Conformational Properties of Macromolecules
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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
Preface
1 Macromolecular Geometry
I Introduction
II Classification of Macromolecular Structure
III Generation of Macromolecular Conformations and Configurations
References
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
References
3 Accuracy and Refinement of the Potential Functions
I Accuracy of the Classical Potential Energy Functions
II Refinement of Classical Potential Energy Functions
References
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
References
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
References
Appendix I Empirical Nonbonded Potential Functions between Ions and Atoms in Molecules
References
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
References
Author Index
Subject Index
Product details
- No. of pages: 352
- Language: English
- Copyright: © Academic Press 1973
- Published: December 28, 1973
- Imprint: Academic Press
- eBook ISBN: 9780323154598
About the Author
A Hopfinger
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