TY - JOUR
T1 - Quasiperiodic oscillation and possible Second Law violation in a nanosystem
AU - Quick, R.
AU - Singharoy, A.
AU - Ortoleva, P.
N1 - Funding Information:
This project was supported in part by the National Science Foundation (Collaborative Research in Chemistry program, award #0832651), National Institute of Health (NIBIB), METAcyt, Indiana University College of Arts and Sciences through the Center for Cell and Virus Theory, and the Indiana University office of the Vice President for Research (IU Collaborative Research Grant, ″All-atom Theory of Virus Behavior: Applications to Vaccine Discovery″). The authors appreciate computing time provided by Indiana University on the Big Red supercomputer.
PY - 2013/5/20
Y1 - 2013/5/20
N2 - Simulation of a virus-like particle reveals persistent oscillation about a free-energy minimizing structure. For an icosahedral structure of 12 human papillomavirus (HPV) L1 protein pentamers, the period is about 70 picoseconds and has amplitude of about 4 Å at 300 K and pH 7. The pentamers move radially and out-of-phase with their neighbors. As temperature increases the amplitude and period decrease. Since the dynamics are shown to be friction-dominated and free-energy driven, the oscillations are noninertial. These anomalous oscillations are an apparent violation of the Second Law mediated by fluctuations accompanying nanosystem behavior.
AB - Simulation of a virus-like particle reveals persistent oscillation about a free-energy minimizing structure. For an icosahedral structure of 12 human papillomavirus (HPV) L1 protein pentamers, the period is about 70 picoseconds and has amplitude of about 4 Å at 300 K and pH 7. The pentamers move radially and out-of-phase with their neighbors. As temperature increases the amplitude and period decrease. Since the dynamics are shown to be friction-dominated and free-energy driven, the oscillations are noninertial. These anomalous oscillations are an apparent violation of the Second Law mediated by fluctuations accompanying nanosystem behavior.
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U2 - 10.1016/j.cplett.2013.03.083
DO - 10.1016/j.cplett.2013.03.083
M3 - Article
AN - SCOPUS:84877801078
SN - 0009-2614
VL - 571
SP - 61
EP - 65
JO - Chemical Physics Letters
JF - Chemical Physics Letters
ER -