Takashi Iwahashi

Learn More
This paper describes Genetic Algorithm (GA) for minimizing the energy of protein tertiary structure. In the conventional study, Simulated Annealing (SA) is used to be applied for this problem. In the previous studies, it is also reported that it is difficult to find the optimum solutions by GAs. Dual individual Distributed Genetic Algorithm (Dual DGA) is(More)
The air/liquid interface of 1-alkyl-3-methylimidazolium tetrafluoroborates with the general formula [C(n)mim]BF(4) (n = 4-11) was studied using infrared-visible sum frequency generation (SFG) vibrational spectroscopy. The probability of the gauche defect per CH2-CH2 bond in the alkyl chain decreases as the number of carbon atoms in the alkyl chain(More)
The air/liquid interface of a room temperature ionic liquid, 1-butyl-3-methylimidazolium trifluoromethanesulfonate ([bmim]OTf), is investigated using infrared-visible sum frequency generation (SFG) spectroscopy. The SFG spectra clearly show low-frequency modes [CF3-symmetric stretching (ss) mode and SO3-symmetric stretching (ss) mode] of the OTf anion,(More)
IR-visible sum-frequency generation (IV-SFG) vibrational spectroscopy and a molecular dynamics (MD) simulation were used to study the local layering order at the interface of 1-butanol-d9 and 1-butyl-3-methylimidazolium hexafluorophosphate ([bmim]PF6), a room-temperature ionic liquid (RTIL). The presence of a local non-polar layer at the interface of the(More)
This paper describes Genetic Algorithm (GA) for finding the protein tertiary structure that has the minimum energy. In the conventional study, Simulated Annealing (SA) is used to be applied for this problem. In the previous studies, it is also reported that it is difficult to find the optimum solutions by GAs. Dual individual Distributed Genetic Algorithm(More)
We demonstrate for the first time the formation of a non-polar alkyl-chain dividing layer between a room-temperature ionic liquid (RTIL) and an n-alcohol. This newly described non-polar interfacial layer, which should be more hydrophobic than both RTIL and alcohol phases, might find applications in liquid/liquid reaction systems, or serve as a soft(More)
The interfaces of water/room temperature ionic liquids (RTIL) (1-alkyl-3-methyl imidazolium bis(trifluoromethylsulfonyl)amide ([C(n)mim]TFSA): n = 4, 8) are investigated by infrared-visible sum frequency generation (IV-SFG) vibrational spectroscopy and molecular dynamics (MD) simulation. SFG spectra taken within the SO stretch region drastically differ(More)
  • 1