Over the last decade, increased attention to reaction dynamics, combined with the intensive application of computers in chemical studies, mathematical modeling of chemical processes, and mechanistic studies has brought graph theory to the forefront of research. It offers an advanced and powerful formalism for the description of chemical reactions and their intrinsic reaction mechanisms. Chemical Reaction Networks: A Graph-Theoretical Approach elegantly reviews and expands upon graph theory as applied to mechanistic theory, chemical kinetics, and catalysis. The authors explore various graph-theoretical approaches to canonical representation, numbering, and coding of elementary steps and chemical reaction mechanisms, the analysis of their topological structure, the complexity estimation, and classification of reaction mechanisms. They discuss topologically distinctive features of multiroute catalytic and noncatalytic and chain reactions involving metal complexes. With it's careful balance of clear language and mathematical rigor, the presentation of the authors' significant original work, and emphasis on practical applications and examples, Chemical Reaction Networks: A Graph Theoretical Approach is both an outstanding reference and valuable tool for chemical research.

This book is a mini-encyclopedia providing a wealth of information on all aspects of colloid and surface science, including historical background information, insights into the implications of definitions, biographical notes, and sketches of scientists who have contributed to the field.

With the rapid development of nanotechnology, the surface-to-volume ratio of objects of interest continues to increase. As such, so does the importance of our ability to tailor interfacial properties. Written by bestselling author and internationally renowned researcher K.S. Birdi, Introduction to Electrical Interfacial Phenomena offers comprehensive coverage of the field of electrical double layer (EDL) research. Birdi discusses theoretical models used with EDL and demonstrates how they can be applied to typically encountered real-world problems, including those that must be considered in modern industrial applications. The book explains the EDL through fundamental theory and real-world solved examples from applications such as corrosion, aerosols, dispersions and emulsions, adhesion, storage batteries, waste-water treatment, enhanced oil recovery, biology (proteins at cell membranes), and macromolecules. After introducing the electrical interfacial phenomenon, it describes advanced systems, provides a comprehensive description of the double layer, and presents bonus material on advanced theory separate from the main text. The book also includes application examples that demonstrate EDL analyses to new and developing areas such as enhanced oil recovery, storage batteries, hydrogen fuel cells, and biology. While there are many books available on this topic, so far none have taken a combined application and fundamental theoretical approach to the problem. Collating available information drawn from the extensive literature on various models of EDL into a comprehensive resource, this book paints a picture of the state of an art that is on the brink of further development. It not only delineates theoretical models, but also demonstrates how they can be applied to real problems.

"Presents the most comprehensive coverage available of the detection, isolation, identification, and estimation of all anionic surfactants in a wide variety of samples in trace and macro quantities. Features new chapters on volumetric and trace analysis, molecular and mass spectroscopy, and chromatographic processes."

Oxide-based materials and structures are becoming increasingly important in a wide range of practical fields including microelectronics, photonics, spintronics, power harvesting, and energy storage in addition to having environmental applications. This book provides readers with a review of the latest research and an overview of cutting-edge patents received in the field. It covers a wide range of materials, techniques, and approaches that will be of interest to both established and early-career scientists in nanoscience and nanotechnology, surface and material science, and bioscience and bioengineering in addition to graduate students in these areas. Features: Contains the latest research and developments in this exciting and emerging field Explores both the fundamentals and applications of the research Covers a wide range of materials, techniques, and approaches

This new edition features research from nearly 60 of the profession's most distinguished international authorities. Recognizing emerging developments in biopolymer systems research with fully updated and expanded chapters, the second edition discusses the biopolymer-based multilayer structures and their application in biosensors, the progress made in the understanding of protein behaviour at the air-water interface, experimental findings in ellipsometry and reflectometry, and recent developments concerning protein interfacial behaviour in microfabricated total analysis systems and microarrays. With over 3000 references, this is an essential reference for professionals and students in surface, pharmaceutical, colloid, polymer, and medicinal chemistry; chemical, formulation, and application engineering; and pharmacy.

Supramolecular aggregation-driven by weak non-covalent interactions, such as van der Waals, - interactions, hydrogen bonding, and electrostatic-has been utilized to build sensing platforms with improved selectivity and sensitivity. Supramolecular aggregates, owing to cooperative interactions, higher sensitivity and selectivity, relatively weak and dynamic non-covalent interactions, and environmental adaptation, have achieved better sensing performance than that of molecular sensory systems that rely on sensors with delicate structures. Aggregation of Luminophores in Supramolecular System: From Mechanisms to Applications describes recent advances in supramolecular chemistry, in which the luminophores are almost non-luminescent in the molecular state, but become highly emissive in the aggregate state. These advances bring new opportunities and challenges for the development of supramolecular chemistry. The intermolecular non-covalent interactions have been considered to be the main driving forces for fabricating supramolecular systems with aggregating luminophores and have an important influence on the luminescence properties of the probes. Based on these unique properties, luminescent supramolecular aggregates have greatly promoted the development of novel materials for applications as sensors, bio-imaging agents, organic electronic devices, and in the field of drug delivery. Features: Discussion of fundamental and interdisciplinary aspects of the aggregation in supramolecular systems. Narration of intermolecular interactions and the photophysical phenomenon of aggregation in supramolecular systems. Comparative discussion on recent developments in aggregation-induced quenching (AIQ) and aggregation-induced emission (AIE), and drawbacks of AIQ. Description of the technological applications of aggregation as biological sensors, chemical sensors, organic electronic materials, and in the field of drug delivery. A convenient format for checking formulas and definitions. This book surveys highlights of the progress made in the field of the aggregation of luminophores in supramolecular chemistry. It is hoped that the work will form a foundation (and indeed a motivation) for new workers in the area, as well as also being useful to experienced supramolecular chemists. It may also aid workers in the biological area to see Nature's aggregation in a new light. Further, the approach employed has been designed to provide readable background material for use with graduates, senior undergraduates, research professionals, and industries.

This book gives a representative survey of the state of the art of research on gas-surface interactions. It provides an overview of the current understanding of gas surface dynamics and, in particular, of the reactive and non-reactive processes of atoms and small molecules at surfaces. Leading scientists in the field, both from the theoretical and the experimental sides, write in this book about their most recent advances. Surface science grew as an interdisciplinary research area over the last decades, mostly because of new experimental technologies (ultra-high vacuum, for instance), as well as because of a novel paradigm, the 'surface science' approach. The book describes the second transformation which is now taking place pushed by the availability of powerful quantum-mechanical theoretical methods implemented numerically. In the book, experiment and theory progress hand in hand with an unprecedented degree of accuracy and control. The book presents how modern surface science targets the atomic-level understanding of physical and chemical processes at surfaces, with particular emphasis on dynamical aspects. This book is a reference in the field.

The series Structure and Bonding publishes critical reviews on topics of research concerned with chemical structure and bonding. The scope of the series spans the entire Periodic Table and addresses structure and bonding issues associated with all of the elements. It also focuses attention on new and developing areas of modern structural and theoretical chemistry such as nanostructures, molecular electronics, designed molecular solids, surfaces, metal clusters and supramolecular structures. Physical and spectroscopic techniques used to determine, examine and model structures fall within the purview of Structure and Bonding to the extent that the focus is on the scientific results obtained and not on specialist information concerning the techniques themselves. Issues associated with the development of bonding models and generalizations that illuminate the reactivity pathways and rates of chemical processes are also relevant. The individual volumes in the series are thematic. The goal of each volume is to give the reader, whether at a university or in industry, a comprehensive overview of an area where new insights are emerging that are of interest to a larger scientific audience. Thus each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years should be presented using selected examples to illustrate the principles discussed. A description of the physical basis of the experimental techniques that have been used to provide the primary data may also be appropriate, if it has not been covered in detail elsewhere. The coverage need not be exhaustive in data, but should rather be conceptual, concentrating on the new principles being developed that will allow the reader, who is not a specialist in the area covered, to understand the data presented. Discussion of possible future research directions in the area is welcomed. Review articles for the individual volumes are invited by the volume editors

First to review nanoscale self-assembly employing such a wide variety of methods

Covers a wide variety physical, chemical and biological systems, phenomena, and applications

First overviews of nanotube biotechnology and bimetallic nanoparticles

This lecture notesbook presents how enhanced structural information of biomolecular ionscan be obtainedfrom interaction with photons of specific frequency - laser light. The methods described in the book ""Laser photodissociation and spectroscopy of mass-separated biomolecular ions"" make use of the fact that the discrete energy and fast time scale of "photoexcitation "can provide more control in ion activation. This activation is the crucial process producing structure-informative product ions that cannot be generated with more conventional heating methods, such as collisional activation. The book describes how the powerful separation capabilities and sensitivity of mass spectrometry (MS) can be combined with the structural insights from spectroscopy by measuring vibrational and electronic spectra of trapped analytes. The implementation of laser-based "photodissociation "techniques in MS requires basic knowledge of tunable light sources and ion trapping devices.

This book introduces the reader to key concepts and approaches in molecular spectroscopy, and the light sources and ion traps employed in such experiments. The power of the methods is demonstrated by spectroscopic interrogation of a range of important biomolecular systems, including "peptides," "proteins," and "saccharides," with laser light in the ultraviolet-visible, and infrared range. The book ""Laser photodissociation and spectroscopy of mass-separated biomolecular ions"" isan indispensable resource for students and researchers engaged or interestedin this emerging field. It provides the solid background of key concepts and technologies for the measurements, discusses state-of-the-art experiments, and provides an outlook on future developments and applications."

Reviews all known antifoam mechanisms, and discusses the appropriate practical approaches for solving foam control problems in a variety of industrial contexts. These range from crude oil production to detergent formulation.

Kinetics and Thermodynamics of Fast Particles in Solids examines the kinetics and non-equilibrium statistical thermodynamics of fast charged particles moving in crystals in different modes. It follows a line of research very different from traditional ways of constructing a theory of radiation effects, which gives a purely mechanistic interpretation of particle motion. In contrast, this book takes into account the thermodynamic forces due to separation of the thermodynamic parameters of the subsystem of particles ("hot" atoms) on the parameters of the thermostat (electrons and lattice), in addition to covering the various mechanisms of collisions. Topics Include: Construction of a local kinetic equation of Boltzmann type for fast particles interacting with the conduction electrons and lattice vibrations, on the basis of the principles of Bogolyubov's kinetic theory Calculation of the equilibrium energy and angular distributions of fast particles at a depth of the order of coherence length, and the evolution of particle distribution with increasing depth of penetration of the beam Calculation of transverse quasi-temperature of channeled particles with the heating of the beam in the process of diffusion of particles in the space of transverse energies, as well as cooling the beam through a dissipative process Research in the framework of non-equilibrium thermodynamics of the relaxation kinetics of random particles, including the thermodynamics of positronium atoms moving in insulators under laser irradiation Analysis of the kinetics of hot carriers in semiconductors and thermalization of hot carriers, as well as the calculation of the statistical distribution of ejected atoms formed during the displacement cascade The book sets a new direction of the theory of radiation effects in solids-non-equilibrium statistical thermodynamics

The hydrogen bond represents an important interaction between molecules, and the dynamics of hydrogen bonds in water create an ever-present question associated with the process of chemical and biological reactions. In spite of numerous studies, the process remains poorly understood at the microscopic level because hydrogen-bond dynamics, such as bond rearrangements and hydrogen/proton transfer reactions, are extremely difficult to probe. Those studies have been carried out by means of spectroscopic methods where the signal stems from the ensemble of a system and the hydrogen-bond dynamics were inferred indirectly. This book addresses the direct imaging of hydrogen-bond dynamics within water-based model systems assembled on a metal surface, using a scanning tunneling microscope (STM). The dynamics of individual hydrogen bonds in water clusters, hydroxyl clusters, and water-hydroxyl complexes are investigated in conjunction with density functional theory. In these model systems, quantum dynamics of hydrogen bonds, such as tunneling and zero-point nuclear motion, are observed in real space. Most notably, hydrogen atom relay reactions, which are frequently invoked across many fields of chemistry, are visualized and controlled by STM. This work presents a means of studying hydrogen-bond dynamics at the single-molecule level, providing an important contribution to wide fields beyond surface chemistry.

For more than three decades the Electroanalytical Chemistry series has delivered the most in-depth and critical research related to issues in electrochemistry. Volume 22 continues this gold-standard with practical reviews of recent applications, as well as innovative contributions from internationally respected specialists-highlighting the emergence of new technologies and trends in the field. Previous volumes in the series were "highly recommended" by the Journal of the American Chemical Society and considered "essential" by the Journal of Solid State Electrochemistry, and this volume continues with a collection of state-of-the-art advances and studies of the highest caliber.

The development of nanostructured materials represents a new and fast evolving application of recent research in physics and chemistry. Novel experimental tools coupled with new theory have made this possible. Topics covered in this book include nanocrystals, semiconductor heterostructures, nanotubes, nanowires, and manipulation and fabrication techniques. The core of the book consists of ten lectures by five distinguished researchers, Paul Alivisatos, D.D. Awschalom, Sumio Iijima, Charles Lieber and Phaedon Avouris, presented at an Advanced Study Institute in Hong Kong in January 1999. It should interest materials physicists and chemists as well as materials scientists with an interest in the growth and characterisation of sophisticated materials.

The Ion Exchange and Solvent Extraction series treats ion exchange and solvent extraction both as discrete topics and as a unified, multidisciplinary study - presenting new insights for researchers in many chemical and related fields.;Volume 12 contains coverage of: the nature of metal-ion interaction with oppositely charged sites of ion exchangers; high-pressure ion exchange separation of rare earth elements; the commercial recovery of valuable minerals from seawater and brines by ion exchange and sorption; the kinetics of ion exchange in heterogenous systems; the ion-exchange equilibria of amino acids; and more.;The work is intended for analytical, co-ordination, process, separation, surface, organic, inorganic, physical and environmental chemists, geochemists, electrochemists, radiochemists, biochemists, biophysicists, hydrometallurgists, membrane researchers and chemical engineers.

The Ion Exchange and Solvent Extraction series treats ion exchange and solvent extraction both as discrete topics and as a unified, multidisciplinary study - presenting new insights for researchers in many chemical and related field. Containing current knowledge and results in ion exchange, this text: presents an overview of the chemical thermodynamics of cation-exchange reactions, with particular emphasis placed on liquid-phase- and solid-phase-activity coefficient models; describes the development of surface complexation theory and its application to the ion exchange phenomenon; discusses metal-natural colloid surface reactions and their consideration by surface complexation modelling complements; and covers the influence of humic substances on the uptake of metal ions by naturally occurring materials.

An In-Depth View of Hardware Issues, Programming Practices, and Implementation of Key Methods Exploring the challenges of parallel programming from the perspective of quantum chemists, Parallel Computing in Quantum Chemistry thoroughly covers topics relevant to designing and implementing parallel quantum chemistry programs. Focusing on good parallel program design and performance analysis, the first part of the book deals with parallel computer architectures and parallel computing concepts and terminology. The authors discuss trends in hardware, methods, and algorithms; parallel computer architectures and the overall system view of a parallel computer; message-passing; parallelization via multi-threading; measures for predicting and assessing the performance of parallel algorithms; and fundamental issues of designing and implementing parallel programs. The second part contains detailed discussions and performance analyses of parallel algorithms for a number of important and widely used quantum chemistry procedures and methods. The book presents schemes for the parallel computation of two-electron integrals, details the Hartree-Fock procedure, considers the parallel computation of second-order Moller-Plesset energies, and examines the difficulties of parallelizing local correlation methods. Through a solid assessment of parallel computing hardware issues, parallel programming practices, and implementation of key methods, this invaluable book enables readers to develop efficient quantum chemistry software capable of utilizing large-scale parallel computers.

Kinetics, Transport, and Structure in Hard and Soft Materials is the only single reference that discusses the connection between structure and mechanisms of atomic or molecular transport in different classes of materials, from metals and semiconductors to network glasses, polymers and supercooled liquids. Divided into four parts, Part I begins with a discussion the fundamentals of transport, wherein transport properties of a system of non-interacting particles are calculated and the phenomenon of Brownian motion introduced. The phenomenology of diffusion is also discussed wherein Fick's laws are introduced and solved for a range of practical cases involving mass transport. Elementary Statistical mechanics, involving Partition functions, probability distribution functions and correlation functions, is discussed to lay the foundation for the subsequent discussion of mechanisms of transport in different materials. Parts II and III focus on mechanisms of transport in crystalline materials and in structurally disordered materials. Chapters explain how the mechanism of diffusional transport of an atom or molecule is intimately connected to the spatial organization of neighboring structural elements and to its interactions with them. The book reviews factors that control temperature dependent long-range dynamics of glass-forming systems. Diffusion and viscoelasticity of polymer melts, transport (viscous flow and ionic diffusion) in inorganic network glasses, and dynamic heterogeneity in super cooled liquids are described. Part IV analyzes the development of instabilities, such as spinodal decomposition and Mullins-Sekerka instabilities, which lead to the morphological evolution of materials. Kinetics, Transport, and Structure in Hard and Soft Materials emphasizes interdisciplinary nature of transport in materials, presenting its material in a user-friendly format for students from any discipline with a foundation in elementary

Despite the large quantity of phenomenological information concerning the bulk properties of nematic phase liquid crystals, little is understood about the origin of the surface energy, particularly the surface, interfacial, and anchoring properties of liquid crystals that affect the performance of liquid crystal devices. Self-contained and unique, Adsorption Phenomena and Anchoring Energy in Nematic Liquid Crystals provides an account of new and established results spanning three decades of research into the problems of anchoring energy and adsorption phenomena in liquid crystals. The book contains a detailed discussion of the origin and possible sources of anchoring energy in nematic liquid crystals, emphasizing the dielectric contribution to the anchoring energy in particular. Beginning with fundamental surface and anchoring properties of liquid crystals and the definition of the nematic phase, the authors explain how selective ion adsorption, dielectric energy density, thickness dependence, and bias voltage dependence influence the uniform alignment of liquid crystals and affect the performance of liquid crystal devices. They also discuss fundamental equations regulating the adsorption phenomenon and the dynamic aspects of ion adsorption phenomenon in liquid crystalline systems. Adsorption Phenomena and Anchoring Energy in Nematic Liquid Crystals serves as an excellent source of reference for graduates and researchers working in liquid crystals, complex fluids, condensed matter physics, statistical physics, chemical engineering, and electronic engineering, as well as providing a useful general introduction to and background information on the nematic liquid crystal phase.

Increase in antibiotic resistance has forced researchers to develop new drugs against microorganisms. Lipopeptides are produced as secondary metabolites by some microorganisms. Computer-aided Design of Antimicrobial Lipopeptides as Prospective Drug Candidates provides the identification of novel ligands for different antimicrobial lipopeptides. Along with identification, it also provides some of the in silico drug design processes, namely homology modelling, molecular docking, QSAR studies, drug ADMET studies and pharmacophore studies to check the ligand-lipopeptide interaction. Some lipopeptides have shown anti-cancerous properties too, and this book discusses the required templates to design new drugs using computational techniques. Key Features: Focuses on the use lipopeptides as new antimicrobial compounds Presents the basics of in silico modelling for design and development of new drug molecules, and is therefore of interest to beginners in the field Provides a step-by-step process for identification of drug molecules and testing its efficacy in silico Couples with courses on patents and intellectual property rights

Quantum electrodynamics (QED) is the branch of relativistic quantum field theory that deals specifically with the interactions between charged particles. It is widely used to solve problems in many areas of physics, such as elementary particles, atomic and molecular systems, and solid state physics. This accessible text, Basics of Quantum Electrodynamics, supplies a solid foundation in this dynamic area of physics, making a direct connection to the concepts of quantum mechanics familiar to the advanced undergraduate student. Chapters cover the general theory of free fields and the quantization of the scalar, electromagnetic, and spinorial fields, which prepares readers for understanding field interactions. The authors describe the general theory of field interactions, introducing the scattering matrix and the Feynman-Dyson graphs. They then discuss divergence-free second-order processes, such as Compton and Moller scattering, followed by divergent second-order processes, which cover vacuum polarization and mass and charge renormalization. Providing a modern, informative textbook, this volume illustrates the intimate connection between quantum mechanics and QED in two basic steps: the quantization of free fields, followed by the theory of their interactions. The text contains solved problems to facilitate the application of the theory, as well as a useful appendix on the theory of distributions. The step-by-step description of the quantization of various fields and the clear presentation of the most important interaction processes in QED make this textbook a useful guide for those studying physics at both the graduate and undergraduate level, as well as a reference for teachers and researchers in the field.

This book provides a cross section of the theoretical and practical results achieved in gas-solid and liquid-solid adsorption. It contains monographs at a scientific level and some chapters include parts that can be used by Ph.D.-level students or by researchers working in industry.

A comprehensive treatment of a large family of polymers useful in a wide range of applications in such fields as automotive, pharmaceutical, cosmetic, metal-working, mining, industrial coating, textile, construction, and home furnishings. Summarizes the chemistry and mechanisms; provides basic prepa