Conformational Properties of Macromolecules

Conformational Properties of Macromolecules

1st Edition - December 28, 1973

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  • Author: A Hopfinger
  • eBook ISBN: 9780323154598

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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


    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

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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