Recent Methodology in Chemical Sciences provides an eclectic survey of contemporary problems in experimental, theoretical, and applied chemistry. This book covers recent trends in research with the different domain of the chemical sciences. The chapters, written by knowledgeable researchers, provide different insights to the modern-day research in the domain of spectroscopy, plasma modification, and theoretical and computational analysis of chemical problems. It covers descriptions of experimental techniques, discussions on theoretical modeling, and much more.

By providing an applied and modern approach, this volume will help readers understand the value and relevance of studying case studies and reviews on chemical and biochemical sciences. Presenting a wide-ranging view of current developments in applied methodologies in chemical and biochemical physics research, the papers in this collection, all written by highly regarded experts in the field, examine various aspects of chemical and biochemical physics and experimentation. In the first section of this volume, many topics are covered, such as trends in polymeric gas separation membranes, trends in polymer/organoclay nanocomposites, synthesis of the hybrid metal-polymer nanocomposite, oxidation of polypropylene-graphite nanocomposites, and investigation on the cleaning process of gas emissions. In section two, several case studies and reviews in biochemical sciences are reported.

This new volume presents leading-edge research in the rapidly changing and evolving field of chemical materials characterization and modification. The topics in the book reflect the diversity of research advances in physical chemistry and electrochemistry, focusing on the preparation, characterization, and applications of polymers and high-density materials. Also covered are various manufacturing techniques. Focusing on the most technologically important materials being utilized and developed by scientists and engineers, the book will help to fill the gap between theory and practice in industry. This comprehensive anthology covers many of the major themes of physical chemistry and electrochemistry, addressing many of the major issues, from concept to technology to implementation. It is an important reference publication that provides new research and updates on a variety of physical chemistry and electrochemistry uses through case studies and supporting technologies, and it also explains the conceptual thinking behind current uses and potential uses not yet implemented. International experts with countless years of experience lend this volume credibility.

Pathways to Modern Physical Chemistry: An Engineering Approach with Multidisciplinary Applications focuses on recent trends and takes a systematic and practical look at theoretical aspects of materials chemistry. The book describes the characterization and analysis methods for materials and explains physical transport mechanisms in various materials. Not only does this book summarize the classical theories of materials chemistry, but it also exhibits their engineering applications in response to the current key issues. Recent trends in several areas are explored, including polymer science, textile engineering, and chemical engineering science, which have important application to practice.

This book looks at the synthesis of polyaniline by different methods, under different conditions, for various applications, and presents studies of its properties by a wide range of the modern physic-chemical methods. The book provides a comprehensive analysis of experimental results from the point of view of the correlations in the triad synthesis conditions-structurephysico-chemical properties. It combines the results of experimental investigations and original methodology of the description of physical-chemical and electrochemical phenomena at interface surfaces, showing an influence of such phenomena on the applied aspects of the polyaniline and nanocomposites on its basis applications.

Computational Chemistry Methodology in Structural Biology and Materials Sciences provides a selection of new research in theoretical and experimental chemistry, focusing on topics in the materials science and biological activity. Part 1, on Computational Chemistry Methodology in Biological Activity, of the book emphasizes presents new developments in the domain of theoretical and computational chemistry and its applications to bioactive molecules. It looks at various aspects of density functional theory and other issues. Part 2, on Computational Chemistry Methodology in Materials Science, presents informative new research on computational chemistry as applied to materials science. The wide range of topics regarding the application of theoretical and experimental chemistry and materials science and biological domain will be valuable in the context of addressing contemporary research problems.

Computational Multiscale Modeling of Multiphase Nanosystems: Theory and Applications presents a systematic description of the theory of multiscale modeling of nanotechnology applications in various fields of science and technology. The problems of computing nanoscale systems at different structural scales are defined, and algorithms are given for their numerical solutions by the quantum/continuum mechanics, molecular dynamics, and mesodynamics methods. Emphasis is given to the processes of the formation, movement, and interaction of nanoparticles; the formation of nanocomposites; and the processes accompanying the application of nanocomposites. The book concentrates on different types of nanosystems: solid, liquid, gaseous, and multi-phase, consisting of various elements interacting with each other, and with other elements of the nanosystem and with the environment. The book includes a large number of examples of numerical modeling of nanosystems. The valuable information presented here will be useful to engineers, researchers, and postgraduate students engaged in the design and research in the field of nanotechnology.

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

The second edition of "Nanochemistry" covers the main studies of nanoparticle production, reactions, and compounds, and reviews the work of leading scientists from around the world. This book is the first monograph on nanochemistry, giving perspectives on the present status and future possibilities in this rapidly advancing discipline. It provides the solid fundamentals and theory of nanoscience, and progress through topics including synthesis and stabilization of nanoparticles, cryochemistry of metal atoms and nanoparticles, chemical nanoreactors, and more.

Nanoparticles are capable of transformations that have already led to revolutionary applications, including reagents for self-cleaning glass surfaces and fabrics, different antiseptic coverings, sensors for monitoring the environment and catalysts mitigating pollution.
Leads the reader through the theory, research and key applications of nanochemistry, providing a thorough reference for researchers 40% more content than the first edition and an expanded author team Reviews new advances in the field, including organic nanoparticles and key methods for making nanoparticles (e.g. solvated metal atom dispersion and self-assembly techniques)

In the field of heterogeneous catalysis. it is convenient to distinguish. in a perfectly unjustified and over..simplified way. bet: leen metal catalysts. 2nd the other catalysts. The fj.J"st are easy to define: they are those in which a reduced metal is the active phase. It is thus easy to circumscribe. by exclusion, the other class namely the "non-metals." We have adopted this definition for the sake of our colleagues working on catalysis by metals, and to avoid a lengthy title like "sm' face pl"operties and catalysts by transi tion metal oxides. sulftdes, carbides, nitriles, etc. Defined in this manner, non-metal catalysts represented, in 1980, 84 wt. % of the industrial heterogeneous catalysts. To be more specific, this proportion corresponds to catalysts which, under the working conditions in the industrial ?lant. contain their catalytically active metallic elements in a non-reduced state. It should however be recalled that most metal catalysts are supported on oxides, which, often, repl'esent over 90% (sometimes 99.4% in the case of the platinum reforming catalysts) of the total weight."

Rasmus Brogaard's thesis digs into the fundamental issue of how the shape of a molecule relates to its photochemical reactivity. This relation is drastically different from that of ground-state chemistry, since lifetimes of excited states are often comparable to or even shorter than the time scales of conformational changes. Combining theoretical and experimental efforts in femto-second time-resolved photoionization Rasmus Brogaard finds that a requirement for an efficient photochemical reaction is the prearrangement of the constituents in a reactive conformation.
Furthermore, he is able to show that by exploiting a strong ionic interaction between two chromophores, a coherent molecular motion can be induced and probed in real-time. This way of using bichromophoric interactions provides a promising strategy for future research on conformational dynamics.

In this historical volume Salvatore Califano traces the developments of ideas and theories in physical and theoretical chemistry throughout the 20th century. This seldom-told narrative provides details of topics from thermodynamics to atomic structure, radioactivity and quantum chemistry. Califano's expertise as a physical chemist allows him to judge the historical developments from the point of view of modern chemistry. This detailed and unique historical narrative is fascinating for chemists working in the fields of physical chemistry and is also a useful resource for science historians who will enjoy access to material not previously dealt with in a coherent way.

Surfactants are often completely invisible to us and yet they are present in almost every chemical that we use in our daily life. They are found in toothpastes, cosmetics, sunscreens, mayonnaise, detergents, and an array of cleaning products. Traditional surfactants are known to have adverse environmental impacts spurring research into eco-friendly and cost-effective surfactants from renewable resources. Surfactants from Renewable Raw Materials examines the class of surfactants synthesized using plant-based raw materials detailing their properties, applications, bioavailability, and biodegradability. The concluding chapter reviews patent activity over the last decade. Additional features include: Addresses the tremendous variation found in the raw materials used to synthesize commercially available surfactants. Explores the selection of raw materials based upon the desired hydrophobic group or hydrophilic group to be incorporated into the product. Examines the characteristics and medicinal applications of pulmonary surfactants in preterm babies as well as their probable contribution in COVID-19 Discusses the biodegradability of surfactants to assist with the determination of truly green surfactants. This comprehensive reference will prove indispensable for professional and academic researchers creating or working with bio-based surfactants.

QSAR and SPECTRAL-SAR in Computational Ecotoxicology presents a collection of studies based on the epistemological bulk data-information-knowledge of the chemicals used in green chemistry. It assesses a specific model of pattern characterization of concerned active substances at the bio-, eco-, and pharmacologic levels through unitary formulation of the effector-receptor binding degree potential, including the logistic type by employing a computational algebraic quantitative structure-activity relationship (QSAR) model called SPECTRAL-SAR. It aims to minimize the residual recorded activities in the experiments that study the enzymic, ionic liquid, antagonists, and allosteric inhibition interactions. The book covers: The classic QSAR approach The new SPECTRAL-SAR approach How to draw SPECTRAL-SAR maps for predicting ecotoxicological mechanisms for a given series of toxicants and single or multi-species in an open system Biological activity as related to chemical reactivity through associate descriptors This book will be very useful in advanced courses on computational ecotoxicology, drug design and interaction, methods in quantum and computational chemistry, chemical molding, chemical bonding, and others.

This book explores the remarkable information correspondences and probability structures of proteins. Correspondences are pervasive in biochemistry and bioinformatics: proteins share homologies, folding patterns, and mechanisms. Probability structures are just as paramount: folded state graphics reflect Angstrom-scale maps of electron density. The author explores protein sequences (primary structures), both individually and in sets (systems) with the help of probability and information tools. This perspective will enhance the reader's knowledge of how an important class of molecules is designed and put to task in natural systems, and how we can approach class members in hands-on ways.

The Second Edition of Introduction to Electrochemical Science and Engineering outlines the basic principles and techniques used in the development of electrochemical engineering related technologies, such as fuel cells, electrolyzers, and flow-batteries. Covering topics from electrolyte solutions to electrochemical energy conversion systems and corrosion, this revised and expanded edition provides new educational material to help readers familiarize themselves with some of today's most useful electrochemical concepts. The Second Edition includes a new Appendix C with a detailed description of how the most common electrochemical laboratories can be organized, what data should be collected, and how the data should be treated and presented in a report. Video demonstrations for these laboratories are available on YouTube. In addition, the author has added conceptual and numerical exercises to all of the chapters to help with the understanding of the book material and to extend the important aspects of the electrochemical science and engineering. Finally, electrochemical impedance spectroscopy is now used in most electrochemical laboratories, and so a new section briefly describes this technique in Chapter 7. This new edition Ensures readers have a fundamental knowledge of the core concepts of electrochemical science and engineering, such as electrochemical cells, electrolytic conductivity, electrode potential, and current-potential relations related to a variety of electrochemical systems Develops the initial skills needed to understand an electrochemical experiment and successfully evaluate experimental data without visiting a laboratory Promotes an appreciation of the capabilities and applications of key electrochemical techniques Features eight lab descriptions and instructions that can be used to develop the labs by instructors for a university electrochemical engineering class Integrates eight online videos with lab demonstrations to advise instructors and students on how the labs can be carried out Features a solutions manual for adopting instructors The Second Edition is an ideal and unique text for undergraduate engineering and science students and readers in need of introductory-level content. Graduate students and engineers looking for a quick introduction to the subject will benefit from the simple structure of this book. Instructors interested in teaching the subject to undergraduate students can immediately use this book without reservation.

Electrolyte solutions play a key role in traditional chemical industry processes as well as other sciences such as hydrometallurgy, geochemistry, and crystal chemistry. Knowledge of electrolyte solutions is also key in oil and gas exploration and production, as well as many other environmental engineering endeavors. Until recently, a gap existed between the electrolyte solution theory dedicated to diluted solutions, and the theory, practice, and technology involving concentrated solutions. Electrolytes: Supramolecular Interactions and Non-Equilibrium Phenomena in Concentrated Solutions addresses concentrated electrolyte solutions and the theory of structure formation, super and supramolecular interactions, and other physical processes with these solutions-now feasible due to new precision measurement techniques and experimental data that have become available. The first part of the book covers the electrolyte solution in its stationary state-electrostatic, and various ion-dipole, dipole-dipole, and mutual repulsion interactions. The second part covers the electrolyte solution in its nonstationary status, in the case of forced movement between two plates-electrical conductivity, viscosity, and diffusion. This theoretical framework allows for the determination of activity coefficients of concentrated electrolyte solutions, which play a key role in many aspects of electrochemistry and for developing novel advanced processes in inorganic chemical plants.

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.

This book describes the complexity of impact hazards associated with asteroids and comets. The challenge in this regard lies in the heterogeneous nature of these bodies that endanger our planet, which is why we are conducting new experiments to better understand their unique physicochemical properties. Several generations of astronomers have tracked and mapped the orbits of asteroids and comets over the past few centuries, and telescopic surveys have only begun to discover "new" interstellar objects. In addition, cutting-edge software allow our computers to combine the orbits of these elusive bodies to study how they evolve over time and seek to match asteroid complexes as fragments of asteroidal and cometary disruptions. Impact hazards represent one of the greatest threats to the survival of human beings in the medium term. Geological studies show that the stratigraphic record holds clear geological evidence of these rare but transcendental encounters in the history of life on our planet. The study and quantification of past catastrophes can give us clues to face future challenges in the form of potential impacts. Further, it would be illogical to assume that Earth's interaction with space is limited to major impacts. Every night, Earth is struck by millions of particles, and dozens of meteor showers occur around the globe every year. The study of lake and ocean sediments reveals the magnitude of the continuous contribution of interplanetary matter reaching Earth: roughly 100,000 tons per year. Accordingly, the goal of this book is to underscore the need for society-wide awareness of the dangers associated with asteroid and comet impacts, on the basis of scientific evidence and with no intention of sparking alarmism. After all, we ourselves may only be the fruit of an opportunity given to mammals sixty-five million years ago to evolve after the conflagration that would be the downfall of the dinosaurs. If we have learned to read Earth's geological history, we should consider ourselves a very fortunate species, and its teachings should equip us to face this problem. The also book emphasizes the role of space missions to gain insights on these bodies, particularly describing the relevance of the DART (NASA) and Hera (ESA) missions to deflect and study Dimorphos, respectively, the small satellite of the Didymos binary asteroid.

This book is an up-to-date review of the most important plasma-based techniques for material modification, from microelectronics to biological materials and from fusion plasmas to atmospheric ones. Each its technical chapters is written by long-experienced, internationally recognised researchers. The book provides a deep and comprehensive insight into plasma technology and its associated elemental processes and is illustrated throughout with excellent figures and references to complement each section. Although some of the topics covered can be traced back several decades, care has been taken to emphasize the most recent findings and expected evolution. The first time the word 'plasma' appeared in print in a scientific text related to the study of electrical discharges in gases was 1928, when Irving Langmuir published his article 'Oscillations in Ionized Gases'. It was the baptism of the predominant state of matter in the known universe (it is estimated that up to 99% of matter is plasma), although not on earth, where the conditions of pressure and temperature make normal the states of matter (solid, liquid, gas) which, in global terms, are exotic. It is enough to add energy to a solid (in the form of heat or electromagnetic radiation) to go into the liquid state, from which gas is obtained through an additional supply of energy. If we continue adding energy to the gas, we will partially or totally ionise it and reach a new state of matter, plasma, made up of free electrons, atoms and molecules (electrically neutral particles) and ions (endowed with a positive or a negative electric charge).

The whole of Volume 22 is devoted to the kinetics and mechanisms of the decomposition and interaction of inorganic solids, extended to include metal carboxylates. After an introductory chapter on the characteristic features of reactions in the solid phase, experimental methods of investigation of solid reactions and the measurement of reaction rates are reviewed in Chapter 2 and the theory of solid state kinetics in Chapter 3. The reactions of single substances, loosely grouped on the basis of a common anion since it is this constituent which most frequently undergoes breakdown, are discussed in Chapter 4, the sequence being effectively that of increasing anion complexity. Chapter 5 covers reactions between solids, and includes catalytic processes where one solid component remains unchanged, double compound formation and rate processes involving the interactions of more than three crystalline phases. The final chapter summarises the general conclusions drawn in the text of Chapter 2-5.

Electrochemistry of Porous Materials describes essential theoretical aspects of the electrochemistry of nanostructured materials and primary applications, incorporating the advances in the field in the last ten years including recent theoretical formulations and the incorporation of novel materials. Concentrating on nanostructured micro- and mesoporous materials, the highly anticipated Second Edition offers a more focused and practical analysis of key porous materials considered relatively homogeneous from an electrochemical point of view. The author details the use of electrochemical methods in materials science for characterization and their applications in the fields of analysis, energy production and storage, environmental remediation, and the biomedical arena. Additional features include: Incorporates new theoretical advances in the voltammetry of porous materials and multiphase porous electrochemistry. Includes new developments in sensing, energy production and storage, degradation of pollutants, desalination and drug release. Describes redox processes for different porous materials, assessing their electrochemical applications. Written at an accessible and understandable level for researchers and graduate students working in the field of material chemistry. Selective and streamlined, Electrochemistry of Porous Materials, Second Edition culls a wide range of relevant and practically useful material from the extensive literature on the subject, making it an invaluable reference for readers of all levels of understanding.

This thesis identifies the turning point in chain length, after which alkanes self-solvate into a folded structure instead of an extended stretched conformation. After this turning point, London dispersion forces rearrange isolated n-alkanes into a particular hairpin-structure, while for shorter chain lengths, a simple stretched conformation is energetically preferred. This thesis can locate the experimental turning point for the first time in an interaction-free manner from measurements of unbranched alkanes at low temperatures in supersonic jet expansions. It contains a detailed analysis of the vibrational Raman spectra of the chain molecules, which is supported by comprehensive quantum chemical simulations. In this way, the detailed balance between inter-chain attraction and conformational flexibility can be quantified. The investigations are complemented by measurements of perfluoroalkanes and similarities and differences between the compounds are discussed. Furthermore, Nils Luttschwager determines the stiffnesses (elastic moduli) of two of the most common industrial polymers: polyethylene and polytetrafluorethylene. He uses in this thesis a sophisticated extrapolation to calculate this value from quantities of their building blocks, showing that the single polymer molecules can be as stiff as a rod of steel.

Professionals recognize entropy-enthalpy compensation as an important factor in molecular recognition, lead design, water networks, and protein engineering. It can be experimentally studied by proper combinations of diverse spectroscopic approaches with isothermal titration calorimetry and is clearly related to molecular dynamics. So, how should we treat entropy-enthalpy compensation? Is it a stubborn hindrance that solely complicates the predictability of phenomena otherwise laid on the line by Mother Nature? How should we then deal with it? This book dwells on these posers. It combines two chapters written by globally recognized specialists. Chapter 1 deals with general issues and suggests a definite approach to how we may answer the posers. Chapter 2 shows how the approach outlined might be successfully applied in a rational design of enzymes. This might provide other interesting strategic perspectives in the general theoretical physical chemistry field.