APPLICATION OF THERMODYNAMICS TO BIOLOGICAL AND MATERIALS SCIENCE Edited by Tadashi Mizutani Application of Thermodynamics to Biological and Materials Science Edited by Tadashi Mizutani Published by InTech Janeza Trdine 9, 51000 Rijeka, Croatia Copyright © 2011 InTech All chapters are Open Access articles distributed under the Creative Commons Non Commercial Share Alike Attribution 3.0 license, which permits to copy, distribute, transmit, and adapt the work in any medium, so long as the original work is properly cited. After this work has been published by InTech, authors have the right to republish it, in whole or part, in any publication of which they are the author, and to make other personal use of the work. Any republication, referencing or personal use of the work must explicitly identify the original source. Statements and opinions expressed in the chapters are these of the individual contributors and not necessarily those of the editors or publisher. No responsibility is accepted for the accuracy of information contained in the published articles. The publisher assumes no responsibility for any damage or injury to persons or property arising out of the use of any materials, instructions, methods or ideas contained in the book. Publishing Process Manager Ana Nikolic Technical Editor Teodora Smiljanic Cover Designer Martina Sirotic Image Copyright Guido Vrola, 2010. Used under license from Shutterstock.com First published January, 2011 Printed in India A free online edition of this book is available at www.intechopen.com Additional hard copies can be obtained from [email protected] Application of Thermodynamics to Biological and Materials Science, Edited by Tadashi Mizutani p. cm. ISBN 978-953-307-980-6 free online editions of InTech Books and Journals can be found at www.intechopen.com Contents Preface IX Part 1 Application of Thermodynamics to Biology and Medicine 1 Chapter 1 Thermodynamics of Protein Structure Formation and Function 3 Dan W. Urry Chapter 2 Thermodynamics of Natural and Synthetic Inhibitor Binding to Human Hsp90 77 Vilma Petrikaitė and Daumantas Matulis Chapter 3 Enthalpy, Entropy, and Volume Changes of Electron Transfer Reactions in Photosynthetic Proteins 93 Harvey J.M. Hou Chapter 4 Thermodynamics of Supramolecular Structure Formation in Water 111 Tadashi Mizutani Chapter 5 Role and Applications of Electrostatic Effects on Nucleic Acid Conformational Transitions and Binding Processes 129 Jeff D. Ballin and Gerald M. Wilson Chapter 6 Tandem DNA Repeats: Generation and Propagation in the Microgene Polymerization Reaction and in vivo 175 Mark Itsko, Eitan Ben-Dov, Avinoam Rabinovitch and Arieh Zaritsky Chapter 7 The Second Law of Thermodynamics and Host-tumor Relationships: Concepts and Opportunities 203 Joseph Molnar, Zoltán G. Varga, Elysia Thornton-Benko and Barry S. Thornton VI Contents Chapter 8 Thermodynamics of the Heart 227 Uehara, Mituo and Sakane, Kumiko Koibuchi Chapter 9 The Protein Surface as a Thermodynamic Frontier: A Fractal Approache 243 Mariana Pereyra and Eduardo Méndez Chapter 10 Biomimetics - Thermodynamics to Study Wetting of Self-Cleaning Surfaces 259 Erwin Hüger, Jürgen Rost, Marion Frant, Gerhard Hildebrand, and Klaus Liefeith Chapter 11 Thermodynamics of Self-Assembly 289 L. Magnus Bergström Chapter 12 Thermodynamics and Mesomechanics of Nanostructural Transitions in Biological Membranes as Liquid Crystals 315 Lev Panin Chapter 13 Adsorption Profiles and Solvation of Ions at Liquid-Liquid Interfaces and Membranes 355 William Kung, Francisco J. Solis and Monica Olvera de la Cruz Part 2 Application of Thermodynamics to Chemistry, Solid State Physics and Materials Science 371 Chapter 14 Calorimetric: A Tecnique Useful in Characterization of Porous Solid 373 Juan Carlos Moreno and Liliana Giraldo Chapter 15 Dissociation Energies of O−H Bonds of Phenols and Hydroperoxides 405 Denisov Evgeny and Denisova Taisa Chapter 16 Determination of the Constants of Formation of Complexes of Iron(III) and Acetohydroxamic Acid 441 Fabrice PL Andrieux, Colin Boxall and Robin J Taylor Chapter 17 Obtaining Thermodynamic Properties and Fluid Phase Equilibria without Experimental Measurements 459 Lin, Shiang-Tai and Hsieh, Chieh-Ming Chapter 18 Complex Fluid Phase Equilibrium Modeling and Calculations 483 Gholamreza Vakili-Nezhaad Chapter 19 Thermodynamics of Viscodielectric Materials 513 R. Díaz-Calleja and E. Riande Contents VII Chapter 20 Volatile Precursors for Films Deposition: Vapor Pressure, Structure and Thermodynamics 521 Igor K. Igumenov, Tamara V. Basova and Vladimir R. Belosludov Chapter 21 Thermochemistry and Kinetics of the Reactions of Apatite Phosphates with Acid Solutions 547 Mohamed Jemal Chapter 22 The Sintering Behaviour of Fe-Mn-C Powder System, Correlation between Thermodynamics and Sintering Process, Manganese Distribution and Microstructure Composition, Effect of Alloying Mode 573 Eduard Hryha and Eva Dudrova Chapter 23 Molecular-dynamics Calculation of Nanostructures Thermodynamics. Research of Impurities Influence on Results 603 Igor Golovnev, Elena Golovneva and Vasily Fomin Preface Studies on effi ciency of thermal machines in the nineteenth century lead to the great discovery of entropy and the second law of thermodynamics. Classical and quantum statistical mechanics then emerged and thermodynamics played an important role in bridging between the properties of microscopic particles such as molecules and the properties of the macroscopic objects. Therefore, thermodynamics is a powerful tool for all scientists/engineers working in the fi eld of biological science, chemistry, and materials science. Thermodynamics is more powerful when it covers irreversible pro- cesses and non-equilibrium systems, because important biological functions and ma- terials functions arise from the non-equilibrium dynamic irreversible behaviour. The fi rst section of the book treats various applications of thermodynamics to biologi- cal studies. Recent progress in biology and molecular biology allowed us to visualise the structures of complex macromolecules. By using thermodynamic analysis, we can understand molecular mechanisms of a number of biological functions such as enzy- matic catalysis, signal transduction, and gene duplication. In particular, the behaviours of solvents and electrolytes and their important contributions to the equilibria and kinetics are diffi cult to clarify by use of structural analysis, while the thermodynamic analysis is a powerful tool for quantitative evaluation. Protein structure, ligand bind- ing to proteins, nucleic acid conformation/binding/reactions are described in detail. Cells and organs are also subjects of thermodynamic analysis, and cancer cell activity and the function of the heart are studied by use of thermodynamics. Structure and dynamics of interfaces, mesomechanics of biological membranes, and lyotropic liquid crystals of biological importance are discussed. The topics of the second section are related to materials science and technology. Gas absorption and fi lm formation on the solid surface are studied by a calorimetric equip- ment and thermodynamic analysis. Chemical equilibria and fl uid phase equilibria are discussed. In the fi elds of ceramics and metallurgy, equilibria and phases of ceramics and metal alloys are described. Extended irreversible thermodynamics was applied to analyse the non-equilibrium behaviour of viscodielectric materials. All these chapters demonstrate that thermodynamics is a useful tool to analyse biolog- ical functions, materials properties, and the process to fabricate materials. Similarities between biological functions and materials functions are obvious when viewed from X Preface the thermodynamic point. Readers can see how useful thermodynamics is in biological science, materials science and the interdisciplinary research. Tadashi Mizutani Doshisha University, Kyoto Japan