Misako Aida

Last Updated :2017/10/04

Affiliations, Positions
Education Office, Executive and Vice President
Web Site
E-mail
maidahiroshima-u.ac.jp

Basic Information

Major Professional Backgrounds

  • 2016/04/01, Hiroshima University, Executive Vice President for University Reform
  • 2013/04/01, 2016/03/31, Hiroshima University, Vice President
  • 2012/04/01, 2013/03/31, Hiroshima University, Assistant to the President
  • 2011/12/01, 2016/03/31, Hiroshima University, University Management Planning Office, Office Director
  • 2010/04/01, 2012/03/31, Hiroshima University, Assistant to the President
  • 2010/01/01, 2011/11/30, Hiroshima University, Competitive Fund Promotion Office Director, Office Director
  • 2008/04/01, 2009/12/31, Hiroshima University, Gender Equality Promostion Office, Office Director
  • 2007/07/01, 2009/12/31, Hiroshima University, Vice Executive
  • 2007/05/21, 2007/06/30, Hiroshima University, Assistant to the President
  • 2000/04/01, Hiroshima University, Graduate School of Science , Professor
  • 1998/10/01, 2000/03/31, Hiroshima University, Faculty of Science, Professor
  • 1979/04/01, 1998/09/30, National Cancer Center Research Institute, Researcher

Educational Backgrounds

  • Ochanomizu University, Graduate School, Division of Natural Science, Japan, 1977/04, 1979/03
  • Ochanomizu University, Faculty of Science, Japan, 1973/04, 1977/03

Academic Degrees

  • Doctor of Science, Tokyo Institute of Technology
  • Master of Science, Ochanomizu University

Educational Activity

  • School of Science:Chemistry, Graduate School of Science:Chemistry, Graduate School of Science:Chemistry

In Charge of Primary Major Programs

  • Chemistry

Research Fields

  • Chemistry;Basic chemistry;Physical chemistry

Research Keywords

  • Theoretical chemistry / Computational chemistry
  • simulation
  • molecular dynamics
  • graph theory
  • reaction mechanism
  • molecular assembly
  • solution
  • biological molecules
  • DNA
  • protein

Affiliated Academic Societies

Educational Activity

Course in Charge

  1. 2017, Liberal Arts Education Program1, First Semester, Introductory Seminar for First-Year Students
  2. 2017, Undergraduate Education, 3Term, Practical Computational Chemistry
  3. 2017, Undergraduate Education, First Semester, Special Study for Graduation
  4. 2017, Undergraduate Education, Second Semester, Special Study for Graduation
  5. 2017, Undergraduate Education, First Semester, Quantum Chemistry
  6. 2017, Graduate Education (Master's Program) , First Semester, Seminar in Chemical
  7. 2017, Graduate Education (Master's Program) , Second Semester, Seminar in Chemical
  8. 2017, Graduate Education (Master's Program) , First Semester, Quantum Chemistry (Seminar)
  9. 2017, Graduate Education (Master's Program) , Second Semester, Quantum Chemistry (Seminar)

Research Activities

Academic Papers

  1. Chemical Modification of the siRNA Seed Region Suppresses Off Target Effects by Steric Hindrance to Base-Pairing with Targets, ACS OMEGA, 2(5), 2055-2064, MAY 2017
  2. Hydration structure of trimethylamine N-oxide in aqueous solutions revealed by soft X-ray emission spectroscopy and chemometric analysis, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 18(39), 27648-27653, OCT 21 2016
  3. QUANTIFYING FACULTY PRODUCTIVITY IN JAPAN: Development and Application of the Achievement-Motivated Key Performance Indicator, Research and Occasional Paper Series, CSHE 8.16, 2016 October
  4. Electronic origin of the dependence of hydrogen bond strengths on nearest-neighbor and next-nearest-neighbor hydrogen bonds in polyhedral water clusters (H2O)(n), n=8, 20 and 24, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 18(29), 19746-19756, AUG 7 2016
  5. Crosslinking reactions of 4-amino-6-oxo-2-vinylpyrimidine with guanine derivatives and structural analysis of the adducts, NUCLEIC ACIDS RESEARCH, 43(16), 7717-7730, SEP 18 2015
  6. Reconsidering the activation entropy for anomerization of glucose and mannose in water studied by NMR spectroscopy, JOURNAL OF MOLECULAR STRUCTURE, 1093, 195-200, AUG 5 2015
  7. Synthesis and biological activities of the amide derivative of aplog-1, a simplified analog of aplysiatoxin with anti-proliferative and cytotoxic activities, BIOSCIENCE BIOTECHNOLOGY AND BIOCHEMISTRY, 79(6), 888-895, JUN 3 2015
  8. Fundamental frequency from classical molecular dynamics, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 17(5), 3227-3240, 2015
  9. A comprehensive search of topologically distinct local minimum structures of protonated water octamer and the classification of O-H topological types, CHEMICAL PHYSICS LETTERS, 618, 51-56, JAN 2 2015
  10. Distribution of Topologically Distinct Isomers of Water Clusters and Dipole Moments of Constituent Water Molecules at Finite Atmospheric Temperatures, JOURNAL OF PHYSICAL CHEMISTRY A, 118(36), 7911-7924, SEP 11 2014
  11. Influence of Trimethylamine N-Oxide (TMAO) on the Three-dimensional Distribution and Alignment of Solvent Molecules in Aqueous Solution, CHEMISTRY LETTERS, 43(6), 865-867, JUN 5 2014
  12. A new variant of multicanonical Monte Carlo algorithm with specifying the temperature range and its application to the hydration free energy change of fluorinated methane derivatives, CHEMICAL PHYSICS LETTERS, 595, 55-60, MAR 18 2014
  13. Helmholtz Energy Change between Neutral and Zwitterionic Forms of Glycine in Aqueous Solution Using Ab Initio Expanded QM/MM-MC with QM Solvent, CHEMISTRY LETTERS, 42(9), 1010-1012, SEP 5 2013
  14. Ab Initio QM/MM-MC Study on Hydrogen Transfer of Glycine Tautomerization in Aqueous Solution: Helmholtz Energy Changes along Water-mediated and Direct Processes, CHEMISTRY LETTERS, 42(6), 598-600, JUN 5 2013
  15. Macrodipole Moment of Polypeptides in beta-Sheet and Its Prediction from Dipole Moments of Amino Acid Residues as Building Blocks: Alanine and Glycine in beta-Strand, CHEMISTRY LETTERS, 42(5), 473-475, MAY 5 2013
  16. Hydration of Adamantane Skeleton: Water Assembling around Amantadine and Halo-substituted Adamantanes, CHEMISTRY LETTERS, 42(3), 292-294, MAR 5 2013
  17. Dipole Moments of Amino Acid Residues, Gly and Ala, in alpha-Helix: Quantum Chemical Building Blocks for Macrodipole Moment of alpha-Helical Polypeptide, CHEMISTRY LETTERS, 41(12), 1579-1580, DEC 5 2012
  18. A Bibliometric Analysis of the Dynamic Alteration of Research Activity at Hiroshima University in the Natural Science Fields, Research in Higher Education - Daigaku Ronshu= RIHE= Hiroshima University, 43, 285, 20120301
  19. Solvent distributions, solvent orientations and specific hydration regions around 1-adamantyl chloride and adamantane in aqueous solution, CHEMICAL PHYSICS LETTERS, 511(1-3), 62-67, JUL 26 2011
  20. Self-assembled monolayers of cyanoterphenyl terminated alkyl disulfides studied by vibrationally and electronically doubly-resonant sum-frequency generation spectroscopy, CHEMICAL PHYSICS LETTERS, 506(4-6), 190-195, APR 20 2011
  21. Structures of Molecules in Ground and Excited Vibrational States from Quasiclassical Direct ab Initio Molecular Dynamics, JOURNAL OF PHYSICAL CHEMISTRY A, 114(21), 6273-6283, JUN 3 2010
  22. Self-Assembled Monolayers of Double-Chain Disulfides of Adenine on Au: An IR-UV Sum-Frequency Generation Spectroscopic Study, LANGMUIR, 26(1), 389-396, JAN 5 2010
  23. Chiral Sum Frequency Spectroscopy of Thin Films of Porphyrin J-Aggregates, JOURNAL OF PHYSICAL CHEMISTRY B, 113(15), 5098-5103, APR 16 2009
  24. ONIOM Study of the Mechanism of the Enzymatic Hydrolysis of Biodegradable Plastics, BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 82(3), 338-346, MAR 15 2009
  25. Classification of OH Bonds and Infrared Spectra of the Topology-Distinct Protonated Water Clusters H3O+(H2O)(n-1) (n <= 7), JOURNAL OF PHYSICAL CHEMISTRY A, 113(8), 1586-1594, FEB 26 2009
  26. Search for Active-State Conformation of Drug Target GPCR Using Real-Coded Genetic Algorithm, Transactions of the Japanese Society for Artificial Intelligence, 24, 386-396
  27. Identification of chemical species of fluorescein isothiocyanate isomer-I (FITC) monolayers on platinum by doubly resonant sum-frequency generation spectroscopy, JOURNAL OF RAMAN SPECTROSCOPY, 39(11), 1694-1702, NOV 2008
  28. A Theoretical Insight into the Interaction of Fatty Acids Involved in Royal Jelly with the Human Estrogen Receptor beta, BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 81(10), 1258-1266, OCT 15 2008
  29. Thermally induced double proton transfer in GG and wobble GT base pairs: A possible origin of the mutagenic guanine, CHEMICAL PHYSICS LETTERS, 457(1-3), 232-236, MAY 20 2008
  30. Fundamental absorption frequencies and mean structures at vibrational ground state from quasi-classical direct ab initio MD: Triatomic molecule, CHEMICAL PHYSICS LETTERS, 452(4-6), 315-320, FEB 11 2008
  31. An insight into the environmental effects of the pocket of the active site of the enzyme. Ab initio ONIOM-molecular dynamics (MD) study on cytosine deaminase, JOURNAL OF COMPUTATIONAL CHEMISTRY, 29(3), 458-465, FEB 2008
  32. Two-dimensional free-energy surface on the exchange reaction of alkyl chloride/chloride using the QM/MM-MC method, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 10(6), 844-849, 2008
  33. Kinetic investigations of the process of encapsulation of small hydrocarbons into a cavitand-porphyrin, JOURNAL OF ORGANIC CHEMISTRY, 72(25), 9448-9455, DEC 7 2007
  34. Enumeration of topology-distinct structures and possible stable structures of protonated water clusters, H3O+(H2O)(n-1) (n <= 5), BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 80(11), 2131-2136, NOV 15 2007
  35. Ab initio ONIOM-Molecular dynamics (MD) study on the deamination reaction by cytidine deaminase, JOURNAL OF PHYSICAL CHEMISTRY B, 111(33), 9965-9974, AUG 23 2007
  36. The ONIOM molecular dynamics method for biochemical applications: Cytidine deaminase, CHEMICAL PHYSICS LETTERS, 437(1-3), 138-142, MAR 22 2007
  37. Photochemistry of 2-(methylamino)pyridine in a low-temperature argon matrix: Amino-imino tautomerism and rotational isomerism, JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, 187(1), 113-118, MAR 5 2007
  38. BSSE-corrected three-body interaction energy in the recognition of GC base pair by asparagine, CHEMISTRY LETTERS, 36(1), 124-125, JAN 5 2007
  39. Electronic states of the DNA polynucleotides poly(dG)-poly(dC) in the presence of iodine, PHYSICAL REVIEW B, 75(4), JAN 2007
  40. Dimerization and double proton transfer-induced tautomerism of 4(3H)-pyrimidinone in solution studied by IR spectroscopy and quantum chemical calculations, JOURNAL OF PHYSICAL CHEMISTRY B, 110(51), 26388-26395, DEC 28 2006
  41. H-bond patterns and structure distributions of water octamer (H2O)(8) at finite temperatures, CHEMICAL PHYSICS LETTERS, 427(1-3), 215-220, AUG 18 2006
  42. Population of 6-enol form is higher in 8-oxoguanine than in guanine, CHEMISTRY LETTERS, 35(8), 924-925, AUG 5 2006
  43. Photoinduced amino-imino tautomerism: An infrared study of 2-amino-5-methylpyridine in a low-temperature argon matrix, JOURNAL OF PHYSICAL CHEMISTRY A, 110(18), 6016-6022, MAY 11 2006
  44. A quantum chemical study of the catalysis for cytidine deaminase: Contribution of the extra water molecule, JOURNAL OF CHEMICAL INFORMATION AND MODELING, 46(3), 1276-1285, MAY 2006
  45. Quantum chemical study of the interaction of the short-chain poly(oxyethylene)s CH3(OCH2CH2)(m)OCH3 (C1EmC1; m = 1 and 2) with a water molecule in the gas phase and in solutions, JOURNAL OF PHYSICAL CHEMISTRY A, 110(3), 1052-1059, JAN 26 2006
  46. Ab initio MO and quasi-classical direct ab initio MD studies on the nitrogen inversion of trimethylamine, CHEMICAL PHYSICS LETTERS, 417(4-6), 316-319, JAN 10 2006
  47. Photoinduced amino-imino tautomerism of 2-aminopyridine in a low-temperature argon matrix, CHEMICAL PHYSICS LETTERS, 413(4-6), 306-310, SEP 26 2005
  48. Vibrational anharmonicity of acetic acid studied by matrix-isolation near-infrared spectroscopy and DFT calculation, CHEMICAL PHYSICS LETTERS, 413(4-6), 367-372, SEP 26 2005
  49. Photochemistry of p-toluidine in a low-temperature argon matrix. Infrared spectrum and geometrical structure of 4-methylanilino radical, CHEMICAL PHYSICS LETTERS, 403(4-6), 390-395, FEB 25 2005
  50. Fundamental absorption frequency from quasi-classical direct ab initio molecular dynamics: diatomic molecule, CHEMICAL PHYSICS LETTERS, 401(1-3), 170-174, JAN 1 2005
  51. An ab initio MO study on orbital interaction and charge distribution in alkali metal aqueous solution: Li+, Na+, and K+, JOURNAL OF SOLUTION CHEMISTRY, 33(6-7), 887-901, JUN-JUL 2004
  52. Protonation-induced conformational changes of 2-(N,N-dimethylamino)ethanethiol. Importance of strong N-H+ center dot center dot center dot S and N-H+ center dot center dot center dot S- hydrogen bonding, CHEMISTRY LETTERS, 32(9), 828-829, SEP 5 2003
  53. IR and Raman intensities in vibrational spectra from direct ab initio molecular dynamics: D2O as an illustration, JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 633(2-3), 247-255, AUG 29 2003
  54. Ab initio molecular dynamics studies on substitution vs electron transfer reactions of substituted ketyl radical anions with chloroalkanes: how do the two products form in a borderline mechanism?, JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 16(8), 475-483, AUG 2003
  55. Hydrogen bonding patterns in water clusters. Trimer, tetramer and pentamer, Internet Electronic Journal of Molecular Design, 2, 24-32, 20030401
  56. Dynamics-driven reaction pathway in an intramolecular rearrangement, SCIENCE, 299(5612), 1555-1557, MAR 7 2003
  57. Ab initio direct molecular dynamics simulations and QM/MM computations in search of organic reaction mechanisms, BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 75(12), 2555-2569, DEC 2002
  58. Enumeration of topology-distinct structures of hydrogen bonded water clusters, CHEMICAL PHYSICS LETTERS, 363(1-2), 106-110, SEP 2 2002
  59. A polarizable mixed Hamiltonian model of electronic structure for micro-solvated excited states. I. Energy and gradients formulation and application to formaldehyde ((1)A(2)), JOURNAL OF CHEMICAL PHYSICS, 117(3), 1242-1255, JUL 15 2002
  60. Analysis of borderline substitution/electron transfer pathways from direct ab initio MD simulations, CHEMICAL PHYSICS LETTERS, 353(3-4), 310-316, FEB 19 2002
  61. Evaluation of free energy landscape for base-amino acid interactions using ab initio force field and extensive sampling, BIOPOLYMERS, 61(1), 84-95, 2001
  62. Quantum chemical approach to radiation-induced DNA damage, SEIKAGAKU, 72(12), 1417-1420, DEC 2000
  63. Critical assessment of the hybrid QM/MM-pol-vib approach: Small water clusters using polarizable flexible water potentials, INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 77(1), 199-210, MAR 5 2000
  64. One transition state leading to two product states. ab initio MD simulations of the reaction of formaldehyde radical anion and methyl chloride, Chemical Physics Letters, 300, 583-587, 19990401
  65. Ab initio MD simulations of a prototype of methyl chloride hydrolysis with explicit consideration of three water molecule, Theoretical Chemistry Accounts, 102, 262-271, 19990401
  66. Free-energy maps of base-amino acid interactions for DNA-protein recognition, Journal of the American Chemical Society, 121, 6152-6157, 19990401
  67. An ab initio MO study on the hydrolysis of methyl chloride, Journal of Molecular Structure (Theochem), 461-462, 417-427, 19990401
  68. Raman Scattering Tensors of Tyrosine, Biospectroscopy, 4, 61-71, 19980401
  69. Electronic structure near the Fermi level and STM images of Pd(110) c(4x2)-benzene, Journal of Electron Spectroscopy and Related Phenomena, 88-91, 997-1002, 19980401
  70. An ab initio MO study on the hydrolysis of methyl chloride with explicit consideration of 13 water molecules, Chemical Physics Letters, 289, 105-109, 19980401
  71. Ab initio MD simulations on the hydrolysis of methyl chloride with explicit consideration of three water molecules, Chemical Physics Letters, 292, 474-480, 19980401
  72. Determination of the Three-Dimensional Structure of Crystalline Leu-Enkephalin Dihydrate Based on Six Sets of Accurately Determined Interatomic Distances from 13C-REDOR NMR and the Conformation-Dependent 13C Chemical Shifts, The Journal of Physical Chemistry, B102, 7476-7483, 19980401
  73. Direct observation of molecule-substrate antibonding states near Fermi level in Pd(110) c(4x2)-benzene, Physical Review Letters, 79, 3942-3945, 19970401
  74. Raman scattering tensors in thymine molecule from an ab initio MO calculation, Spectrochimica Acta, A53, 409-419, 19970401
  75. Vibrational modes in thymine molecule from an ab initio MO calculation, Spectrochimica Acta, A53, 393-407, 19970401
  76. Free radical chemistry of cigarette smoke and its implication in human cancer, Anticancer Research, 17, 433-438, 19970401
  77. Synthesis of novel dioxane nucleosides having two bases, physico-chemical properties, and their biological activities, Nucleic Acids Symposium Series, 5-6, 19970401
  78. An ab initio MO study on fragmentation reaction mechanism of thymine dimer radical cation, Journal of the American Chemical Society, 119, 12274-12279, 19970401
  79. An ab initio MO study on thymine dimer and its radical cation, International Journal of Quantum Chemistry, 57, 949-957, 19960401
  80. Molecular Dynamics Simulations of a Simple Tripeptide, N-acetyl-Pro-Gly-Phe in the Crystalline States. Distinction of the b-turn Type I from the Type II form, Journal of Molecular Structure (Theochem), 388, 187-200, 19960401
  81. Determination of the Three-dimensional Structure of a New Crystalline Form of N-Acetyl-Pro-Gly-Phe As Revealed by 13C-REDOR, X-Ray Diffraction, and Molecular Dynamics Calculation, The Journal of Physical Chemistry, 100, 14995-15004, 19960401
  82. Theoretical studies on specific interactions between biological molecules. Interaction of cationic arginine with anionic glutamic acid, Journal of Molecular Structure (Theochem), 311, 45-53
  83. Theoretical Studies on Hydrogen Bonding Interactions between Peptide Units, Bulletin of the Chemical Society of Japan, 66, 3423-3429, 19930401
  84. Ab initio force field for simulations of proteins and nucleic acids, International Journal of Quantum Chemistry, 42, 1353-1381, 19920401
  85. Molecular dynamics simulation in vacuo and in solution of Cyclolinopeptide A. A conformational study, Biopolymers, 31, 1017-1024, 19910401
  86. Ab initio molecular orbital study of the mispairing ability of a nucleotide base analogue, N4-aminocytosine, Biochemical and Biophysical Research Communications, 153, 552-557
  87. Intermolecular Nuclear Overhauser Effect and Atomic Pair Potential Approaches to Wheat Germ Agglutinin - Sugar Binding, 6, 593-608, 1988
  88. 13C NMR spectra of para-substituted methoxybenzenes and phenols in the solid state. Examination of chemical shift non-ezuivalence in ortho and meta carbons related to non-ezuivalent electron distibution, and application to assignment of peaks inmeso-hexestrol and its derivatives, Magnetic Resonance in Chemistry, 26, 155-161
  89. Molecular orbital studies of the action of thyroid hormone analogs. effects on oxygen consumption of mitochondria and horseradish peroxidase-catalyzed NADH oxidation, Journal of Biological Physics, 16, 17-23
  90. Synthesis and properties of purinophanes. Relationship between the magnitude of hypochromism and stacking geometry of purine rings, Journal of the American Chemical Society, 110, 2192-2201, 19880301
  91. Ab initio molecular orbital study on the pairing and stacking interactions between nucleic acid bases in relation to the biological activities, Journal of Molecular Sturcture (Theochem), 179, 451-466
  92. An ab initio molecular orbital study on the sequence-dependency of DNA conformation: An evaluation of intra- and inter-strand stacking interaction energy, Journal of Theoretical Biology, 130, 327-335, 19880207
  93. Characteristics of the Watson-Crick type hydrogen-bonded DNA base pairs: An ab initio molecular orbital study, Journal of Computational Chemistry, 9, 362-368, 19880601
  94. Reaction of 5-trifluoromethyl-2’-deoxyuridine and 1-methyl-5-trifluoromethyluracil with methoxyamine: model studies for the interaction between thymidylate synthetase and 5-trifluoromethyl-2’-deoxyuridine 5’-phosphate, Journal of the Chemical Society Perkin Transaction 1, 2141-2147
  95. An ab initio molecular orbital study on the characteristics of 8-hydroxyguanine, Mutation Research, 192, 83-89, 19871001
  96. Analysis of the pi-electronic structure of infinitely large networks. I. Some remarks on the characteristic polynomial and density of states of large polycyclic aromatic hydrocarbons, Journal of Computational Chemistry, 8, 358-366, 198706
  97. An ab initio MO study on the disulfide bond. properties concerning the characteristic S-S dihedral angle, Theoretica Chimica Acta, 70, 73-80
  98. An ab initio molecular orbital study on the stacking interaction between nucleic acid bases. Dependence on the sequence and relation to the conformation, International Journal of Quantum Chemistry, 29, 1253-1261, 198605
  99. An explanation of the induction of mutations by 2-aminopurine from an ab initio molecular orbital study, Mutation Research, 173, 49-54, 198601
  100. A high-resolution solid-state 23Na NMR study of sodium complexes with solvents, small ligand molecules, and ionophores. 23Na chemical shifts as means for identification and characterization of ion-ion, ion-solvent, and ion-ligand interactions, Bulletin of the Chemical Society of Japan, 59, 1957-1966, 19860627
  101. An ab initio MO study on the thiol-disulphide exchange reaction, Chemical Physics Letters, 112, 129-132, 19841130
  102. Ab initio molecular orbital study of the interaction of Li+, Na+ and K+ with the pore components of ion channels: Consideration of the size, structure and selectivity of the pore of the channels, Journal of theoretical Biology, 110, 569-585, 19841021
  103. Ab initio molecular orbital study on the mechanism of the Haber-Weiss reaction, Journal of Biological Physics, 12, 39-43, 198409
  104. An electron spin resonance study on the free radicals produced from aclacinomycin A and its derivatives. Analysis of hyperfine structure of the spectra by means of molecular orbital method, Cancer Biochemistry Biophysics, 6, 243-247, 19830401
  105. Ab initio molecular orbital study on the thermostability of the extreme thermophile tRNA: Role of the base stacking, Journal of theoretical Biology, 99, 599-608, December 7 1982
  106. Why O6-alkylguanine is specifically promutagenic? Ab initio molecular orbital consideration, Mutation Research, 105, 1-8, August 1982
  107. Structure and hypochromism of (6,9)(9’,6’) purinophanes, Tetrahedron Letters, 23, 3061-3064, 1982
  108. Ab initio MO study on base stacking. adenine - adenine interaction in single-stranded polyadenylic acid (poly A), Chemical Physics Letters, 86, 44-46, Feb 5 1982
  109. MO- and VB- benzene characters. Analysis of the ’Clar’s aromatic sextet’ in polycyclic aromatic hydrocarbons, Tetrahedron, 36, 1317-1326, 1980

Publications such as books

  1. 2017/03, Enrichment of Education and Research at Hiroshima University through the Top Global University Project, 978-4-86637-002-06, 115, 7-23
  2. 2012, Digraphs in Chemistry: All Possible Structures and Temperature-Dependent Distribution of Water Clusters, Springer, Misako Aida, Dai Akase, Hideo Doi, Tomoki Yoshida
  3. 2000, Modeling of reactivities of organic molecules by means of ab initio MD method, Vieweg, M. Aida, H. Yamataka and M. Dupuis
  4. 1999, Radiation-induced DNA damage and repair. an approach from ab initio MO method , Elsevier, 1999
  5. 1997, Derivation and assessment of a new set of ab initio potentials and its application to molecular dynamics simulations of biological molecules in vacuo, in crystal and in aqueous solution , World Scientific Publishing, 1997
  6. 1996, Microscopic Observation of Molecules in Adsorption and Reaction on Metal Surfaces. Benzene on Pd(110) , Proceedings of Oji Seminar on Chemical Processes at Surface based on Atomic Scale Structure and Dynamics, 1996, Jun Yoshinobu, Maki Kawai, Issei Imamura, Fumiyuki Marumo, Misako Aida, Hiroyuki Tanaka and Tomoji Kawai
  7. 1993, Ab initio force field for simulations of proteins and nucleic acids: Application to molecular dynamics simulations in aqueous solution, Elsevier Science Publishers, M. Aida, G. Corongiu and E. Clementi
  8. 1991, Molecular dynamics simulations with ab initio interaction potentials, ESCOM Science Publishers, G. Corongiu, M. Aida, M.F. Pas and E. Clementi
  9. 1990, Monte Carlo and molecular dynamics simulations, ESCOM Science Publishers, E. Clementi, G. Corongiu, M. Aida, U. Neisar and G. Kneller
  10. 1985, Pairing and stacking interactions between nucleic acid bases in relation to the biological functions of nucleic acids , Japan Scientific Societies Press, 1985
  11. 1980, Metabolically generated free radicals from many types of chemical carcinogens and binding of the radicals with nucleic acid bases , D. Reidel Publishing Company, 1980

Invited Lecture, Oral Presentation, Poster Presentation

  1. The Role of Professional Organizations and Programs in Driving Changes, Misako AIDA, (Panel Discussions: Women in Chemistry) The 46th World Chemistry Congress of the International Union of Pure and Applied Chemistry (IUPAC2017), 2017/07/11, With Invitation, IUPAC, São Paulo (Brazil)
  2. Changing the face of Hiroshima University, Misako Aida, he International Chemical Congress of Pacific Basin Societies 2015 (Pacifichem2015), 2015/12/17, With Invitation
  3. Theoretical study on the mutual influence of water and biomolecules, Misako Aida, The International Chemical Congress of Pacific Basin Societies 2015 (Pacifichem2015), 2015/12/15, Without Invitation
  4. Analysis of hydrogen bond energies and hydrogen bonding networks in water clusters using the locally projected molecular orbital perturbation theory, Dai Akase, Misako Aida, Koichi Ohno, Suehiro Iwata, The International Chemical Congress of Pacific Basin Societies 2015 (Pacifichem2015), 2015/12/17, Without Invitation
  5. Helmholtz Energy Change between Neutral and Zwitterionic Forms of Glycine in Aqueous Solution, Misako Aida, Hidenori Miyamoto, 5th JCS International Symposium on Theoretical Chemistry, 2013/12/03, With Invitation, Nara
  6. Specificity of Amino Acid Residue: Dipole Moment and Dispersion Force, Misako Aida, Pepcon-2011, 2011/03, With Invitation, Beijing, China
  7. Sequence specificity of base-pair stacking interaction energy in B-DNA, Misako Aida, Nana Hattori, Ryuta Masaki, Masato Tanaka, Michio Katouda, Shigeru Nagase, The International Chemical Congress of Pacific Basin Societies (Pacifichem2010), 2010/12, With Invitation, Honolulu, Hawaii, USA
  8. Quantum life chemistry from computational chemistry and chemical information, Misako Aida, Hiroshi Ando, Nahoko Furuta, Miki Maeda, The International Chemical Congress of Pacific Basin Societies (Pacifichem2010), 2010/12, With Invitation, Honolulu, Hawaii, USA
  9. Promotion of gender equality in education and research in Hiroshima University, Misako Aida, The International Chemical Congress of Pacific Basin Societies (Pacifichem2010), 2010/12, Without Invitation, Honolulu, Hawaii, USA
  10. Quasi-Classical Direct ab initio MD Studies on Large Molecules, Misako Aida, XIIth International Congress of Quantum Chemistry Satellite Symposium ‘Large Molecular Systems’, 2006/05, With Invitation
  11. Quasi-Classical Direct ab initio MD Studies on Large Molecules, Misako Aida, ICQC Satellite Symposium (Large Molecular Systems), 2006/05, With Invitation
  12. Hydrogen Bonding Patterns in Water Clusters and Biological Systems, Misako Aida, Singapore International Chemical Conference-3, 2003/12, With Invitation, Singapore
  13. Enumeration of topology-distinct structures of hydrogen bonded water clusters, Misako Aida, Thirty-First Year of the Topological Index Z, 2002/10, With Invitation
  14. Free energy maps of DNA base pair-amino acid side chain interactions, Misako Aida, 4th International Symposium on InterMaterials, 2001/02, With Invitation
  15. Modeling of reactions in solution by means of ab initio MD, Misako Aida, Eighth Conference on Current Trends in Computational Chemistry, 1999/11, With Invitation, Jackson, USA

Awards

  1. 2017年07月09日, IUPAC 2017 Distinguished Women in Chemistry or Chemical Engineering, IUPAC (The International Union of Pure and Applied Chemistry)

Social Activities

History as Committee Members

  1. Council Member of Science Council of Japan, 2017/10, 2023/09, Science Council of Japan
  2. Member of Science Council of Japan, 2011/10, 2017/09, Science Council of Japan
  3. Director of Chemical Society of Japan, 2015/05, 2017/05, Chemical Society of Japan
  4. Committee of the Japan Society for Molecular Science, 2014/09, 2017/08, Japan Society for Molecular Science
  5. Committee of Japan Society for Molecular Science, 2008/09, 2011/08, Japan Society for Molecular Science
  6. Branch Manager of Chugoku-Shikoku Branch of the Chemical Society of Japan, 2008/02, 2009/01, Chemical Society of Japan