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

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자료유형  
 학위논문 서양
최종처리일시  
20260202103545
ISBN  
9798315797791
DDC  
541
저자명  
Gu, Geyao.
서명/저자  
Toward Predictive Control of Fuel-Driven Molecular Motors: Speed and Directional Bias
발행사항  
[Sl] : Northwestern University, 2025
발행사항  
Ann Arbor : ProQuest Dissertations & Theses, 2025
형태사항  
100 p
주기사항  
Source: Dissertations Abstracts International, Volume: 86-12, Section: B.
주기사항  
Advisor: Gingrich, Todd.
학위논문주기  
Thesis (Ph.D.)--Northwestern University, 2025.
초록/해제  
요약Molecular 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.
일반주제명  
Physical chemistry
일반주제명  
Energy
일반주제명  
Thermodynamics
일반주제명  
Mechanical engineering
키워드  
Catalysis-driven motors
키워드  
Mechanical coupling
키워드  
Mechanochemical coupling
키워드  
Molecular motors
키워드  
Nonequilibrium
기타저자  
Northwestern University Chemistry
기본자료저록  
Dissertations Abstracts International. 86-12B.
전자적 위치 및 접속  
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MARC

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■1001  ▼aGu,  Geyao.▼0(orcid)0000-0002-4266-4716
■24510▼aToward  Predictive  Control  of  Fuel-Driven  Molecular  Motors:  Speed  and  Directional  Bias
■260    ▼a[Sl]▼bNorthwestern  University▼c2025
■260  1▼aAnn  Arbor▼bProQuest  Dissertations  &  Theses▼c2025
■300    ▼a100  p
■500    ▼aSource:  Dissertations  Abstracts  International,  Volume:  86-12,  Section:  B.
■500    ▼aAdvisor:  Gingrich,  Todd.
■5021  ▼aThesis  (Ph.D.)--Northwestern  University,  2025.
■520    ▼aMolecular  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.
■590    ▼aSchool  code:  0163.
■650  4▼aPhysical  chemistry
■650  4▼aEnergy
■650  4▼aThermodynamics
■650  4▼aMechanical  engineering
■653    ▼aCatalysis-driven  motors
■653    ▼aMechanical  coupling
■653    ▼aMechanochemical  coupling
■653    ▼aMolecular  motors
■653    ▼aNonequilibrium
■690    ▼a0494
■690    ▼a0548
■690    ▼a0348
■690    ▼a0791
■71020▼aNorthwestern  University▼bChemistry.
■7730  ▼tDissertations  Abstracts  International▼g86-12B.
■790    ▼a0163
■791    ▼aPh.D.
■792    ▼a2025
■793    ▼aEnglish
■85640▼uhttp://www.riss.kr/pdu/ddodLink.do?id=T17357678▼nKERIS▼z이  자료의  원문은  한국교육학술정보원에서  제공합니다.

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