Chemical Theory and Multiscale Simulation in Biomolecules: From Principles to Case Studies helps readers understand what simulation is, what information modeling of biomolecules can provide, and how to compare this information with experiments. Beginning with an introduction to computational theory for modeling, the book goes on to describe how to control the conditions of modeling systems and possible strategies for time-cost savings in computation. Part Two further outlines key methods, with step-by-step guidance supporting readers in studying and practicing simulation processes. Part Three then shows how these theories are controlled and applied in practice, through examples and case studies on varied applications. This book is a practical guide for new learners, supporting them in learning and applying molecular modeling in practice, whilst also providing more experienced readers with the knowledge needed to gain a deep understanding of the theoretical background behind key methods.
The Kirkwood-Buff Theory of Solutions: With Selected Applications to Solvation and Proteins presents the Kirkwood-Buff (KB) Theory of solution in a simple and didactic manner, making it understandable to those with minimal background in thermodynamics. Aside from the fact that the KB Theory may be the most important and useful theory of solutions, it is also the most general theory that can be applied to all possible solutions, including aqueous solutions of proteins and nucleic acids. Introductory chapters give readers grounding in the necessary chemical thermodynamics and statistical mechanics, but then move to a systematic derivation of Kirkwood-Buff theory and its inversion. Originally published in 1951, the KB theory was dormant for over 20 years. It became extremely useful after the publication of the "Inversion of the KB theory" by the author Arieh Ben-Naim in 1978. The book explains all necessary concepts in statistical mechanics featured in the theory in a simple and intuitive way. Researchers will find the theory useful in solving any problem in mixtures or solutions in any phase. Some examples of applications of the KB theory, to water, aqueous solutions, protein folding, and self-association of proteins, are provided in the book.
Advanced Spectroscopic Methods to Study Biomolecular Structure and Dynamics presents the latest emerging technologies in spectroscopy and advances in established spectroscopic methods. The book presents a guide to research methods in biomolecular spectroscopy, providing comprehensive coverage of developments in the spectroscopic techniques used to study protein structure and dynamics. Seventeen chapters from leading researchers cover key aspects of spectroscopic methods, with each chapter covering structure, folding, and dynamics. This title will help researchers keep up-to-date on the latest novel methods and advances in established methods.
Cosmetic Science and Technology: Theoretical Principles and Applications covers the fundamental aspects of cosmetic science that are necessary to understand material development, formulation, and the dermatological effects that result from the use of these products. The book fulfills this role by offering a comprehensive view of cosmetic science and technology, including environmental and dermatological concerns. As the cosmetics field quickly applies cutting-edge research to high value commercial products that have a large impact in our lives and on the world's economy, this book is an indispensable source of information that is ideal for experienced researchers and scientists, as well as non-scientists who want to learn more about this topic on an introductory level.
This book derives from a workshop held in Sweden to examine the environmental implications of the dramatic increase in carbon dioxide levels in the atmosphere in the last 50 years and to find ways of mitigating greenhouse gas emissions. This multi-disciplinary approach makes it essential reading not only for chemists but for all engineers, biologists and environmentalists concerned with this crucially important issue.
Global concern for energy security and environmental protection has put great emphasis on the search for alternative energy sources, particularly for the transport sector. Biofuels have emerged as a highly promising source of alternative energy, and have drawn global R&D for their production using biomass. With the increasing worldwide demand of energy along with the depletion of conventional fossil fuel reserves, there has been growing global interest in developing alternative sources of energy. There has also been concern in growing economies regarding energy security. Biofuels offer much promise on these frontiers. In addition to the above, they also have a reduced environmental impact in comparison to fossil fuels. Biofuels provides state-of-the-art information on the status of biofuel production and related aspects.
Water in the proximity of a surface (interfacial water) is abundant on the earth. It is involved in various physical and chemical processes and crucial for biological function. Despite numerous studies of interfacial water, systematic analysis of its properties is missing in scientific literature. This book is a first comprehensive review of experimental and simulation studies of water in various confining environments, such as hydrophilic and hydrophobic surfaces, surfaces of biomolecules, porous media, etc. Systematic analysis of interfacial and confined water is based on the firm physical ground, which accounts for variety of the thermodynamic states of water near the surface, surface phase transitions, surface critical behaviour, effect of confinement on the bulk and surface phase transitions of water, clustering and formation of a spanning hydrogen-bonded water network via percolation transition. This allows distinguishing between universal features, common for all fluids, and some specific water properties, related to intermolecular hydrogen bonds. Special attention is paid to the properties of hydration water, which covers biomolecules and enables their biological activity. This book provides readers with basic information on interfacial and confined water, which will be useful for scientists and engineers working in the fields of bioscienses, nanociences and nanotechnologies.
This third volume in the series represents the Proceedings of the 3rd International Nanophotonics Symposium, July 6-8, 2006, Icho-Kaikan, Osaka University, Osaka, Japan. Over a two-day symposium, distinguished scientists from around the world convened to discuss the latest progress in this field and the conclusions have been summarised in Nano Biophotonics: Science and Technology. The contents of this book have been compiled by invited lecturers, research members of the relevant projects/program, and some of general participants. The book has 27 chapters which are classified into 4 parts; nano bio-spectroscopy, nano bio-dynamics, nano bio-processing, and nano bio-devices.
Cyclodextrin Materials Photochemistry, Photophysics and Photobiology provides to the scientific community the state-of-the art on photochemistry, photophysics and photobiology of cyclodextrin complexes in one book, and the chapters material will trigger further research in applied science connected to these small nanocapsules.The chapters contain a large number of information of value not only to readers working in the field of cyclodextrins, but also to researchers working on related areas like those of supramolecular chemistry, nanochemistry, and in general in nano- and biotechnology.
Modern Methods for Theoretical Physical Chemistry of Biopolymers provides an interesting selection of contributions from an international team of researchers in theoretical chemistry. This book is extremely useful for tackling the complicated scientific problems connected with biopolymers' physics and chemistry. The applications of both the classical molecular-mechanical and molecular-dynamical methods and the quantum chemical methods needed for bridging the gap to structural and dynamical properties dependent on electron dynamics are explained. Also included are ways to deal with complex problems when all three approaches need to be considered at the same time. The book gives a rich spectrum of applications: from theoretical considerations of how ATP is produced and used as ‘energy currency’ in the living cell, to the effects of subtle solvent influence on properties of biopolymers and how structural changes in DNA during single-molecule manipulation may be interpreted.