Program
Wednesday 21 November
15:00 – 17:50
Registration (Plaza50)
18:00 – 18:15 Opening (Room 831)
18:15 – 19:00 Plenary Lecture (Room 831)
[Chair: Masaru Nakahara]
What has been clarified by Japanese scientists and what remains unsolved ahead of us in the field of solution chemistry
Hiroyasu Nomura
19:00 – 21:00
Reception (Cafeteria 2F)
Thursday 22 November
9:00 – 11:00 General 1 (Room 831)
[Chair: Philippe A. Bopp]
A01L New Trends in Structural Characterization of Supramolecular Architectures in Solution Phase
Gábor Pálinkás
A02L On the Solvation of Complexly Shaped Molecules: The Morphometric Approach
Roland Roth
A03T Towards a Statistical Mechanical Theory for Water: Analytic Theory for a Non-Speculative Reference Model and Its Anomalies
Ivo Nezbeda
A04T Approach of Rheo-Optical Spectroscopy by Means of Polarization Analysis of a Diffracted Light by a Longitudinal Ultrasound
Tatsuro Matsuoka, Junki Miyashita, Shinobu Koda
A05T Influence of Diffusion on Bimolecular Reaction Rates: Why Are the Diffusion Coefficients Obtained from the Transient Effect of Bimolecular Fluorescence Quenching Reaction Smaller than Those Obtained from Conventional Methods?
Toshihiro Tominaga, Sanjay Pant, Hiroyasu Ohtaka-Saiki, Makoto Takezaki, Andrew Scully, Satoshi Hiayama
11:00 – 11:30 Coffee Break
11:30 – 13:00 Ionic Liquids 1 (Room 831)
[Chair: Renzo Vallauri]
B01L Cooperative Dynamics of Mixtures of Ionic Liquids with Polar Solvents
Richard Buchner
B02T Corresponding States Analysis and Criticality of the Liquid-Liquid Phase Transition of Ionic Liquids in Solution
Wolffram Schröer, Dragos Saracsan, Anna Butka, Vlad Vale
B03T Molecular and Liquid Structures of Low-viscosity Room Temperature Ionic Liquid, 1-Ehtyl-3-methylimidazolium Bis(fluorosulfonyl) Imide
Kenta Fujii, Shiro Seki, Shuhei Fukuda, Toshiyuki Takamuku, Shinji Kohara, Yasuo Kameda, Yasuhiro Umebayashi, Shin-ichi Ishiguro
B04T 7Li NMR Studies on Exchange Reaction of Lithium Ion with Cryptand C211 in N,N-dimethyl-N-methyl-N-(2-methoxyethyl)ammonium Bis-(trifluoromethylsulfonyl)imide
Atsushi Shirai, Yasuhisa Ikeda
13:00 – 14:30 Lunch
14:30 – 15:40 Ionic Liquids 2 (Room 831)
[Chair: Shin-ichi Ishiguro]
B05L Ionic Liquids as Gas Absorption Media
Mitsuhiro Kanakubo, Yasuo Kameda
B06T Transport Properties of Ionic Liquids at High Pressure
Kenneth R. Harris, Mitsuhiro Kanakubo, Noriaki Tsuchihashi, Kazuyasu Ibuki, Masakatsu Ueno
B07T Micro-solvent Cluster Extraction in Mixed Solvents: Ionic Liquids for Separation of Neutral Organic Compounds
Masaaki Tabata
15:40 – 16:10 Coffee Break
16:10 – 18:10 Young Scientists (Room 831)
[Chair: Maurizio Musso and Hajime Torii]
Y01 Self-association Properties of Alkanols: A Vibrational Spectroscopy Study
Francesca Palombo, Marco Paolantoni, Paola Sassi, Assunta Morresi, Rosario Sergio Cataliotti, Thierry Tassaing, Yann Danten, Marcel Besnard
Y02 An Integral Equation Theory for Inhomogeneous Molecular Fluids: The Reference Interaction Site Model Approach
Ryosuke Ishizuka, Song-Ho Chong, Fumio Hirata
Y03 Photo-Thermalization Kinetics of Azulene Derivative Solutions Studied by the Transient Grating Spectroscopy
H. Fujiwara, T. Miyajima, Y. Matano, M. Terazima, Y. Kimura
Y04 Ab-Initio Modelling of Structural, Electronic and Magnetic Properties of Free and Supported Prophyrin molecules
Pooja M. Panchmatia, Biplab Sanyal, P. M. Oppeneer, O. Erkisson
Y05 Three-dimensional Solvation Structure around Protein: Theoretical Approach Based on Reference Interaction Site Model
Daisuke Yokogawa, Hirofumi Sato, Shigeyoshi Sakaki
Y06 Coarse-Graining Ions in Colloidal Suspensions for the Study of Transport Properties
Vincent Dahirel
Y07 Molecular Dynamics Simulation of Thermocapillary Convections at Liquid-Liquid Interfaces
Holger A. Maier, Philippe A. Bopp, Manfred J. Hampe
Y08 Self-diffusion and Rotation in Supercritical Water and Benzene and Their Dependencies on the Solvation Shell State and Lifetime
Ken Yoshida, Nobuyuki Matubayasi, Masaru Nakahara
18:10 – 18:30 Award Lecture (Room 831)
Young Scientist Award in Solution Chemistry
[Chair: Toshihiro Tominaga]
Theoretical Study on the Ion Pair Dynamics in the Bulk Relaxation Spectra and Conductivity of Electrolyte Solutions
Tsuyoshi Yamaguchi
Friday 23 November
9:00 – 11:00 General 2 (Room A201)
[Chair: Masao Takayanagi]
C01L Theoretical Multidimensional Spectroscopy of Water
Shinji Saito
C02T Low-Frequency Spectra of Polar Solute Molecules in Non-Polar Solvents by Terahertz Time-Domain Spectroscopy
Partha Dutta, Keisuke Tominaga
C03L The Effect of Microscopic Inhomogeneities in Binary Liquid Mixtures Observed through the Raman Spectroscopic Noncoincidence Effect
Maurizio Musso, Maria Grazia Giorgini, Hajime Torii
C04T Solvation Behavior of Diol Molecule in Alcohol-Water Mixtures
Toshiyuki Takamuku, Miho Tanaka, Takunosuke Sako, Kenta Fujii, Munetaka Takeuchi
C05T Models of Internal Parameters for Studying Supramolecular Ordering in Liquids in Nanoscale of Intermolecular Distances
Vladimir A. Durov
11:00 – 11:30 Coffee Break
11:30 – 13:00 Liquids in Confined Geometry and at Interface (Room A201)
[Chair: Marie-Claire Bellissent-Funel]
D01L Water Surface Is Acidic
Pavel Jungwirth, Victoria Buch, Anne Milet, Robert Vácha, J. Paul Devlin
D02L Surfactant Self-Assembly in Silica Nanopores
Gerhard Findenegg
D03L New Aspects in the Theory of Electrical Double Layer
Myroslav Holovko, Jean-Pierre Badiali, Dung di Caprio
13:00 – 14:30 Lunch
14:30 – 16:40 Micelles and Macromolecular Solutions (Room A201)
[Chair: Susumu Okazaki]
E01L Microemulsions as Models
Håkan Wennerström
E02L Interactions between cholesterol and phospholipids in lipid bilayers: Insights from detailed molecular simulations
Max L. Berkowitz
E03L Phase Transitions of Polymers under Complex Conditions
Se'verine Boyer
E04T Solution Behavior of Poly(L-lysine)-Surfactant Complexes
Laszlo Almasy, Sirkku Hanski, Susanna Junnila, Janne Ruokolainen, Olli Ikkala
E05T Combination of Molecular Dynamics Method and 3d-RISM Theory for Conformational Sampling of Flexible Molecules in Solution
Tatsuhiko Miyata, Fumio Hirata
16:40 – 17:10 Coffee Break
17:10 – 19:10 Poster 1 - Odd Number (Oasis)
Saturday 24 November
9:00 – 10:50 Biomolecular Solutions 1 (Room A201)
[Chair: Masahide Terazima]
F01L Hydration and Volumetric Properties of Unfolded Polypeptides
Tigran V. Chalikian
F02T Hydrogen-Bonding Strengths of the Water in Aqueous Solutions of Polypeptides Probed by ν(O-D) in IR and δH2O in NMR
Kazuko Mizuno
F03T Effects of Complex Sugar and Salt Solutions on Biopolymers: An in Silico Study
Maxim V Fedorov, Jonathan M Goodman, Stephan Schumm
F04T Heat Capacity of Protein and Hydration Entropy
Hitomi Kitazato, Masayuki Irisa
F05T Evidence of Hyper-Mobile Water: Enhanced Proton Diffusion Coefficients in F-Actin Solutions with Bound Myosin S1 by PFG-SE NMR
Makoto Suzuki, Xinying Gan, Tetsuichi Wazawa, Takashi Miyazaki
10:50 – 11:20 Coffee Break
11:20 – 12:50 Biomolecular Solutions 2 (Room A201)
[Chair: Tigran V. Chalikian]
F06L Role of Cell Membrane in General Anaesthetic Action
P. L. Chau
F07T Protein-Protein Interaction and Its Implication in Medical Application of Artificial Blood Substitutes
Takaaki Sato, Hiromi Sakai, Keitaro Sou, Teruyuki Komatsu, Akito Nakagawa, Otto Glatter, Richard Buchner, Eishun Tsuchida
F08T Conformational Dynamics of Mg:ADP/Mg:ATP and Mg2+ Coordination Dynamics in F1-ATPase and Other Molecular Motors
Alexe Bojovschi, Ming S. Liu, Richard Sadus
F09T Time-resolved Thermodynamics and Diffusion for Detecting Conformation Changes during Functions of Biological Proteins
Yusuke Nakasone, Takeshi Eitoku, Daisuke Matsuoka, Satoru Tokutomi, Masahide Terazima
12:50 – 14:00 Lunch
14:00 – 16:00 Poster 2 – Even Number (Oasis)
16:00 – 16:30 Coffee
16:30 – 17:30 Award Lecture (Room A201)
Distinguished Research Award in Solution Chemistry
[Chair: Fumio Hirata]
Spectroscopic Study on Solvation, Reaction and Molecular Dynamics in Supercritical Fluids
Yoshifumi Kimura
Solution Chemistry of Supercritical Water through Development of High-Temperature NMR Spectroscopy and Solution Theory
Nobuyuki Matubayasi
17:30 – 18:10 Assembly SSCJ30 (Room A201)
18:10 – 18:50 Assembly EMLG/JMLG (Room A201)
19:00 – 21:00 Banquet (Restaurant 16F)
Sunday 25 November
9:00 – 10:50 General 3 (Room A201)
[Chair: Gábor Pálinkás]
G01L Molecular Dynamics Simulations of Aqueous LiCl Solutions: Concentration and Model Dependence
Kazuyasu Ibuki, Philippe A. Bopp
G02T The Structure of Aqueous Rb and Cs Halide Solutions from Reverse Monte Carlo Modelling of Diffraction Data
Laszlo Pusztai
G03T The Nature of Chemical Bond in Solvated Systems: An Analysis Based on the New Resonance Theory
Atsushi Ikeda, Hirofumi Sato, Shigeyoshi Sakaki
G04T Comparison of the Application of Specific Ion Interaction and Debye-Hückel Theories for the Tungsten(VI) Complexes with EDDA and NTA
Kavosh Majlesi
G05T Stability and Structure of the Ternary Complexes of La(III) with Beta-Diketone and Polyethers in Solution
Gene Frederick Gagabe, Keiichi Satoh, Kiyoshi Sawada
10:50 – 11:20 Coffee Break
11:20 – 13:00 Liquids under Extreme Conditions 1 (Room A201)
[Chair: Pavel Jungwirth]
H01L Peculiar Structural and Dynamic Properties of Hydration Water. A Liquid-Liquid Transition
M.-C. Bellissent-Funel
H02L Nature of Liquid-Liquid Transition in Single-Component Molecular Liquids
Hajime Tanaka
H03T Coupling/Decoupling between Translational and Rotational Motions in Supercooled Molecular Liquid
Song-Ho Chong, Walter Kob
H04T Structure of Supercooled Water
Haruhiko Yokoyama, Miyoko Kannami, Hitoshi Kanno
13:00 – 14:20 Lunch (Cafeteria 1F)
14:20 – 15:50 Liquids under Extreme Conditions 2 (Room A201)
[Chair: Nobuyuki Matubayasi]
H05L New Insight on Aqueous Solution by Spectroscopy Analysis: Raman, XAS, IXS, SAXS and WAXS
Jean-Louis Hazemann
H06T Polarized and Depolarized Raman Scattering Spectra of Supercritical Water
Yasunori Tominaga, Mika Murai, Yuko Amo
H07T Neutron Diffraction with Isotope Substitution of Supercritical Methanol-Water Mixture
Koji Yoshida, Yu Sakai, Shigeru Ishida, Daniel Bowron, Toshio Yamaguchi
H08T New Acoustic and Fibre Optic Approaches to Probing of High-Pressure and High-Temperature Media
Vladimir K. Popov, Victor N. Bagratashvili, Yuri E. Gorbaty, Alexey N. Konovalov, Toshio Yamaguchi
15:50 – 16:00 Closing