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