DOI: 10.1002/bip.1978.360170212. Statistical mechanical deconvolution of thermal transitions in macromolecules. I. Theory and application to homogeneous systems

Statistical mechanical deconvolution of thermal transitions in macromolecules. I. Theory and application to homogeneous systems

10.1002/bip.1978.360170212

Crossref journal-article

Wiley

Biopolymers (311)

Abstract

AbstractThe theoretical basis for the statistical mechanical deconvolution of a thermally induced macromolecular melting profile is presented. It is demonstrated that all the thermodynamic quantities characterizing a multistate macromolecular transition can be obtained from the average excess enthalpy function, 〈ΔH〉, of the system, without any assumption of the particular model or mechanism of the reaction.Experimentally, 〈ΔH〉 is obtained from scanning calorimetric data by direct integration of the excess apparent molar heat capacity function, ΦCp. Once 〈ΔH〉 is known as a continuous function of the temperature, the partition function, Q, of the system can be calculated by means of the equation From the partition function all the thermodynamic quantities of the system can be obtained. It is shown that the number of discrete macroscopic energy states, the enthalpy and entropy changes between them, and the relative population of each state as a function of temperature can be calculated in a recursive form.

Bibliography

Freire, E., & Biltonen, R. L. (1978). Statistical mechanical deconvolution of thermal transitions in macromolecules. I. Theory and application to homogeneous systems. Biopolymers, 17(2), 463â479. Portico.

Authors 2

Ernesto Freire (first)
Rodney L. Biltonen (additional)

References 9 Referenced 298

10.1002/bip.1966.360040808
10.1016/0022-2836(74)90188-0
{'key': 'e_1_2_1_4_2', 'volume-title': 'Theory of Helix‐Coil Transitions in Biopolymers', 'author': 'Poland D.', 'year': '1970'} / Theory of Helix‐Coil Transitions in Biopolymers by Poland D. (1970)
{'key': 'e_1_2_1_5_2', 'first-page': '403', 'volume-title': 'Conformation of Biopolymers', 'author': 'Applequist J.', 'year': '1967'} / Conformation of Biopolymers by Applequist J. (1967)
10.1016/S0065-3233(08)60401-5
{'key': 'e_1_2_1_7_2', 'first-page': '826', 'volume-title': 'Survey of Applicable Mathematics', 'author': 'Rektorys K.', 'year': '1969'} / Survey of Applicable Mathematics by Rektorys K. (1969)
10.1002/bip.1978.360170213
{'key': 'e_1_2_1_9_2', 'first-page': '167', 'volume-title': 'Numerical Methods for Scientists and Engineers', 'author': 'Hamming R.', 'year': '1962'} / Numerical Methods for Scientists and Engineers by Hamming R. (1962)
10.1021/bi00815a015

Dates

Type	When
Created	20 years, 7 months ago (Dec. 29, 2004, 9:08 p.m.)
Deposited	1 year, 10 months ago (Oct. 19, 2023, 12:25 p.m.)
Indexed	3 weeks, 3 days ago (Aug. 2, 2025, 12:25 a.m.)
Issued	47 years, 6 months ago (Feb. 1, 1978)
Published	47 years, 6 months ago (Feb. 1, 1978)
Published Online	21 years, 6 months ago (Feb. 1, 2004)
Published Print	47 years, 6 months ago (Feb. 1, 1978)

Funders 0

None

BibTeX

@article{Freire_1978, title={Statistical mechanical deconvolution of thermal transitions in macromolecules. I. Theory and application to homogeneous systems}, volume={17}, ISSN={1097-0282}, url={http://dx.doi.org/10.1002/bip.1978.360170212}, DOI={10.1002/bip.1978.360170212}, number={2}, journal={Biopolymers}, publisher={Wiley}, author={Freire, Ernesto and Biltonen, Rodney L.}, year={1978}, month=feb, pages={463–479} }

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