Nanoscale hydrophobic interaction and nanobubble nucleation.
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.
Koishi
T
T
Computational Sciences Division, Advanced Computing Center, RIKEN, Wako, Saitama 351-0198, Japan.
Yoo
S
S
Yasuoka
K
K
Zeng
X C
XC
Narumi
T
T
Susukita
R
R
Kawai
A
A
Furusawa
H
H
Suenaga
A
A
Okimoto
N
N
Futatsugi
N
N
Ebisuzaki
T
T
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
D011506:Proteins; D014867:Water