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Toward Predictive Control of Fuel-Dr...

Gu, Geyao,

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Toward Predictive Control of Fuel-Driven Molecular Motors: Speed and Directional Bias /

紀錄類型:	書目-電子資源 : Monograph/item
正題名/作者:	Toward Predictive Control of Fuel-Driven Molecular Motors: Speed and Directional Bias // Geyao Gu.
作者:	Gu, Geyao,
面頁冊數:	1 electronic resource (100 pages)
附註:	Source: Dissertations Abstracts International, Volume: 86-12, Section: B.
Contained By:	Dissertations Abstracts International86-12B.
標題:	Physical chemistry. -
電子資源:	https://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=32041250
ISBN:	9798315797791

Toward Predictive Control of Fuel-Driven Molecular Motors: Speed and Directional Bias /
Gu, Geyao,

Toward Predictive Control of Fuel-Driven Molecular Motors: Speed and Directional Bias /Geyao Gu. - 1 electronic resource (100 pages)

Source: Dissertations Abstracts International, Volume: 86-12, Section: B.

Molecular motors harness chemical energy by coupling to a fuel decomposition reaction and converting it into mechanical work. While biological motors demonstrate high velocity, efficient energy conversion, and near-perfect unidirectionality, the synthetic catalysis-driven motors remain slow and loosely coupled to the fuels. These limitations raise a fundamental question: How can we evaluate and improve the performance of synthetic motors? In my PhD, I explored this through four specific questions: (1) Can structural modification reverse the motor's direction? (2) Can "power stroke" intuition guide design? (3) How precise can fluctuating motors be? (4) Can coupling multiple motors enhance collective speed?These questions are addressed using a nonequilibrium molecular dynamics framework inspired by the first synthetic catalysis-driven catenane motor, enabling direct simulation under steady-state conditions with explicit fuel dynamics.This thesis provides theoretical insight and computational strategies for evaluating and improving synthetic molecular motors. The findings highlight the role of mechanochemical and mechanical coupling, structural designs and manipulation of interactions in guiding motor's performance. While synthetic systems are still in early stages, the principles outlined here provide a foundation for both advancing artificial motors and deepening our understanding of their biological counterparts.

English

ISBN: 9798315797791Subjects--Topical Terms:

1981412
Physical chemistry.
Subjects--Index Terms:

Catalysis-driven motors

Toward Predictive Control of Fuel-Driven Molecular Motors: Speed and Directional Bias /
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