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Article: Evaluation of synthetic linear motor-molecule actuation energetics

TitleEvaluation of synthetic linear motor-molecule actuation energetics
Authors
KeywordsComputational modeling
Force spectroscopy
Molecular motors
Switchable rotaxanes
Issue Date2006
Citation
Proceedings of the National Academy of Sciences of the United States of America, 2006, v. 103, n. 23, p. 8583-8588 How to Cite?
AbstractBy applying atomic force microscope (AFM)-based force spectroscopy together with computational modeling in the form of molecular force-field simulations, we have determined quantitatively the actuation energetics of a synthetic motor-molecule. This multidisciplinary approach was performed on specifically designed, bistable, redox-controllable [2]rotaxanes to probe the steric and electrostatic interactions that dictate their mechanical switching at the single-molecule level. The fusion of experimental force spectroscopy and theoretical computational modeling has revealed that the repulsive electrostatic interaction, which is responsible for the molecular actuation, is as high as 65 kcal-mol-1, a result that is supported by ab initio calculations. © 2006 by The National Academy of Sciences of the USA.
Persistent Identifierhttp://hdl.handle.net/10722/332673
ISSN
2023 Impact Factor: 9.4
2023 SCImago Journal Rankings: 3.737
ISI Accession Number ID

 

DC FieldValueLanguage
dc.contributor.authorBrough, Branden-
dc.contributor.authorNorthrop, Brian H.-
dc.contributor.authorSchmidt, Jacob J.-
dc.contributor.authorTseng, Hsian Rong-
dc.contributor.authorHouk, Kendall N.-
dc.contributor.authorStoddart, J. Fraser-
dc.contributor.authorHo, Chih Ming-
dc.date.accessioned2023-10-06T05:13:24Z-
dc.date.available2023-10-06T05:13:24Z-
dc.date.issued2006-
dc.identifier.citationProceedings of the National Academy of Sciences of the United States of America, 2006, v. 103, n. 23, p. 8583-8588-
dc.identifier.issn0027-8424-
dc.identifier.urihttp://hdl.handle.net/10722/332673-
dc.description.abstractBy applying atomic force microscope (AFM)-based force spectroscopy together with computational modeling in the form of molecular force-field simulations, we have determined quantitatively the actuation energetics of a synthetic motor-molecule. This multidisciplinary approach was performed on specifically designed, bistable, redox-controllable [2]rotaxanes to probe the steric and electrostatic interactions that dictate their mechanical switching at the single-molecule level. The fusion of experimental force spectroscopy and theoretical computational modeling has revealed that the repulsive electrostatic interaction, which is responsible for the molecular actuation, is as high as 65 kcal-mol-1, a result that is supported by ab initio calculations. © 2006 by The National Academy of Sciences of the USA.-
dc.languageeng-
dc.relation.ispartofProceedings of the National Academy of Sciences of the United States of America-
dc.subjectComputational modeling-
dc.subjectForce spectroscopy-
dc.subjectMolecular motors-
dc.subjectSwitchable rotaxanes-
dc.titleEvaluation of synthetic linear motor-molecule actuation energetics-
dc.typeArticle-
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1073/pnas.0509645103-
dc.identifier.pmid16735470-
dc.identifier.scopuseid_2-s2.0-33745038450-
dc.identifier.volume103-
dc.identifier.issue23-
dc.identifier.spage8583-
dc.identifier.epage8588-
dc.identifier.isiWOS:000238278400003-

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