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Conformational Properties of Macromolecules - 1st Edition - ISBN: 9780123555502, 9780323154598

Conformational Properties of Macromolecules

1st Edition

Author: A Hopfinger
eBook ISBN: 9780323154598
Imprint: Academic Press
Published Date: 28th December 1973
Page Count: 352
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Conformational Properties of Macromolecules provides information about the molecular parameters and spatial and thermodynamic properties of macromolecules and the application of theoretical conformational energy calculations.

The book covers topics such as macromolecular geometry, the classification of macromolecular structure, and the generation of macromolecular conformations and configurations; conformational energies and potential functions, induced dipole and polymer-solvent interactions; and conformational transition in molecules. Also covered are topics such as absorption and optical rotation spectroscopies, epitaxial crystallization of macromolecules, and conformational fluctuation in macromolecules.

The text is recommended for structural chemists, X-ray crystallographers, biophysicists, physical chemists, and macromolecular scientists who would like to know more about this particular area of knowledge.

Table of Contents


1 Macromolecular Geometry

I Introduction

II Classification of Macromolecular Structure

III Generation of Macromolecular Conformations and Configurations


2 Conformational Energies and Potential Functions

I Introduction

II The Hard Sphere Model

III Nonbonded Potential Functions

IV Electrostatic Energy

V Induced Dipole Interactions

VI Discussion of the Concept of a Dielectric on the Molecular Level

VII Polymer-Solvent Interactions

VIII Semiempirical Quantum Mechanical Calculations

IX Hydrogen Bond Potential Functions

X Bond Angle and Bond Length Distortion Potential Functions

XI Torsional Potential Functions

XII Conformational Entropy


3 Accuracy and Refinement of the Potential Functions

I Accuracy of the Classical Potential Energy Functions

II Refinement of Classical Potential Energy Functions


4 Conformational Transitions in Macromolecules

I Introduction

II The Cooperative Phenomenon in Macromolecules

III The a-Helix to Random Chain Transition

IV The Poly-L-Proline I-Poly-L-Proline II Transition

V The Collagen-Like Triple Helix-Random Chain Transition

VI Conformational Transition of Poly (Methacrylie Acid) in Aqueous Solution

VII The Polymorphic Phase Transition of Poly(Vinylidene Fluoride)

VIII Solvent-Dependent Conformational Transitions in Proteins


5 Applications of Conformational Potential Energy Calculations

I Absorption and Optical Rotation Spectroscopies

II Epitaxial Crystallization of Macromolecules

III NMR and Conformational Analysis

IV Conformational Fluctuations in Macromolecules

V Configurational Properties of Chain-Molecule Fluids


Appendix I Empirical Nonbonded Potential Functions between Ions and Atoms in Molecules


Appendix II Detailed Balancing Approach to Equilibrium Properties of Linear Chains

I Introduction

II Infinite Homogeneous Chains

III Finite Homogeneous Chains

IV Copolymer Chains

V Summary


Author Index

Subject Index


No. of pages:
© Academic Press 1973
28th December 1973
Academic Press
eBook ISBN:

About the Author

A Hopfinger

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