Energy landscapes and function of supramolecular systems

By means of two supramolecular systems - peptide amphiphiles engaged in hydrogen-bonded β-sheets, and chromophore amphiphiles driven to assemble by π-orbital overlaps - we show that the minima in the energy landscapes of supramolecular systems are defined by electrostatic repulsion and the ability o...

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Main Authors:	Tantakitti, Faifan, Boekhoven, Job, Wang, Xin, Kazantsev, Roman, Yu, Tao, Li, Jiahe, Zhuang, Ellen, Zandi, Roya, Ortony, Julia H., Newcomb, Christina J., Palmer, Liam C., Shekhawat, Gajendra S., de la Cruz, Monica Olvera, Schatz, George C., Stupp, Samuel I.
Format:	Online
Language:	English
Published:	2016
Online Access:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4805452/

id	pubmed-4805452
recordtype	oai_dc
spelling	pubmed-48054522016-07-18 Energy landscapes and function of supramolecular systems Tantakitti, Faifan Boekhoven, Job Wang, Xin Kazantsev, Roman Yu, Tao Li, Jiahe Zhuang, Ellen Zandi, Roya Ortony, Julia H. Newcomb, Christina J. Palmer, Liam C. Shekhawat, Gajendra S. de la Cruz, Monica Olvera Schatz, George C. Stupp, Samuel I. Article By means of two supramolecular systems - peptide amphiphiles engaged in hydrogen-bonded β-sheets, and chromophore amphiphiles driven to assemble by π-orbital overlaps - we show that the minima in the energy landscapes of supramolecular systems are defined by electrostatic repulsion and the ability of the dominant attractive forces to trap molecules in thermodynamically unfavourable configurations. These competing interactions can be selectively switched on and off, with the order of doing so determining the position of the final product in the energy landscape. Within the same energy landscape, the peptide-amphiphile system forms a thermodynamically favoured product characterized by long bundled fibres that promote biological cell adhesion and survival, and a metastable product characterized by short monodisperse fibres that interfere with adhesion and can lead to cell death. Our findings suggest that, in supramolecular systems, function and energy landscape are linked, superseding the more traditional connection between molecular design and function. 2016-01-18 2016-04 /pmc/articles/PMC4805452/ /pubmed/26779883 http://dx.doi.org/10.1038/nmat4538 Text en Users may view, print, copy, and download text and data-mine the content in such documents, for the purposes of academic research, subject always to the full Conditions of use:http://www.nature.com/authors/editorial_policies/license.html#terms
repository_type	Open Access Journal
institution_category	Foreign Institution
institution	US National Center for Biotechnology Information
building	NCBI PubMed
collection	Online Access
language	English
format	Online
author	Tantakitti, Faifan Boekhoven, Job Wang, Xin Kazantsev, Roman Yu, Tao Li, Jiahe Zhuang, Ellen Zandi, Roya Ortony, Julia H. Newcomb, Christina J. Palmer, Liam C. Shekhawat, Gajendra S. de la Cruz, Monica Olvera Schatz, George C. Stupp, Samuel I.
spellingShingle	Tantakitti, Faifan Boekhoven, Job Wang, Xin Kazantsev, Roman Yu, Tao Li, Jiahe Zhuang, Ellen Zandi, Roya Ortony, Julia H. Newcomb, Christina J. Palmer, Liam C. Shekhawat, Gajendra S. de la Cruz, Monica Olvera Schatz, George C. Stupp, Samuel I. Energy landscapes and function of supramolecular systems
author_facet	Tantakitti, Faifan Boekhoven, Job Wang, Xin Kazantsev, Roman Yu, Tao Li, Jiahe Zhuang, Ellen Zandi, Roya Ortony, Julia H. Newcomb, Christina J. Palmer, Liam C. Shekhawat, Gajendra S. de la Cruz, Monica Olvera Schatz, George C. Stupp, Samuel I.
author_sort	Tantakitti, Faifan
title	Energy landscapes and function of supramolecular systems
title_short	Energy landscapes and function of supramolecular systems
title_full	Energy landscapes and function of supramolecular systems
title_fullStr	Energy landscapes and function of supramolecular systems
title_full_unstemmed	Energy landscapes and function of supramolecular systems
title_sort	energy landscapes and function of supramolecular systems
description	By means of two supramolecular systems - peptide amphiphiles engaged in hydrogen-bonded β-sheets, and chromophore amphiphiles driven to assemble by π-orbital overlaps - we show that the minima in the energy landscapes of supramolecular systems are defined by electrostatic repulsion and the ability of the dominant attractive forces to trap molecules in thermodynamically unfavourable configurations. These competing interactions can be selectively switched on and off, with the order of doing so determining the position of the final product in the energy landscape. Within the same energy landscape, the peptide-amphiphile system forms a thermodynamically favoured product characterized by long bundled fibres that promote biological cell adhesion and survival, and a metastable product characterized by short monodisperse fibres that interfere with adhesion and can lead to cell death. Our findings suggest that, in supramolecular systems, function and energy landscape are linked, superseding the more traditional connection between molecular design and function.
publishDate	2016
url	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4805452/
_version_	1613557050258751488

Energy landscapes and function of supramolecular systems

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