In a living body, a variety of molecules are working in a concerted manner to maintain its life, and to carry forward the genetic information from generation to generation. A key word to understand such processes is "water," which plays an essential role in life phenomena. This book sheds light on life phenomena, which are woven by biomolecules as warp and water as weft, by means of statistical mechanics of molecular liquids, the RISM and 3D-RISM theories, both in equilibrium and non-equilibrium. A considerable number of pages are devoted to basics of mathematics and physics, so that students who have not majored in physics may be able to study the book by themselves. The book will also be helpful to those scientists seeking better tools for the computer-aided-drug-discovery. Explains basics of the statistical mechanics of molecular liquids, or RISM and 3D-RISM theories, and its application to water. Provides outline of the generalized Langevin theory and the linear response theory, and its application to dynamics of water. Applies the theories to functions of biomolecular systems. Applies the theories to the computer aided drug design. Provides a perspective for future development of the method.

th th The 20 International Conference on Chemical Education (20 ICCE), which had rd th "Chemistry in the ICT Age" as the theme, was held from 3 to 8 August 2008 at Le Meridien Hotel, Pointe aux Piments, in Mauritius. With more than 200 participants from 40 countries, the conference featured 140 oral and 50 poster presentations. th Participants of the 20 ICCE were invited to submit full papers and the latter were subjected to peer review. The selected accepted papers are collected in this book of proceedings. This book of proceedings encloses 39 presentations covering topics ranging from fundamental to applied chemistry, such as Arts and Chemistry Education, Biochemistry and Biotechnology, Chemical Education for Development, Chemistry at Secondary Level, Chemistry at Tertiary Level, Chemistry Teacher Education, Chemistry and Society, Chemistry Olympiad, Context Oriented Chemistry, ICT and Chemistry Education, Green Chemistry, Micro Scale Chemistry, Modern Technologies in Chemistry Education, Network for Chemistry and Chemical Engineering Education, Public Understanding of Chemistry, Research in Chemistry Education and Science Education at Elementary Level. We would like to thank those who submitted the full papers and the reviewers for their timely help in assessing the papers for publication. th We would also like to pay a special tribute to all the sponsors of the 20 ICCE and, in particular, the Tertiary Education Commission (http: //tec.intnet.mu/) and the Organisation for the Prohibition of Chemical Weapons (http: //www.opcw.org/) for kindly agreeing to fund the publication of these proceedings."

Portable X-ray fluorescence (PXRF) instrumentation has some unique analytical capabilities for the in situ analysis of samples in the field. These capabilities have been extended in recent years by the continuing development of solid state detectors, surface mounted electronics, digital signal processing technology, Li-ion batteries combined with a choice of rugged sealed radioisotope sources or miniature X-ray tubes that provide lightweight hand-held devices. As well as opening up new applications, in situ measurements by PXRF, where the instrument is placed in direct contact with the object to be analysed, involve the complete integration of sampling and analysis. Careful interpretation of results is therefore required, particularly when the analysis is used to estimate the bulk composition of a sample. In this monograph, an overview is given of instrumentation, analytical capabilities, and limitations in the interpretation of results, sampling considerations and applications where PXRF offers substantial advantages over conventional analytical techniques. The aim is to give the reader an insight into the capabilities of the technique and to demonstrate the contribution it can make to a range of areas of contemporary scientific interest. Chapters are written by internationally recognised scientists with practical experience of in situ analysis using portable X-ray fluorescence and demonstrates the wide range of applications for the technique. The topics covered are illustrated with diagrams and photographs where appropriate and each chapter includes supporting references to enable the reader to gain a greater understanding of a particular application. Topics include: -analytical capabilities -instrumentation -quantification -correction procedures -sampling considerations -future developments Applications include: -the assessment of contaminated land -surfaces -coatings and paints -workplace monitoring -metal & alloy sorting -geochemical prospecting -archaeological investigations -museum samples & works of art -extraterrestrial analysis The work is aimed at scientists who have some knowledge of analytical techniques and/or the applications covered, but are not fully familiar with the capabilities of PXRF. It offers a general introduction to the technique and its applications rather than a research monograph. As such, it is aimed at analytical scientists, environmental and geological scientists, industrial hygienists, industrial and plant scientists, archaeometrists and museum researchers, research scientists and research students with projects in the applications covered. Undergraduate students studying associated degree courses will also benefit from the work.

The book illustrates the fascinating world of the different forms of water - from ice and snow to liquid water. The water molecule, H2O, is the second most common molecule in the Universe (behind hydrogen, H2) and ice is the most abundant solid material. Snow and ice appear in a countless large number of different shapes and with properties which can be quite different. Detailed knowledge of the properties of snow is of great importance for the Sami people involved in reindeer herding and several hundred names are used to characterize the different types.The properties of ice and liquid water are very special and unique in several respects. In contrast to most other substances, the density of ice is lower than that of liquid water, which has many very important consequences in our daily life. Water plays a unique role in chemistry and although tremendous research has been spent on this seemingly simple substance, there are still many unsolved questions about the structure of liquid water. The special properties of water are due to hydrogen bonding between the H2O molecules, and this book may be seen as a tribute to the hydrogen bond. The general properties of the hydrogen bond are treated in three separate papers. The hydrogen bond is of fundamental importance in biological systems since all living matter has evolved from and exists in an aqueous environment and hydrogen bonds are involved in most biological processes. There is a hundred times more water molecules in our bodies than the sum of all the other molecules put together.

This monograph offers a comprehensive overview of diverse quantization phenomena in layered materials, covering current mainstream experimental and theoretical research studies, and presenting essential properties of layered materials along with a wealth of figures. This book illustrates commonly used synthesis methods of these 2D materials and compares the calculated results and experimental measurements, including novel features not yet reported. The book also discusses experimental measurements of magnetic quantization, theoretical modeling for studying systems and covers diversified magneto-electronic properties, magneto-optical selection rules, unusual quantum Hall conductivities, and single- and many-particle magneto-Coulomb excitations. Rich and unique behaviors are clearly revealed in few-layer graphene systems with distinct stacking configuration, stacking-modulated structures, silicon-doped lattices, bilayer silicene/germanene systems with the bottom-top and bottom-bottom buckling structures, monolayer and bilayer phosphorene systems, and quantum topological insulators. The generalized tight-binding model, the static and dynamic Kubo formulas, and the random-phase approximation are developed/modified to thoroughly explore the fundamental properties and propose the concise physical pictures. Different high-resolution experimental measurements are discussed in detail, and they are consistent with the theoretical predictions. Aimed at readers working in materials science, physics, and engineering this book should be useful for potential applications in energy storage, electronic devices, and optoelectronic devices.

Since the turn of the 21st century, the field of electron molecule collisions has undergone a renaissance. The importance of such collisions in applications from radiation chemistry to astrochemistry has flowered, and their role in industrial processes such as plasma technology and lighting are vital to the advancement of next generation devices. Furthermore, the development of the scanning tunneling microscope highlights the role of such collisions in the condensed phase, in surface processing, and in the development of nanotechnology. Low-Energy Electron Scattering from Molecules, Biomolecules and Surfaces highlights recent progress in the theory and experiment of electron-molecule collisions, providing a detailed review of the current state of knowledge of electron molecule scattering-theoretical and experimental-for the general physicist and chemist interested in solving practical problems. In few other branches of science is the collaboration between theorists and experimentalists so topical. Covering advancements in practical problems, such as those met in plasma physics, microelectronics, nanolithography, DNA research, atmospheric chemistry, and astrochemistry, this book describes the formal general scattering theory and description of the experimental setup at a level the interested non-expert can appreciate.

Hot Topics in Crystal Engineering covers the design and synthesis of single crystalline solid-state materials, their properties and applications, focusing on the understanding and use of intermolecular interactions that constitute single crystalline materials. Many of the most modern materials, such as metal-organic frameworks (MOFs) capable of gas storage and separation, and selective entrapment of harmful substances, are the result of the rational use of crystal engineering. Topics covered in this work highlight breakthroughs in this rapidly developing field. This work offers a carefully chosen cross-section of the latest developments, some in their early infancy and some covered for the first time.

Written in a tutorial style by some of the key practitioners in the field, this book provides a comprehensive account of charged particle imaging and describes many of its recent applications. The technique has revolutionized experimental studies of photodissociation and bimolecular collisions over the past couple of decades. It is of primary interest to researchers and graduate students working in chemical and molecular physics requiring an overview of the subject as well as ideas for future experiments.

Spectroscopic Techniques and Hindered Molecular Motion presents a united, theoretical approach to studying classical local thermal motion of small molecules and molecular fragments in crystals by spectroscopic techniques. Mono- and polycrystalline case studies demonstrate performance validity. The book focuses on small molecules and molecular fragments, such as N2, HCl, CO2, CH4, H2O, NH4, BeF4, NH3, CH2, CH3, C6H6, SF6, and other symmetrical atomic formations, which exhibit local hindered motion in molecular condensed media: molecular and ionic crystals, molecular liquids, liquid crystals, polymeric solids, and biological objects. It reviews the state of studying the hindered molecular motion (HMM) phenomenon and the experimental works on the basis of the latest theoretical research. Case Studies Physical models of hindered molecular motion General solution of the stochastic problem for the hindered molecular motion in crystals Formulae of the angular autocorrelation function symmetrized on the crystallographic point symmetry groups Formulae of the spectral line shapes concerning the dielectric, infrared, Raman, nuclear magnetic relaxation, and neutron scattering spectroscopy in the presence of the hindered molecular motion Experimental probation of the theoretical outcomes Proton relaxation in three-atomic molecular fragments undergoing axial symmetry hindered motion Structural distortion in the ordered phase of crystalline ammonium chloride Organic compounds, polymers, pharmaceutical products, and biological systems consist of the molecular fragments, which possess rotational or conformational degrees of freedom or an atomic exchange within the fragme

Ultrasonic irradiation and the associated sonochemical and sonophysical effects are complementary techniques for driving more efficient chemical reactions and yields. Sonochemistry?the chemical effects and applications of ultrasonic waves?and sustainable (green) chemistry both aim to use less hazardous chemicals and solvents, reduce energy consumption, and increase product selectivity.

A comprehensive collection of knowledge, Handbook on Applications of Ultrasound covers the most relevant aspects linked to and linking green chemistry practices to environmental sustainability through the uses and applications of ultrasound-mediated and ultrasound-assisted biological, biochemical, chemical, and physical processes.

Chapters are presented in the areas of:

• Medical applications
• Drug and gene delivery
• Nanotechnology
• Food technology
• Synthetic applications and organic chemistry
• Anaerobic digestion
• Environmental contaminants degradation
• Polymer chemistry
• Industrial syntheses and processes
• Reactor design
• Electrochemical systems
• Combined ultrasound?microwave technologies

While the concepts of sonochemistry have been known for more than 80 years, in-depth understanding of this phenomenon continues to evolve. Through a review of the current status of chemical and physical science and engineering in developing more environmentally-friendly and less toxic synthetic processes, this book highlights many existing applications and enormous potential of ultrasound technology to upgrade present industrial, agricultural, and environmental processes.

The book illustrates the fascinating world of the different forms of water - from ice and snow to liquid water. The water molecule, H2O, is the second most common molecule in the Universe (behind hydrogen, H2) and ice is the most abundant solid material. Snow and ice appear in a countless large number of different shapes and with properties which can be quite different. Detailed knowledge of the properties of snow is of great importance for the Sami people involved in reindeer herding and several hundred names are used to characterize the different types.The properties of ice and liquid water are very special and unique in several respects. In contrast to most other substances, the density of ice is lower than that of liquid water, which has many very important consequences in our daily life. Water plays a unique role in chemistry and although tremendous research has been spent on this seemingly simple substance, there are still many unsolved questions about the structure of liquid water. The special properties of water are due to hydrogen bonding between the H2O molecules, and this book may be seen as a tribute to the hydrogen bond. The general properties of the hydrogen bond are treated in three separate papers. The hydrogen bond is of fundamental importance in biological systems since all living matter has evolved from and exists in an aqueous environment and hydrogen bonds are involved in most biological processes. There is a hundred times more water molecules in our bodies than the sum of all the other molecules put together.

Volume 2 of the 5-volume Quantum Nanochemistry presents fundamental and advanced concepts, principles, and models as well as their first and novel combinations and applications in quantum (physical) and chemical theory of atomic structure. It exposes the atom's perspective of quantum structures, spanning its diverse analytical predictions by historical and in-depth quantum analysis of the atomic periodicities of the atomic radii, ionization potential, electron affinity, electronegativity, and chemical hardness, along with the recently consecrated electrophilicity and chemical action.

Volume 3 of the 5-volume Quantum Nanochemistry presents the chemical reactivity throughout the molecular structure in general and chemical bonding in particular by introducing the bondons as the quantum bosonic particles of the chemical field, localization, from Huckel to Density Functional expositions, especially in relation to how chemical principles of electronegativity and chemical hardness decide the global chemical reactivity and interaction. The volume presents the fundamental and advanced concepts, principles, and models as well as their first and novel combinations and applications in quantum (physical) chemical theory of bonding, molecular reactivity, and aromaticity.

Volume 4 of the 5-volume Quantum Nanochemistry covers quantum (physical) chemical theory of solids and orderability and addresses the electronic order problems in the solid state viewed as a huge molecule in special quantum states, including also the bondonic treatment of the graphene nano-ribbons, along basic crystallographic principles, from geometrical-, to chemical- to physical- (x-ray) crystallography with featured examples, and energetic correlating symmetry discussion on orderability in nanochemical compounds.

Volume 5 of the 5-volume Quantum Nanochemistry focuses on modeling and predicting of the enzyme kinetics and quantitative structure-activity relationships. It reveals the quantum implications to bio-organic and bio-inorganic systems, to enzyme kinetics, and to pharmacophore binding sites of chemical-biological interaction of molecules through cell membranes in targeting specific bindings modeled by celebrated QSARs (Quantitative Structure-Activity Relationships) here reshaped as Qu-SAR (Quantum Structure-Activity Relationships).

Thermostable Proteins: Structural Stability and Design provides a comprehensive, updated account of the physical basis of enhanced stability of thermophilic proteins and the design of tailor-made thermostable proteins, paving the way for their possible industrial applications. This book is devoted to understanding the survival mechanisms of "thermophilic life forms" at the molecular level with an emphasis on design strategies.

The review chapters presented in Thermostable Proteins span a wide range of protein thermostability research. Basic structural, thermodynamic, and kinetic principles are explained and molecular strategies for the adaptation to high temperatures are delineated. In addition, this book covers:

• Computing and simulation methods in current and future thermostability research, especially in nonempirical situations
• How rigidity theory is used to improve the thermal adaptation of mesophiles
• Subtilisin-like serine proteases and their significant engineering applications
• The state of knowledge concerning structure function relations and the origins of their structural stability
• Computational and experimental approaches for the design of proteins with increased thermal stability based on sequences or three-dimensional structures

Understanding the molecular basis of how thermostable and hyperthermostable proteins gain and maintain their stability and biological function at high temperatures remains an important scientific challenge. A more detailed knowledge of protein stability not only deepens our understanding of protein structure but also helps in obtaining insights into processes that drive protein activities folding, unfolding, and misfolding essential to biological function.

The concept of adiabatic electronic potential-energy surfaces, defined by the Born-Oppenheimer approximation, is fundamental to our thinking about chemical processes. Recent computational as well as experimental studies have produced ample evidence that the so-called conical intersections of electronic energy surfaces, predicted by von Neumann and Wigner in 1929, are the rule rather than the exception in polyatomic molecules. It is nowadays increasingly recognized that conical intersections play a key mechanistic role in chemical reaction dynamics. This volume provides an up-to-date overview of the multi-faceted research on the role of conical intersections in photochemistry and photobiology, including basic theoretical concepts, novel computational strategies as well as innovative experiments. The contents and discussions will be of value to advanced students and researchers in photochemistry, molecular spectroscopy and related areas.

This new volume, Physical Chemistry for Engineering and Applied Sciences: Theoretical and Methodological Implications, introduces readers to some of the latest research applications of physical chemistry. The compilation of this volume was motived by the tremendous increase of useful research work in the field of physical chemistry and related subjects in recent years, and the need for communication between physical chemists, physicists, and biophysicists. This volume reflects the huge breadth and diversity in research and the applications in physical chemistry and physical chemistry techniques, providing case studies that are tailored to particular research interests. It examines the industrial processes for emerging materials, determines practical use under a wide range of conditions, and establishes what is needed to produce a new generation of materials. The chapter authors, affiliated with prestigious scientific institutions from around the world, share their research on new and innovative applications in physical chemistry. The chapters in the volume are divided into several areas, covering developments in physical chemistry of modern materials polymer science and engineering nanoscience and nanotechnology

This book covers many important aspects of applied chemistry and chemical engineering, focusing on three main aspects: principles, methodology and evaluation methods. It presents a selection of chapters on recent developments of theoretical, mathematical, and computational conceptions, as well as chapters on modeling and simulation of specific research themes covering applied chemistry and chemical engineering. This book attempts to bridge the gap between classical analysis and modern applications. Covering a selection of topics within the field of applied chemistry and chemical engineering, the book is divided into several parts: polymer chemistry and technology bioorganic and biological chemistry nanoscale technology selected topics This book is the second of the two-volume series Applied Chemistry and Chemical Engineering. The first volume is Volume 1: Mathematical and Analytical Techniques.

Understanding mathematical modeling is fundamental in chemical engineering. This book reviews, introduces, and develops the mathematical models that are most frequently encountered in sophisticated chemical engineering domains. The volume provides a collection of models illustrating the power and richness of the mathematical sciences in supplying insight into the operation of important real-world systems. It fills a gap within modeling texts, focusing on applications across a broad range of disciplines. The first part of the book discusses the general components of the modeling process and highlights the potential of modeling in the production of nanofibers. These chapters discuss the general components of the modeling process and the evolutionary nature of successful model building in the electrospinning process. Electrospinning is the most versatile technique for the preparation of continuous nanofibers obtained from numerous materials. This section of book summarizes the state-of-the art in electrospinning as well as updates on theoretical aspects and applications. Part 2 of the book presents a selection of special topics on issues in applied chemistry and chemical engineering, including nanocomposite coating processes by electrocodeposition method, entropic factors conformational interactions, and the application of artificial neural network and meta-heuristic algorithms. This volume covers a wide range of topics in mathematical modeling, computational science, and applied mathematics. It presents a wealth of new results in the development of modeling theories and methods, advancing diverse areas of applications and promoting interdisciplinary interactions between mathematicians, scientists, engineers and representatives from other disciplines.

Applied Chemistry and Chemical Engineering, Volume 4: Experimental Techniques and Methodical Developments provides a detailed yet easy-to-follow treatment of various techniques useful for characterizing the structure and properties of engineering materials. This timely volume provides an overview of new methods and presents experimental research in applied chemistry using modern approaches. Each chapter describes the principle of the respective method as well as the detailed procedures of experiments with examples of actual applications and then goes on to demonstrate the advantage and disadvantages of each physical technique. Thus, readers will be able to apply the concepts as described in the book to their own experiments. The book is broken into several subsections: Polymer Chemistry and Technology Computational Approaches Clinical Chemistry and Bioinformatics Special Topics This volume presents research and reviews and information on implementing and sustaining interdisciplinary studies in science, technology, engineering, and mathematics.

This volume, Applied Chemistry and Chemical Engineering, Volume 5: Research Methodologies in Modern Chemistry and Applied Science, is designed to fulfill the requirements of scientists and engineers who wish to be able to carry out experimental research in chemistry and applied science using modern methods. Each chapter describes the principle of the respective method, as well as the detailed procedures of experiments with examples of actual applications. Thus, readers will be able to apply the concepts as described in the book to their own experiments. This book traces the progress made in this field and its sub-fields and also highlight some of the key theories and their applications and will be a valuable resource for chemical engineers in Materials Science and others.

This new book focuses on nanomaterial development as well as investigations of combustion and explosion processes. It presents valuable information on the modeling of processes and on quantum chemical calculations and leading-edge research from around the world in this dynamic field, focusing on concepts above formal experimental techniques and theoretical methods of chemical physics for micro- and nanotechnologies. Also presented are non-linear kinetic appearances and their possible applications.

The magneto luminous chemical vapor deposition (MLCVD) method is the perfect example of the "front-end green process." It employs an entirely new process that expends the minimum amount of materials in gas phase, yields virtually no effluent, and therefore requires no environmental remediation. Unlike the "back-end green process," which calls for add-on processes to deal with effluent problems, the newer MLCVD approach is a completely different phenomenon that has never been adequately described, until now.

Dispelling previous misconceptions and revealing new areas for investigation, Magneto Luminous Chemical Vapor Deposition describes the key process of dielectric breakdown of gas molecules under the influence of a magnetic field. It emphasizes behavioral distinctions between molecular gasses that cause plasma polymerization (such as methane and trimethylsilane) and mono-atomic gases (e.g., helium and argon) when dealing with the dielectric breakdown of the gas phase under low pressure. The author also reveals his minimum perturbation theory of biocompatibility. This is based on the realization that nanofilms prepared using MLCVD have unique, stable interfacial characteristics necessary to achieve a surface that can be tolerated in various biological environments.

The author presents alternating views based on NASA's recent discovery that a magnetic field burst from the earth triggers the inception of the aurora borealis. Detailing similarities between this phenomenon and the inception of the magneto luminous gas phase described in this book, the author proposes that proof of the one occurrence could shed light on the other. Expanding on the author's previous works, this book introduces new discoveries, highlights the newfound errors of previous assumptions, and juxtaposes many cutting-edge alternative views and anomalies associated with the field.

This volume presents an up-to-date review of modern materials and concepts, issues, and recent advances in analytical and physical chemistry. Distinguished scientists and engineers from key institutions worldwide have contributed chapters that provide a deep analysis of their particular subjects. The chapters discuss the composition and properties of complex materials as well as mixtures, processes, and the need for new and improved analytical technology.