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System Size Dependence in the Zimm–Bragg Model: Partition Function Limits, Transition Temperature and Interval

Within the recently developed Hamiltonian formulation of the Zimm and Bragg model we re-evaluate several size dependent approximations of model partition function. Our size analysis is based on the comparison of chain length N with the maximal correlation (persistence) length [Formula: see text] of...

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Autor principal: Badasyan, Artem
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8235631/
https://www.ncbi.nlm.nih.gov/pubmed/34204257
http://dx.doi.org/10.3390/polym13121985
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author Badasyan, Artem
author_facet Badasyan, Artem
author_sort Badasyan, Artem
collection PubMed
description Within the recently developed Hamiltonian formulation of the Zimm and Bragg model we re-evaluate several size dependent approximations of model partition function. Our size analysis is based on the comparison of chain length N with the maximal correlation (persistence) length [Formula: see text] of helical conformation. For the first time we re-derive the partition function of zipper model by taking the limits of the Zimm–Bragg eigenvalues. The critical consideration of applicability boundaries for the single-sequence (zipper) and the long chain approximations has shown a gap in description for the range of experimentally relevant chain lengths of 5–10 persistence lengths [Formula: see text]. Correction to the helicity degree expression is reported. For the exact partition function we have additionally found, that: at [Formula: see text] the transition temperature [Formula: see text] reaches its asymptotic behavior of infinite N; the transition interval [Formula: see text] needs about a thousand persistence lengths to saturate at its asymptotic, infinite length value. Obtained results not only contribute to the development of the Zimm–Bragg model, but are also relevant for a wide range of Biotechnologies, including the Biosensing applications.
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spelling pubmed-82356312021-06-27 System Size Dependence in the Zimm–Bragg Model: Partition Function Limits, Transition Temperature and Interval Badasyan, Artem Polymers (Basel) Article Within the recently developed Hamiltonian formulation of the Zimm and Bragg model we re-evaluate several size dependent approximations of model partition function. Our size analysis is based on the comparison of chain length N with the maximal correlation (persistence) length [Formula: see text] of helical conformation. For the first time we re-derive the partition function of zipper model by taking the limits of the Zimm–Bragg eigenvalues. The critical consideration of applicability boundaries for the single-sequence (zipper) and the long chain approximations has shown a gap in description for the range of experimentally relevant chain lengths of 5–10 persistence lengths [Formula: see text]. Correction to the helicity degree expression is reported. For the exact partition function we have additionally found, that: at [Formula: see text] the transition temperature [Formula: see text] reaches its asymptotic behavior of infinite N; the transition interval [Formula: see text] needs about a thousand persistence lengths to saturate at its asymptotic, infinite length value. Obtained results not only contribute to the development of the Zimm–Bragg model, but are also relevant for a wide range of Biotechnologies, including the Biosensing applications. MDPI 2021-06-17 /pmc/articles/PMC8235631/ /pubmed/34204257 http://dx.doi.org/10.3390/polym13121985 Text en © 2021 by the author. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Badasyan, Artem
System Size Dependence in the Zimm–Bragg Model: Partition Function Limits, Transition Temperature and Interval
title System Size Dependence in the Zimm–Bragg Model: Partition Function Limits, Transition Temperature and Interval
title_full System Size Dependence in the Zimm–Bragg Model: Partition Function Limits, Transition Temperature and Interval
title_fullStr System Size Dependence in the Zimm–Bragg Model: Partition Function Limits, Transition Temperature and Interval
title_full_unstemmed System Size Dependence in the Zimm–Bragg Model: Partition Function Limits, Transition Temperature and Interval
title_short System Size Dependence in the Zimm–Bragg Model: Partition Function Limits, Transition Temperature and Interval
title_sort system size dependence in the zimm–bragg model: partition function limits, transition temperature and interval
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8235631/
https://www.ncbi.nlm.nih.gov/pubmed/34204257
http://dx.doi.org/10.3390/polym13121985
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