Jack Sabin, Scientist and Friend, Volume 85 in the Advances in Quantum Chemistry series, highlights new advances in the field, with chapters in this new release including: Elastic scattering of electrons and positrons from alkali atoms, Dissipative dynamics in many-atom systems, Shape sensitive Raman scattering from Nano-particles, Experience in E-learning and Artificial Intelligence, Structure and Correlation of Charges in a Harmonic Trap, Simulation of Molecular Spectroscopy in Binary Solvents, Approach for Orbital and Total Mean Excitation Energies of Atoms, and A New Generation of Quasiparticle Self-Energies. Additional sections cover: The stopping power of relativistic targets, Density functional methods for extended helical systems, Inspecting nlm-distributions due to charge exchange collisions of bare ions with hydrogen, Long-lived molecular dications: a selected probe for double ionization, and much more.

Biodegradability of Conventional Plastics: Opportunities, Challenges, and Misconceptions brings together innovative research on the biodegradability of conventional plastics, providing an extensive overview of approaches and strategies that may be implemented, while also highlighting other methods for alleviating the eventual environmental impact of plastics. The book begins by providing a lifecycle assessment of plastics, the environmental impact of plastic waste, and the factors that affect the biodegradability of plastics. The different categories and terminologies surrounding bio-based plastics and biodegradable plastics are then defined and explained in detail, as are the issues surrounding bioplastics. Other sections discuss biodegradability, approaches for enhanced biodegradability of various major types of plastics, including polyolefins, polyethylene terephthalate (PET), polystyrene, poly(vinyl chloride), automotive plastics and composites, and agricultural plastic waste. The final part of the book focuses on further techniques and emerging areas, including the utilization of chemical additives, nanomaterials, the role of microbes in terms of microbial degradation and microbial attaching, revalorization of plastic waste through industrial biotechnology, and future opportunities and challenges.

Sensing of Deadly Toxic Chemical Warfare Agents, Nerve Agent Simulants, and their Toxicological Aspects provides a general overview of the development and performance of different novel molecular frameworks as potent vehicles for sensing Chemical Weapons (CWs). The chapters are contributed by leading researchers in the areas of materials science, medical science, chemical science, and nanotechnology from industries, academics, government and private research institutions across the globe. It covers cover topics such as inorganic nanocomposites, hyperbranched polymers, and graphene heterojunctions for effective sensing of CW agents. This book is a highly valuable reference source for graduates, post-graduates, and research scholars primarily in the fields of materials science, medicinal chemistry, organic chemistry, and nanoscience and nanotechnology. In addition, almost all analytical techniques will be discussed, making this a first-rate reference for professors, students, and scientists in many industries.

Virtual Screening and Drug Docking, Volume 59 in the Annual Reports on Medicinal Chemistry series, highlights new advances in the field, with this new volume presenting interesting chapters on a variety of timely topics, including Can docking scoring functions guarantee success in virtual screening?, No dance, no partner! A tale of flexibility in docking and virtual screening, Handling Imbalance Data in Virtual Screening, Rational computational approaches to predict novel drug candidates against leishmaniasis, Virtual screening against Mtb DNA gyrase: Applications and success stories, Using Filters in Virtual Screening: A Brief Guide to Minimize Errors and Maximize Efficiency, and more. Additional chapters in the new release include Machine Learning and Deep Learning Strategies for Virtual Screening, Applications of the Virtual Screening to find the novel HIV-1 therapeutic agents, and Large-scale screening of small molecules with docking strategies and its impact on drug discovery.

Advances in Physical Organic Chemistry, Volume 56 presents the latest reviews of recent work in physical organic chemistry. The book provides a valuable source of information that is ideal not only for physical organic chemists applying their expertise to both novel and traditional problems, but also for non-specialists across diverse areas who identify a physical organic component in their approach to research. Chapters due to be included in this release cover flavin-dependent enzyme catalysed reactions, coacervates and their properties, heavy atom tunnelling, machine learning, acidity and substituent effects.

Advanced Applications of Biobased Materials: Food, Biomedical, and Environmental Applications brings together cutting-edge developments in the preparation and application of biobased materials. The book begins by providing an overview of biobased materials, their classification, and their physical and chemical modifications. This is followed by a section covering the latest techniques in fabrication, processing and characterization. Subsequent chapters are grouped by application area, offering insights into advanced and emerging utilizations of biobased materials in food, biomedical and environmental applications. Sections cover lifecycle assessment, circular economy, sustainability, and future potential. This is a valuable resource for researchers, scientists and advanced students across polymer science, sustainable materials, biomaterials, materials chemistry, composite science, nanotechnology, biomedical engineering, and environmental science, as well a great book for engineers and R&D with an interest in biobased materials for emerging applications in the areas of biomedicine, food and the environment.

Medicinal Chemistry of Tick-Borne Encephalitis, Volume 58 in the Annual Reports in Medicinal Chemistry serial, highlights new advances in the field, with this new volume presenting interesting chapters on the Discovery of small molecule TBEV antivirals, Perylene as a controversial antiviral scaffold, Animal models of TBEV infection for preclinical studies of drugs and vaccines, Insights from experience in the treatment of tick-borne bacterial co-infections with tick-borne encephalitis, Small molecule-based inhibitors of flaviviral RNA-dependent RNA-polymerase: prospective candidates for treatment of tick-borne encephalitis virus infection, and Structural Biology and Proteomics of Tick-Borne Encephalitis Virus.

Polymeric Materials in Corrosion Inhibition: Fundamentals and Applications brings together the very latest information and techniques in the preparation and application of a broad range of polymeric materials as corrosion inhibitors in diverse corrosive environments. Sections introduce the fundamentals of polymeric materials, corrosion and corrosion inhibitors and include methodical coverage of polymers as corrosion inhibitors, with separate sections for natural and synthetic polymers. Each chapter guides the reader through the synthesis, properties and application of a specific polymer for corrosion inhibition, including an analysis of advantages and disadvantages and guidance on methods for improved performance. Final chapter cover other important aspects and developments, including adsorption mechanisms, quantum chemical calculations, molecular dynamics and simulations. This is a valuable reference for researchers and advanced students across a range of disciplines, including polymer science, corrosion, electrochemistry, materials science, chemical engineering, and petroleum engineering.

Annual Reports on NMR Spectroscopy, Volume 107, the latest release in a series that has established itself as a premier resource for both specialists and non-specialists interested in new techniques and applications pertaining to NMR spectroscopy, includes a variety of updated chapters covering NMR Diffusion Studies, Recent Advances in Understanding of Nucleus Contributions to NMR Nuclear Shieldings, and more.

Mass Transport in Magmatic Systems describes the properties and processes of these natural occurrences, including a description and discussions of how properties can be used for quantitative description of mass and energy transport on, and in, Earth and terrestrial planets. As the experimentally obtained chemical and physical properties of magma is scattered across literature, this book provides a comprehensive volume on the topic. Moreover, links between properties and processes are rarely appreciated. This makes it challenging for a non-experimentalist to access, evaluate, and apply such data.

Computer-Aided Drug Design (CADD): From Ligand-Based Methods to Structure-Based Approaches outlines the basic theoretical principles, methodologies and applications of different fundamental and advanced CADD approaches and techniques. Including information on current protocols as well as recent developments in the computational methods, tools and techniques used for rational drug design, the book explains the fundamental aspects of CADD, combining this with a practical understanding of the various in silico approaches used in modern drug discovery processes to assess the field in a comprehensive and systematic manner. Providing up-to-date, information and guidance for scientists, researchers, students and teachers, the book helps readers address specific academic and research related problems using illustrative explanations, examples and case studies, which are systematically reviewed.

Photochemistry of Heterocycles is a comprehensive review of the topic, including photooxidation, photoreduction and photoaddition reactions as well as industrial aspects of heterocyclic photochemistry. Many materials used for the manufacturing of OLEDs and other electrooptical switches contain heterocycles, and the use of small molecules or polymers containing heterocyclic substances are being studied as new photovoltaic materials. This reference is ideal for synthetic organic chemists, specifically researchers working in organic photochemistry, as well as medicinal chemists and material scientists. Heterocyclic compounds are widely used in the modern world, and most of the drugs currently in use have heterocyclic nuclei among their constituents. These compounds are subject to a photochemical degradation processes which must be known and prevented.

Polymer-Based Nanoscale Materials for Surface Coatings presents the latest advances and emerging technologies in polymer-based nanomaterials for coatings, focusing on novel materials, characterization techniques, and cutting-edge applications. Sections present the fundamentals of surface preparation and nanocoatings, linking materials and properties, explaining the correlation between morphology, surface phenomena, and surface protection mechanism, and covering theory, modeling and simulation. Other presented topics cover characterization methods, with an emphasis on the latest developments in techniques and approaches. Aging and lifecycle assessment of coated surfaces and coatings are also discussed. Final sections explore advanced applications across a range of fields, including intelligent coatings for biomedical implants, self-healing coatings, syper-hydrophobicity, electroluminescence, sustainable edible coatings, marine antifouling, corrosion resistance, and photocatalytic coatings.

Comprehensive Analytical Chemistry Volume 101, "Smartphones for chemical analysis: From proof-of-concept to analytical applications" highlights the emergence of smartphones as analytical detectors in the chemical analysis field. The volume covers a wide range of topics starting from the contribution of smartphones towards ubiquitous testing. The challenges related to their coupling with various analytical methods, such as, colorimetry or electrochemistry are identified and discussed to enhance trust towards this newly emerge technology. Case studies with applications of smartphone-based methods in various analytical fields, e.g., food or microplastics analysis are also comprehensively presented.

Recent Developments in the Synthesis and Applications of Pyridines is a comprehensive handbook for organic chemists working on innovative approaches to the synthesis of pyridines. Written by scientists in both academia and industry and designed to be a standalone reference, the book features reviews, research results and case studies on synthetic methods and applications of pyridine-based chemotypes. The book will bridge the gap between industry and academia by presenting recent innovative approaches to the synthesis of pyridines, diverse application of pyridines in drug development, heterogeneous catalysis and material science, as well as benchtop to shelf narratives of pyridine-based compounds in the industry. The role of computational chemistry in the development of pyridine-based bioactive molecules is also included. This reference is essential for researchers in organic chemistry both in academic and industrial settings, postgraduates in chemistry and medicinal chemistry.

Vapor Generation Techniques for Trace Element Analysis: Fundamental Aspects provides an overview and discussion of the fundamental aspects governing derivatization reactions of trace-level elements for analytical purposes. Vapor generation techniques coupled with atomic or mass spectrometry have been employed for over 50 years, but their popularity has dramatically increased in recent years, especially as alternative vapor generation approaches have been developed. This book bridges the knowledge gap of the derivatization mechanisms that yield volatile compounds and provides an update on recent developments in vapor generation techniques used for the determination and speciation of trace elements by atomic optical and mass spectrometry. It will serve as a comprehensive, single-source overview of recent developments, providing readers with an understanding of the correct implementation-and limitations-of applying vapor generation techniques to everyday analytical problems facing the trace element analyst.

Carbon Nanomaterials-Based Sensors: Emerging Research Trends in Devices and Applications covers the most recent research and design trends for carbon nanomaterials-based sensors for a variety of applications, including clinical and environmental uses, and more. Carbon nanomaterials-based sensors can be used with high sensitivity, stability and accuracy compared to other techniques. Written by experts in their given fields from around the world, this book helps researchers solve the particular challenges they face when developing new types of sensors. It instructs how to make sensitive, selective, robust, fast-response and stable carbon nanomaterial-based sensors, as well as how to utilize them in real life.

Sensing Tools and Techniques for COVID-19: Developments and Challenges in Analysis and Detection of Coronavirus helps readers understand the basic principles of sensor development. Sections give a brief overview of the physical and chemical properties of sensing tools and the basics of techniques. With recent advancements in sensing technology, various smart materials and techniques are now being employed for new purposes. In addition, biosensing devices can be tuned at the molecular level to perform better detection of COVID-19. This book covers the various approaches for the development and fabrication of biosensor systems for the analysis of the novel coronavirus. In addition, the book discusses the commercialization and standardization of biosensing technology, along with future perspectives on biosensor technologies used for the analysis and treatment of COVID-19. This book will serve as an up-to-date source of trusted information on biosensor tools and techniques for the analysis of COVID-19.

Quantum Dots: Fundamentals, Synthesis and Applications compiles key information, along with practical guidance on quantum dot synthesis and applications. Beginning with an introduction, Part One highlights such foundational knowledge as growth mechanisms, shape and composition, electrochemical properties, and production scale-up for quantum dots. Part Two goes on to provide practical guides to key chemical, physical and biological methods for the synthesis of quantum dots, with Part Three reviewing the application of quantum dots and a range of important use cases, including photocatalysis, energy cells and medical imaging. Drawing on the knowledge of its expert authors, this comprehensive book provides practical guidance for all those who already study, develop or use quantum dots in their work.

Fundamentals of Sensor Technology: Principles and Novel Designs presents an important reference on the materials, platforms, characterization and fabrication methods used in the development of chemical sensor technologies. Sections provide the historical context of sensor technology development, review principles for the design of sensing devices and circuits, delve into the most common chemical and biological sensor types, cover unique properties and performance requirements, discuss fabrication techniques, including defining critical parameters, modeling and simulation strategies, and present important materials categories used in sensing applications, such as nanomaterials, quantum dots, magnetic materials, and more. This book is appropriate for the interdisciplinary community of researchers and practitioners interested in the development of sensor technologies, including materials scientists and engineers, analytical chemists and other related disciplines.

Quantum chemistry is simulating atomistic systems according to the laws of quantum mechanics, and such simulations are essential for our understanding of the world and for technological progress. Machine learning revolutionizes quantum chemistry by increasing simulation speed and accuracy and obtaining new insights. However, for nonspecialists, learning about this vast field is a formidable challenge. Quantum Chemistry in the Age of Machine Learning covers this exciting field in detail, ranging from basic concepts to comprehensive methodological details to providing detailed codes and hands-on tutorials. Such an approach helps readers get a quick overview of existing techniques and provides an opportunity to learn the intricacies and inner workings of state-of-the-art methods. The book describes the underlying concepts of machine learning and quantum chemistry, machine learning potentials and learning of other quantum chemical properties, machine learning-improved quantum chemical methods, analysis of Big Data from simulations, and materials design with machine learning. Drawing on the expertise of a team of specialist contributors, this book serves as a valuable guide for both aspiring beginners and specialists in this exciting field.

Rethinking Polyester Polyurethanes: Algae Based Renewable, Sustainable, Biodegradable and Recyclable Materials explains how and why bio-based materials, specifically algae, will change the polymer industry. The book provides background on algae, polyurethanes (PUs), and their everyday use. It covers the biology and chemistry behind how and why these materials are engineered to be both biodegradable and, through the process of depolymerization, fully recyclable. Chapters cover Re-evaluating the Sources, Redefining the Analytics, Reformulating Polyester Polyurethanes, and The Future. The latter part of the book describes the landscape of bio-based materials, the eco-consumer, and insights into the industry problem of "greenwashing." This book is a valuable resource for industry professionals who use polyurethanes in the supply chain for manufactured products, those in sales and marketing or regulatory roles who wish to better understand the unique advantages of bio-based materials, and researchers studying R&D of biobased polyurethanes or remediation of microplastics pollution on land and in bodies of fresh and saltwater worldwide.