Article (Scientific journals)
Sample size dependence of tagged molecule dynamics in steady-state networks with bimolecular reactions: Cycle times of a light-driven pump
Asnicar, Daniele; Penocchio, Emanuele; Frezzato, Diego
2022In Journal of Chemical Physics, 156 (18), p. 184116
Peer reviewed
 

Files


Full Text
daniele.pdf
Publisher postprint (6.2 MB)
Download

All documents in ORBilu are protected by a user license.

Send to



Details



Abstract :
[en] Here, steady-state reaction networks are inspected from the viewpoint of individual tagged molecules jumping among their chemical states upon the occurrence of reactive events. Such an agent-based viewpoint is useful for selectively characterizing the behavior of functional molecules, especially in the presence of bimolecular processes. We present the tools for simulating the jump dynamics both in the macroscopic limit and in the small-volume sample where the numbers of reactive molecules are of the order of few units with an inherently stochastic kinetics. The focus is on how an ideal spatial “compartmentalization” may affect the dynamical features of the tagged molecule. Our general approach is applied to a synthetic light-driven supramolecular pump composed of ring-like and axle-like molecules that dynamically assemble and disassemble, originating an average ring-through-axle directed motion under constant irradiation. In such an example, the dynamical feature of interest is the completion time of direct/inverse cycles of tagged rings and axles. We find a surprisingly strong robustness of the average cycle times with respect to the system’s size. This is explained in the presence of rate-determining unimolecular processes, which may, therefore, play a crucial role in stabilizing the behavior of small chemical systems against strong fluctuations in the number of molecules.
Disciplines :
Physical, chemical, mathematical & earth Sciences: Multidisciplinary, general & others
Author, co-author :
Asnicar, Daniele
Penocchio, Emanuele ;  University of Luxembourg > Faculty of Science, Technology and Medicine (FSTM) > Department of Physics and Materials Science (DPHYMS)
Frezzato, Diego
External co-authors :
yes
Language :
English
Title :
Sample size dependence of tagged molecule dynamics in steady-state networks with bimolecular reactions: Cycle times of a light-driven pump
Publication date :
2022
Journal title :
Journal of Chemical Physics
ISSN :
0021-9606
Volume :
156
Issue :
18
Pages :
184116
Peer reviewed :
Peer reviewed
Focus Area :
Physics and Materials Science
European Projects :
H2020 - 681456 - NanoThermo - Energy Conversion and Information Processing at Small Scales
Funders :
European Research Council, Erasmus+ Traineeship
CE - Commission Européenne [BE]
Available on ORBilu :
since 05 July 2022

Statistics


Number of views
39 (4 by Unilu)
Number of downloads
63 (1 by Unilu)

Scopus citations®
 
3
Scopus citations®
without self-citations
0
OpenCitations
 
0
WoS citations
 
3

Bibliography


Similar publications



Contact ORBilu