Publications (2002, 2003)

[Research Papers] [Presentations in Academic Meetings]

Research Papers

  1. S. Neya and N. Funasaki : meso-Tetra(tert-butyl)porphyrin as a Precursor of Porphine. Tetrahedron Lett., 43, 1057-1058 (2002)
  2. N. Funasaki, S. Ishikawa and S. Neya : Binding of Short-Chain Lecithin by β-Cyclodextrin. Langmuir, 18, 1786-1790 (2002)
  3. N. Funasaki, S. Ishikawa and S. Neya : NMR Chemical Shift Methods for Binding Constant Determination of an Organic Anion and α-Cyclodextrin. Bull. Chem. Soc. Jpn., 75, 719-723 (2002)
  4. G. P. -J. Hareau, S. Neya, N. Funasaki and I. Taniguchi : New Route to Protoporphyrins III and XIII from Common Starting Pyrroles. Tetrahedron Lett., 43, 3109-3111 (2002)
  5. N. Okimoto, K. Yamanaka, A. Suenaga, M. Hata and T. Hoshino : Computational Studies on Prion Proteins: Effect on Ala117 → Val Mutation. Biophys. J., 82, 2746-2757 (2002)
  6. R. M. Gulam, T. Matsushita, S. Neya, N. Funasaki and J. Teraoka : Resonance Raman Characterization of Porphycene Anions. Chem. Phys. Lett., 357, 126-130 (2002)
  7. Y. Hirano, M. Hata, T. Hoshino and M. Tsuda : Quantum Chemical Study on the Catalytic Mechanism of the C-Subunit of cAMP-Dependent Protein Kinase. J. Phys. Chem. B, 106, 5788-5792 (2002)
  8. N. Funasaki, S. Ishikawa and S. Neya : Solution Structures of α-Cyclodextrin Complexes with Propanol and Propanesulfonate Estimated from NMR and Molecular Surface Area J. Phys. Chem. B, 106, 6431-6436 (2002)
  9. T. Tsuchiya, D. Katagiri, M. Hata, T. Hoshino and M. Tsuda : Theoretical Analysis of the Stability of Helices. J. Mol. Struct. (THEOCHEM), 589-590, 413-422 (2002)
  10. D. Katagiri, T. Tsuchiya, M. Tsuda, M. Hata and T. Hoshino : Computational Analysis of Stability of the β-Sheet Structure. J. Phys. Chem. B, 106, 9151-9158 (2002)
  11. Y. Ohgo, S. Neya, T. Ikeue, M. Takahashi, M. Takeda, N. Funasaki and M. Nakamura : Molecular Structures of Five-Coordinated Halide Ligated Iron(III) Porphyrin, Porphycene, and Corrphycene Complexes. Inorg. Chem., 41, 4627-4629 (2002)
  12. Y. Fujii, M. Hata, T. Hoshino and M. Tsuda : Catalytic Mechanism of Class A β-Lactamase: Role of Lysine 73 and C3-Carboxyl Group of the Substrate Pen G in the Deacylation Step. J. Phys. Chem. B, 106, 9687-9695 (2002)
  13. K. Murata, T. Hoshino, Y. Sato, M. Hata and M. Tsuda : A Factor to Determine the Direction of the Proton Transfer in Bacteriorhodopsin. Chem-Bio Inform. J., 2, 97-103 (2002)
  14. K. Mori, M. Hata, S. Neya and T. Hoshino : A Study on the Role of Mg2+ in a Ras Protein by MD Simulation. Chem-Bio Inform. J., 2, 147-155 (2002)
  15. N. Okimoto, K. Yamanaka, A. Suenaga, Y. Hirano, N. Futatsugi, T. Narumi, K. Yasuoka, R. Susukita, T. Koishi, H. Furusawa, A. Kawai, M. Hata, T. Hoshino and T. Ebisuzaki : Molecular Dynamics Simulations of Prion Proteins - Effect of Ala117 → Val mutation- . Chem-Bio Inform. J., 3, 1-11 (2003)
  16. S. Neya, K. Imai, H. Hori, H. Ishikawa, K. Ishimori, D. Okuno, S. Nagatomo, T. Hoshino, M. Hata and N. Funasaki : Iron Hemiporphycene as a Functional Prosthetic Group for Myoglobin. Inorg. Chem., 42, 1456-1461 (2003)
  17. D. Katagiri, M. Hata, T. Itoh, S. Neya and T. Hoshino : Atomic-Scale Mechanism of the GTP → GDP Hydrolysis Reaction by the Giα1 Protein. J. Phys. Chem. B, 107, 3278-3283 (2003)
  18. Y. Ohgo, S. Neya, M. Takahashi, M. Takeda, N. Funasaki and M. Nakamura : Iodo(etiohemiporphycenato)iron(III): Unexpected Difference in Magnetic Behavior in Solution and Solid. Chem. Lett., 32, 526-527 (2003)
  19. N. Funasaki, H. Yamaguchi, S. Ishikawa and S. Neya : Coexistence of Two 1:1 Complexes of Oxyphenonium Bromide and alpha-Cyclodextrin. Bull. Chem. Soc. Jpn., 76, 903-911 (2003)
  20. N. Funasaki, S. Ishikawa and S. Neya : Proton NMR Study of alpha-Cyclodextrin Inclusion of Short-Chain Surfactants. J. Phys. Chem. B, 107, 10094-10099 (2003)
  21. T. Hoshino, M. Hata, S. Neya, Y. Nishioka, T. Watanabe, K. Tatsumura and I. Ohdomari : Diffusion of Molecular and Atomic Oxygen in Silicon Oxide. Jpn. J. Appl. Phys., 42, 3560-3565 (2003)
  22. Y. Fujii, N. Okimoto, M. Hata, T. Narumi, K. Yasuoka, R. Susukita, A. Suenaga, N. Futatsugi, T. Koishi, H. Furusawa, A. Kawai, T. Ebisuzaki, S. Neya and T. Hoshino : Molecular Dynamics Study on Class A β-Lactamase: Hydrogen Bond Network among the Functional Groups of Penicillin G and Side Chains of the Conserved Residues in the Active Site. J. Phys. Chem. B, 107, 10274-10283 (2003)
  23. T. Hoshino, M. Hata, S. Neya, Y. Nishioka, T. Watanabe, K. Tatsumura and I. Ohdomari : Probability of Atomic or Molecular Oxygen Species in Silicon and Silicon Dioxide. Jpn. J. Appl. Phys., 42, 6535-6542 (2003)
  24. K. Murata, T. Hoshino, Y. Sato, M. Hata and M. Tsuda : Unidirectional Proton Transfer Mechanism in the L → M → N Sequence of Bacteriorhodopsin. J. Mol. Struct. (THEOCHEM), 664-665, 125-133 (2003)
  25. N. Torimoto, I. Ishii, M. Hata, H. Nakamura, H. Imada, N. Ariyoshi, S. Ohmori, T. Igarashi, and M. Kitada : Direct Interaction between Substrates and Endogenous Steroids in the Active Site May Change the Activity of Cytochrome P450 3A4. Biochemistry, 42, 15068-15077 (2003)

Presentations in Academic Meetings

  1. Y. Ohgo, S. Neya, T. Ikeue, M. Takahashi, M. Takeda, N. Funasaki and M. Nakamura : Molecular Structures of Five-Coordinated Halide Ligated Iron(III) Porphyrin, Porphycene, and Corrphycene Complexes. Second International Conference on Porphyrins and Phthalocyanines, Kyoto, Japan, Abstracts, 332 (2002)
  2. R. M. Gulam, S. Neya and J. Teraoka : Resonance Raman Charactrization of Highly Reduced Iron Porphycenes. Second International Conference on Porphyrins and Phthalocyanines, Kyoto, Japan, Abstracts, 338 (2002)
  3. S. Neya and N. Funasaki : Iron Hemiporphycene as the Prosthetic Group of Myoglobin. Second International Conference on Porphyrins and Phthalocyanines, Kyoto, Japan, Abstracts, 390 (2002)
  4. J. Hasegawa, K. Takata, S. Neya and H. Nakatsuji : SAC-CI Theoretical Study of the Excited States of Porphyrin Related Compounds: Porphin, Porphycenes, Corrphycene and Hemiporphycene. Second International Conference on Porphyrins and Phthalocyanines, Kyoto, Japan, Abstracts, 453 (2002)
  5. S. Neya and N. Funasaki : Biological Function of the Iron Complexes of Porphyrin Isomers. 6th International Porphyrin-Heme Symposium in Association with 9th International SPACC Symposium in Tokyo, Japan, PORPHYRINS, 11, 58 (2002)
  6. K. Mori, M. Hata, S. Neya and T. Hoshino : A Study on the Role of Mg2+ Ion in Small G-Proteins by MD Simulations. International Symposium on Molecular Nano-Engineering and Its Development into Microsystems - Chemical Nanoprocesses for Molecular Nanoengineering -, Tokyo, Japan, Abstracts, PA-10 (2003)
  7. T. Kinoshita, M. Hata, S. Neya and T. Hoshino : Computational Approach for the Design of High Affinity Antibody. International Symposium on Molecular Nano-Engineering and Its Development into Microsystems - Chemical Nanoprocesses for Molecular Nanoengineering -, Tokyo, Japan, Abstracts, PA-11 (2003)
  8. Y. Sato, M. Hata, S. Neya and T. Hoshino : Formation of Water Chains for Proton Transport in Bacteriorhodopsin. International Symposium on Molecular Nano-Engineering and Its Development into Microsystems - Chemical Nanoprocesses for Molecular Nanoengineering -, Tokyo, Japan, Abstracts, PA-12 (2003)
  9. Y. Fujii, M. Hata, S. Neya, M. Tsuda and T. Hoshino : Catalytic Mechanism of Class A β-Lactamase. Substrate-Assisted Catalysis in the Deacylation Step. International Symposium on Molecular Nano-Engineering and Its Development into Microsystems - Chemical Nanoprocesses for Molecular Nanoengineering -, Tokyo, Japan, Abstracts, PA-13 (2003)
  10. M. Hata, Y. Tanaka, Y. Fujii, T. Hoshino and S. Neya : Deacylation Mechanism of Class C Beta-Lactamase. 43rd Interscience Conference on Antimicrobial Agents and Chemothrapy, Chicago, USA, Abstracts, 77 (2003)
  11. H. Ishikawa, Y. Fujii, M. Hata, T. Hoshino and S. Neya : Insights into the Deacylation Mechanism of Class D β-Lactamases from Molecular Dynamics Simulations. International Symposium on Molecular Nano-Engineering and Its Development into Microsystems - Molecular Nano-engineering for Bio-Science and Technology Applications -, Tokyo, Japan (2003)
  12. H. Ode, D. Katagiri, H. Ishikawa, S. Neya, M. Hata and T. Hoshino : Fast Parameterization of Harmonic Force Field Based on the First-Principles Calculations. International Symposium on Molecular Nano-Engineering and Its Development into Microsystems - Molecular Nano-engineering for Bio-Science and Technology Applications -, Tokyo, Japan (2003)
  13. T. Hattori, Y. Yokomaku, M. Hata, T. Hoshino and S. Neya : Theoretical Study of Binding Affinity between HIV Gap Epitope and Human Leukocyte Antigen HLA-A*2402. International Symposium on Molecular Nano-Engineering and Its Development into Microsystems - Molecular Nano-engineering for Bio-Science and Technology Applications -, Tokyo, Japan (2003)
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