title: Nanoscale hydrophobic interaction and nanobubble nucleation.
abstract: We report large-scale atomistic simulation of midrange nanoscale hydrophobic interaction, manifested by the nucleation of nanobubble between nanometer-sized hydrophobes at constrained equilibrium. When the length scale of the hydrophobes is greater than 2 nm, the nanobubble formation shows hysteresis behavior resembling the first-order transition. Calculation of the potential of mean force versus interhydrophobe distance provides a quantitative measure of the strength of the nanoscale hydrophobic interaction.
authors.affiliation: Computational Sciences Division, Advanced Computing Center, RIKEN, Wako, Saitama 351-0198, Japan.
authors.forename: T
authors.initials: T
authors.lastname: Koishi
authors.forename: S
authors.initials: S
authors.lastname: Yoo
authors.forename: K
authors.initials: K
authors.lastname: Yasuoka
authors.forename: X C
authors.initials: XC
authors.lastname: Zeng
authors.forename: T
authors.initials: T
authors.lastname: Narumi
authors.forename: R
authors.initials: R
authors.lastname: Susukita
authors.forename: A
authors.initials: A
authors.lastname: Kawai
authors.forename: H
authors.initials: H
authors.lastname: Furusawa
authors.forename: A
authors.initials: A
authors.lastname: Suenaga
authors.forename: N
authors.initials: N
authors.lastname: Okimoto
authors.forename: N
authors.initials: N
authors.lastname: Futatsugi
authors.forename: T
authors.initials: T
authors.lastname: Ebisuzaki
mesh_terms: D003198:Computer Simulation; D057927:Hydrophobic and Hydrophilic Interactions; D036103:Nanotechnology / Q000379:methods*; D017510:Protein Folding; D011506:Proteins / Q000737:chemistry; D013816:Thermodynamics; D014867:Water / Q000737:chemistry
chemical_list: D011506:Proteins; D014867:Water