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IBS Institute for Basic Science

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Modulation of the Hydrogen Bonding Structure of Water by Renal Osmolytes FEMTO12-2015 Summary: The mammalian kidney is known to accumulate various osmolytes to counteract the deleterious effects of urea and salt concentrations. The mode of operation of osmolytes has long been a controversial issue. One school of thought is direct interactions of osmolytes with protein backbone [1]. While the other believes indirect actio... RegDate 2015-10-01 Hit 3195
Vibrational solvatochromism of CN and SCN probes revisited ALTA 2015 Summary with reference: Solvatochromism of small vibrational infrared (IR) probes have been widely used to probe local molecular environments when either dissolved in bulk liquid or inserted in biomolecules and bioorganic materials. One of the most direct and easy-to-measure observables related with probe-environent interaction is the vibrat... RegDate 2015-10-01 Hit 5075
Vibrational Solvatochromism from First-Principles:SolEFP Method Korean Chemical Society (KCS) Meeting from 2014 RegDate 2015-10-01 Hit 3078
Spectral analysis of kinetic energies in non-equilibrium system by spectral density of kinetic energy (KESD) approach : HOD in D2O Summary: Vibrational energy relaxation can prove the time evolution of the environment near vibrational excitation. Especially, in HOD in D2O system, OH stretching vibrations are localized on their bonds whereas vibrations of water are localized over the molecules, which can show more clear information of water H-bonding structure. We used equilibrium ... RegDate 2015-10-01 Hit 3184
Two-dimensional electronic spectroscopy using optical pulse shaper :Origin of coherent oscillations in Zn-Naphthalycanine aggregate Summary: We carried out two-dimensional electronic spectroscopy (2DES) for a mixture of Znnaphthalocyanine (ZnNPc) molecular aggregate and its monomer to further investigate the long-lived coherence observed in the 2DES. And we successfully measured the time-resolved 2D electronic spectra of ZnNPc using the optical pulse shaper. One eye-catching figure: RegDate 2015-10-01 Hit 2909
Study of Stimulated Raman Spectroscopy for chiral molecules Summary: These studies were carried out using the stimulated Raman spectroscopy such as benzene, toluene and α-pinene. Our results indicate that molecules which have Raman active modes are well matched with spontaneous Raman spectrum. We performed the stimulated Raman spectroscopy for various molecules such as benzene, toluene, (+)-a-pinene, and (-)-l... RegDate 2015-10-01 Hit 5777
IR Pump-Probe Spectroscopy of Nanoconfined Water Structure in Reverse Micelle Summary: Vibrational spectroscopy of solute molecules confined in the reverse micelle (RM) systems is an effective way to monitor the variation of their solvation environment and understand the nature of confined aqueous solution. Here we introduce two IR probe molecules that are N-methyl acetamide-d7(NMA-d7) and hydrazoic acid (HN3). Vibrational spec... RegDate 2015-10-01 Hit 3190
The FT-IR Study of Hofmeister Anion Effect on the Aqueous Solution Summary: The hydrazoic acid has been found to possess most of important characteristics of good IR probes for studying water structures. I would like to talk to Hofmeister anion any changes in the FT-IR probe of Hydrogen azide, unlike when the HOD solution. I saw about the degree of peak shift. The order of the Hofmeister ion series data for the shift... RegDate 2015-10-01 Hit 3536
β-Isocyanoalanine as an IR probe: comparison of vibrational dynamics between isonitrile and nitrile-derivatized IR probes Summary: A vibrational probe based on isonitrile (NC)-derivatized alanine 1 (Ac-Ala(NC)-NHMe) was synthesized and its structure and vibrational dynamics of its NC stretch mode were examined utilizing FTIR and femtosecond IR pump−probe spectroscopy. It has been found that the probe is characterized by very high sensivity to the hydrogen bonding envir... RegDate 2015-09-24 Hit 3720
Biomolecular Spectroscopy Laboratory RegDate 2015-09-24 Hit 3180
Computational Spectroscopy RegDate 2015-09-24 Hit 3004
Direct Quantum Mechanical/Molecular Mechanical Simulations of Two-Dimensional Vibrational Responses Summary: To theoretically describe 2D IR spectroscopy, which elucidates molecular structure and dynamics, we need to calculate the third order vibrational response function. The present research aims to calculate this response function in the classical limit by way of molecular dynamics (MD) simulation employing quantum mechanical/molecular mechanical... RegDate 2015-09-24 Hit 2995

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