Joint Conference of EMLG/JMLG Meeting 2018 and 41st Symposium on Solution Chemistry of Japan

Program

Sunday, November 4

Opening Lecture
17:00–17:50
Dynamics of protein-water interaction and conformation changes during reactions
Masahide Terazima
Reception
18:00–

Monday, November 5

IL01
09:00–09:40
Like likes like in ionic liquids: When cooperative hydrogen bonding overcomes Coulomb repulsion between ions of like charge
A. Strate, T. Niemann, P. Stange, J. Neumann, D. Paschek, R. Ludwig
T01
09:40–10:00
Hydrogen bonding interactions in ionic liquids and in their mixtures with molecular solvents
Tot Aleksandar, Yevheniia Smortsova, François-Alexandre Miannay, Volodymyr Koverga, Gadzuric Slobodan, Oleg Kalugin, Abdenacer Idrissi
T02
10:00–10:20
Homogeneous mixing of imidazolium-based ionic liquids with DMSO caused by the strong hydrogen bonds between them
Toshiyuki Takamuku, Takumi Tokuda, Takahiro Uchida, Kazuya Sonoda, Bogdan A. Marekha, Abdenacer Idrissi, Osamu Takahashi, Yuka Horikawa, Junya Matsumura, Takashi Tokushima, Hiroyuki Sakurai, Masahiro Kawano, Koichiro Sadakane, Hiroki Iwase
T03
10:20–10:40
Solvation and dissolution of simple sugars in water and an ionic liquid
György Hantal, Marcello Sega, Elixabete Rezabal, Christoph Dellago

Break

IL02
11:00–11:40
The origin of the anomalous properties of water
Anders Nilsson
T04
11:40–12:00
Molecular interactions in aqueous solutions studied by soft X-ray absorption spectroscopy
Masanari Nagasaka, Hayato Yuzawa, Nobuhiro Kosugi
T05
12:00–12:20
A generalized Langevin analysis for inelastic x-ray scattering data on molecular liquids
Shinya Hosokawa, Koji Yoshida
T06
12:20–12:40
D3 at the ILL: structural studies of hydrogenous liquid and amorphous systems using polarized neutrons
Anne Stunault, Gabriel J. Cuello, Sébastien Vial

Lunch

IL03
14:00–14:40
Structure and dynamics of water at the interface
Tahei Tahara
T07
14:40–15:00
Kinetic pathways of hydrogen bonds break in supercooled water
Kang Kim, Takuma Kikutsuji, Nobuyuki Matubayasi
T08
15:00–15:20
Characterization of tannin-furanic foams by Raman spectroscopy, infrared spectroscopy, and by X-ray computed microtomography
Maurizio Musso, Andreas Reyer, Gilles Bourret, Gianluca Tondi, Thomas Sepperer, Barbara Rossi, Francesco D’Amico, Lisa Vaccari, Nicola Cefarin, Nicola Sodini, Giovanni Birarda, Giuliana Tromba, Sandro Donato, Diego Dreossi

Break

IL04
15:40–16:20
Dynamics of water, aqueous solutions, and proteins studied by nonlinear IR spectroscopy and broadband dielectric spectroscopy
Keisuke Tominaga
T09
16:20–16:40
Interactions and dynamics in xylitol-water mixtures
I. Plowas-Korus, R. Buchner
T10
16:40–17:00
Intermolecular vibrations of 1-methyl-3-octylimidazolium tetrafluoroborate and poly(ethylene glycol) mixtures
Masatoshi Ando, Hideaki Shirota
Poster Session 1
17:10–18:50
JASC General Assembly (only for JASC members, in Japanese)
18:50–19:30

Tuesday, November 6

IL05
09:00–09:40
Chemical reactivity at aqueous interfaces
Stéphanie Essafi, Damien Laage
T11
09:40–10:00
Surface structure of ice Ih revealed by sum frequency generation spectroscopy and theoretical modeling
Shoichi Yamaguchi, Yuki Nojima, Hajime Torii
T12
10:00–10:20
Self-diffusion of water and cyclohexane in supercritical mixture studied by NMR and MD
Ken Yoshida, Masaru Nakahara
T13
10:20–10:40
Thermal behavior, structure, and dynamic properties of 1,4-dioxane-water binary solutions confined in mesoporous silica MCM-41
Toshio Yamaguchi, Toshio Urabe, Koji Yoshida, Shigeharu Kittaka, Fanni Juranyi, Marie-Clare Bellissent-Funel
Poster Session 2
10:50–12:30

Lunch

IL06
14:00–14:40
Contact vs. solvent-separated ion pairs in protic ionic liquid – molecular liquid mixtures
Alessandro Triolo, Fabrizio Lo Celso, Natalia Plechkova, Francesca Leonelli, Olga Russina
T14
14:40–15:00
Copper chloro complexation thermodynamics in ionic liquid, 1-butyl-3-methylimidazolium trifluoromethanesulfonate
Shuma Uchida, Hitoshi Kodamatani, Takashi Tomiyasu, Ryo Kanzaki
T15
15:00–15:20
Ionic liquids: Analyzing transport properties with non-equilibrium thermodynamics and statistical mechanics
Kenneth R. Harris
T16
15:20–15:40
Energy harvesting and storage using task-specific ionic liquids
José Nuno Canongia Lopes, Karina Shimizu, Carlos E. S. Bernardes, Adilson A. Freitas

Break

Young Scientist Session

S01
16:00–16:15
Hydration, dynamics and ion-binding of L-glutamate in water: A dielectric spectroscopy study
S. Friesen, R. Buchner
S02
16:15–16:30
Temperature dependence of low-frequency spectra in pyrrolidinium-based ionic liquids
Shohei Kakinuma, Hideaki Shirota
S03
16:30–16:45
Hydrogen bonds between like-charged ions in ionic liquids: A molecular dynamics simulation study
J. Neumann, D. Paschek, R. Ludwig
S04
16:45–17:00
High energy X-ray scattering studies on nano-segregated liquid structure of pseudo protic ionic liquids
Hikari Watanabe, Nana Arai, Erika Nozaki, Yasuo Kameda, Yasuhiro Umebayashi
S05
17:00–17:15
Thermodynamic and interfacial properties of CO2-acetone mixtures
Balázs Fábián, George Horvai, Abdenacer Idrissi, Pál Jedlovszky
S06
17:15–17:30
Excited state proton transfer of 5,8-dicyano-2-naphthol in supercritical alcohol assessed by diffusion-controlled reaction model
Kaori Fujii, Megumi Aramaki, Yoshifumi Kimura
S07
17:30–17:45
Multi-reference perturbation theory with the reference interaction site model (RISM) for calculating bio-imaging probes
Ryosuke Y. Shimizu, Takeshi Yanai, Yuki Kurashige, Daisuke Yokogawa
S08
17:45–18:00
Impact of pluronic block copolymers on the mechanical properties and the phase behaviour of lipid membranes: a computational study
Afroditi Maria Zaki, Paola Carbone

Wednesday, November 7

IL07
09:00–09:40
Assembly and disassembly of virus capsids: Biology recapitulates physics
Adam Zlotnick
T17
09:40–10:00
Molecular dynamics study on lipid bilayers modeling cell plasma membranes with asymmetric lipid composition
Y. Andoh, S. Hayakawa, S. Okazaki
T18
10:00–10:20
Multiscale multiphysics of liquid solutions of complex molecular systems
Dmitry Nerukh, Elvira Tarasova, Vladimir Farafonov, Nikita Visencuk Visenko, Aleksey Pozhilenkov, Sergey Karabasov, Ivan Korotkin, Marina Bakumenko, Elizaveta Berezovska
T19
10:20–10:40
Developing a temperature-dependent coarse grained model for aqueous non-ionic surfactant solution simulations
Mark Griffiths, Wataru Shinoda
T20
10:40–11:00
On the aggregation of cyclodextrins in solution
Artur J. M. Valente, Tânia F. Cova, Alberto A. A. C. Pais, Olle Söderman

Break

IL08
11:20–12:00
WATER: From supercooled liquid to supersaturated steam
Ivo Nezbeda
T21
12:00–12:20
Quantized thermodynamic properties from the analysis of smoothed trajectories: Pilot study for water
Dénes Berta, Dávid Ferenc, Imre Bakó, Ádám Madarász
T22
12:20–12:40
Recent progress and development toward incorporation of quantum chemical effects by size-consistent multipartitioning quantum mechanical / molecular mechanical method
Hiroshi Watanabe

Lunch

IL09
14:00–14:40
Role of intermolecular interaction in controlling structure and physicochemical properties of liquid
Seiji Tsuzuki
T23
14:40–15:00
Mixing two neat liquids in computer simulation: free energy calculation and local structure analysis
Pál Jedlovszky, Balázs Fábián, Bálint Kiss, Milán Szőri, Abdenacer Idrissi
T24
15:00–15:20
The phase behavior of poly(vinylidene fluoride)/N-methyl-2-pyrrolidone/water ternary system
Tseden Taddese, Kitabata Masahiro, Susumu Okazaki
T25
15:20–15:40
New perspectives on polymer entanglements and dynamics: Insights from simulations and molecular correlations
Kyle Wm. Hall, Timothy Sirk, Simona Percec, Michael L. Klein

Social event

Banquet

Thursday, November 8

IL10
09:00–09:40
Association of like-charged, arginine-rich peptides in solution
Mikael Lund
T26
09:40–10:00
Selection, folding, stability and aggregation of proteins in a water-protein coarse grain model
Valentino Bianco, Giancarlo Franzese, Christoph Dellago, Ivan Coluzza
T27
10:00–10:20
Folding transition of a model protein molecule studied by the multicanonical generalized hybrid Monte Carlo method
Natsuki Mukuta, Shinichi Miura

Break

IL11
10:40–11:20
Computational methods for predicting properties of organic compounds: at the interface between molecular theories and machine learning
Maxim V. Fedorov, Maksim Misinr, Sergey Sosnin
T28
11:20–11:40
Role of Mg2+ ions in DNA hydrolysis by EcoRV, studied by 3D-RISM and MD
Itaru Onishi, Shunya Sunaba, Norio Yoshida, Fumio Hirata, Masayuki Irisa
T29
11:40–12:00
Multiscale modeling of hybrid solar cells for photovoltaic applications by means of the integral equation theory of molecular liquids
Alexander E. Kobryn
EMLG/JMLG General Assembly
12:00–12:40
Contact
E-mail: emlg_jmlg2018 [at] ogmail.apchem.nagoya-u.ac.jp (replace [at] to @)
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