. 12223-12231(2014).
  11. Y Andoh, N Yoshii, A Yamada; K Fujimoto, H Kojima, K Mizutani, A Nakagawa, A Nomoto, and S Okazaki,
    “All-atom molecular dynamics calculation study of entire poliovirus empty capsids in solution”, The Journal of chemical physics, Vol. 141, pp. 16501 1-11(2014).
  12. Yoshimichi Andoh, Noriyuki Yoshii, Kazushi Fujimoto, Keisuke Mizutani, Hidekazu Kojima, Atsushi Yamada, Susumu Okazaki, Kazutomo Kawaguchi, Hidemi Nagao, Kensuke Iwahashi, Fumiyasu Mizutani, Kazuo Minami, Shin-ichi Ichikawa, Hidemi Komatsu, Shigeru Ishizuki, Yasuhiro Takeda, and Masao Fukushima,
    “MODYLAS: A Highly Parallelized General-Purpose Molecular Dynamics Simulation Program for Large-Scale Systems with Long-Range Forces Calculated by Fast Multipole Method (FMM) and Highly Scalable Fine-Grained New Parallel Processing Algorithm”, Journal of Chemical Theory and Computation, Vol. 9, pp. 3201-3209(2013).
  13. K. Fujimoto, N. Yoshii, and S. Okazaki,
    “Molecular dynamics study of free energy of transfer of alcohol and amine from water phase to the micelle by thermodynamic integration method”, Journal of Chemical Physics, Vol. 137, pp. 094902 1-6(2012).
  14. K. Fujimoto, N. Yoshii, and S. Okazaki,
    “Free energy profiles for penetration of methane and water molecules into spherical sodium dodecyl sulfate micelles obtained using the thermodynamic integration method combined with molecular dynamics calculations”, The Journal of Chemical Physics, Vol. 136, pp. 014511, 1-9(2012).
  15. K. Fujimoto, N. Yoshii, and S. Okazaki,
    “Molecular dynamics study of solubilization of immiscible solutes by a micelle: Free energy of transfer of alkanes from water to the micelle core by thermodynamic integration method”, The Journal of Chemical Physics, Vol. 133, pp. 074511 1-6(2012).

総説

  1. 藤本 和士 「ミセル水溶液中の溶質の可溶化に関する計算機シミュレーション」 熱測定 , 40巻 3号 (頁:114-119)2013年
  2. 藤本 和士 「分子動力学法に基づいた自由エネルギー計算によるSDSミセル可溶化の理論的研究」アンサンブル , 15巻 (頁:57-60)2013年
広告