Advances in Quantum Chemical Topology Beyond QTAIM provides a complete overview of the field, starting with traditional methods and then covering key steps to the latest state-of-the-art extensions of QTAIM. The book supports researchers by compiling and reviewing key methods, comparing different algorithms, and providing computational results to show the efficacy of the approaches. Beginning with an introduction to quantum chemistry, QTAIM and key extensions, the book goes on to discuss interacting quantum atoms and related energy properties, explores partitioning methods, and compares algorithms for QTAIM. Partitioning schemes are them compared in more detail before applications are explored and future developments discussed. Drawing together the knowledge of key authorities in the area, this book provides a comprehensive, pedogeological guide to this insightful theory for all those interested in modelling, exploring and understanding molecular properties.

Airborne Microplastics: Analysis, Fate and Human Health Effects, Volume 105 in the Comprehensive Analytical Chemistry series, highlights new advances in the field, with this new volume presenting interesting chapters written by an international board of authors.

Plastics and Sustainability: Practical Approaches provides a broad overview of sustainability as applied to plastics, offering a range of opportunities and solutions to be applied in an academic or industrial setting. The book begins by introducing the challenges and opportunities relating to plastics and environmental sustainability. This is followed by detailed eco-profiles organized by polymer category. Subsequent chapters explore various approaches to plastics sustainability, with in-depth coverage of incineration technology for energy recovery, pyrolysis for chemical recovery, blending technology, design, packaging, circular economy, and biopolymers. Finally, international policies are summarized. The book aims to provide a broad source of information and a range of options to readers on how to evaluate and improve the sustainability of plastics, with analyses of the advantages and drawbacks of different technologies and materials. Authored by two professional engineers with substantial experience in industry and consultancy, this is a valuable resource for all those looking for a wide-ranging overview of sustainability as applied to plastics, including researchers and advanced students from a range of materials science and engineering disciplines, and engineers, manufacturers, scientists, and R&D professionals from a range of industries.

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.

Anti-Aging Pharmacology provides an overview of current research aimed at the pharmacological modulation of aging, including a discussion of the growing number of novel drug classes with promising anti-aging potential. The aging process is the main risk factor for all chronic diseases affecting the elderly. With lifespans extending across the globe, these chronic diseases are placing a larger burden on individuals and health care systems. Therefore, slowing down the aging rate could be more effective in delaying aging-associated chronic disorders than combating them one by one, which is the conventional approach in a current disease-based pharmacological paradigm. This book contains the work of the world's leading researchers in the field, including sections on the conceptual and methodological background of anti-aging pharmacology, the basic classes of anti-aging drugs, phytochemicals, outcomes of anti-aging developments and future directions. This book will be of interest to a wide audience, ranging from pharmacologists, medicinal chemists and academic researchers in gerontology, biomedical sciences and those in medical practice.

Big Data Analytics in Chemoinformatics and Bioinformatics: With Applications to Computer-Aided Drug Design, Cancer Biology, Emerging Pathogens and Computational Toxicology provides an up-to-date presentation of big data analytics methods and their applications in diverse fields. The proper management of big data for decision-making in scientific and social issues is of paramount importance. This book gives researchers the tools they need to solve big data problems in these fields. It begins with a section on general topics that all readers will find useful and continues with specific sections covering a range of interdisciplinary applications. Here, an international team of leading experts review their respective fields and present their latest research findings, with case studies used throughout to analyze and present key information.

Special Volume in Memory of Hidetoshi Yamada, Part Two, Volume 82 in the Advances in Carbohydrate Chemistry and Biochemistry series, highlights new advances in the field with this new volume presenting interesting chapters written by an international board of authors. Updates in this new release include Automated and/or Electrochemical Synthesis, In Vivo Chemistry, Pseudo-Glycoconjugates with C-Glycoside linkage, Boron-Mediated Aglycon Delivery (BMAD) for the Stereoselective Synthesis of 1,2-cis Glycosides, and Conformationally Restricted Donors for Stereoselective Glycosylation.

Carbon Dots in Analytical Chemistry: Detection and Imaging explores recent progress in the field of carbon dots synthesis and properties and their integration with various miniaturized analytical devices for the detection of chemical species and imaging of cells. This book is dedicated to exploring the potential applications of carbon dots in analytical chemistry for clinical microbiology, pharmaceutical analysis and environmental analysis. Sections cover synthetic approaches and properties, sample preparation, analytical techniques for the detection of chemical species, imaging of molecules and cells, and analytical tools for biomedical and food analysis. The will be a valuable book for analytical and materials scientists, physical and chemical scientists, and engineers investigating the use of carbon nanomaterials in their analytical procedures.

Benzodiazepine-Based Drug Discovery covers benzodiazepines and benzothiazepines, which constitute two pivotal classes of heterocyclic compounds widely used as core structures of medicinal drugs for the treatment of depression, epilepsy, seizures and muscle spasms. 1,4-Benzodiazepine, 1,5-benzodiazepine, and 1,5-benzothiazepine are the most studied groups of benzodiazepines and benzothiazepines because of their outstanding potential biological activities. This book offers a broad range of recent developments and detailed coverage of the synthesis and biological activities of the drugs based on benzodiazepine and benzothiazepine matrixes, and is an ideal reference guide to researchers working in organic and medicinal chemistry. The importance of these privileged pharmacophores is not limited to the treatment of psychotic disorders because minor changes in the structures can generate various biological activities. They represent a wide range of therapeutic functions such as anticonvulsant, antianxiety, anti-depressant, antiviral, anti-HIV, anti-inflammatory, anticoagulant, anti-obesity, endothelin antagonist, cholecystokinin antagonist, and vasopressin receptor antagonist activities.

Biomedical Applications of Inorganic Photochemistry, Volume 80 in the Advances in Inorganic Chemistry series, highlights new advances in the field, with this new volume presenting interesting chapters written by an international board of authors. Chapters in this new release include Photochemical bio-signaling with Ruthenium complexes, Adventures in the photo-uncaging of small molecule bioregulators, Challenges in medicinal inorganic chemistry and best practices to ensure rigor and reproducibility, Strategic Design of Photo-functional Transition Metal Complexes for Targeted Bioimaging and Therapy, Photoactive Manganese carbonyl Complexes with fac-{Mn(CO)3} Moiety: Design, Application, and Potential as Prodrugs in CO Therapy, Mitochondrial Targeting Metal Complexes, and more. Other chapters cover Photoactive Organometallic Compounds with Antimicrobial Properties, Photoactivated platinum anticancer complexes, New ruthenium phthalocyanines liposomal-encapsulated in modulation of nitric oxide and singlet oxygen release: Selectivity cytotoxicity effect on cancerous cell lines, Inorganic Nanoparticles Engineered for Light-Triggered Unconventional Therapies, Mechanistic insight into phot-activation of small inorganic molecules from the biomedical application perspectives, Ruthenium Complexes for Photoactivated Dual Activity: Drug Delivery and Singlet Oxygen Generation, and Leveraging the Photophysical Properties of Rhenium(I) Tricarbonyl Complexes for Biomedical Applications.

Synthesis of Azetidines from Imines by Cycloaddition Reactions presents several methodologies for the synthesis of azetidines from imines by cycloaddition reactions. The azetidines, known as important contribution of science to humanity, are important organic compounds that have occupied a basic position in the pharmaceutical chemistry for over a hundred years because of their biological activities. They are the fundamental skeleton of several antibiotics, probiotics and alkaloids. The synthesis of azetidines is a constant challenge for medicinal chemists, hence this book comprehensively describes azetidine ring synthesis. With this book, readers will be able to quickly assess possible synthetic approaches and evaluate whether preparation of a four-membered nitrogen containing ring is reasonable.

The physical sciences and mathematics are extraordinarily useful in explaining the material world. People and society are constrained by physical reality, but we are often unclear on what constraints are absolute, which may be relative, and those that are simply a matter of taste. Bandwidth explains how limitations in the movement and perception of information constrain human behavior, cognition, interaction, and perspective. How fast can we learn? How much? Why are habits and biases unavoidable? Why is the common statement 'any nation that can land people on the moon surely can ...' frequently wrong? Using equations and physical models, Bandwidth describes constraints which, in part, explain political, economic, religious, and personal frictions. Aspects considered include: how much information can one human absorb in a lifetime? How far does a process of perturbation propagate? How do specialization or generalization, critical thinking or belief, influence what people accomplish? Throughout, equations are used to compactly express ideas, illustrating why mathematical economy of expression accelerates communication and deeper understanding. The critical impacts of uncertainty, fluctuations, or noise, and their implications for law and society, are emphasized.

Applications of Nanotechnology in Drug Discovery and Delivery, in the Drug Discovery Update series, presents complete coverage of the application of nanotechnology in the discovery of new drugs and efficient target delivery of drugs. The book highlights recent advances of nanotechnology applications in the biomedical sciences, starting with chapters that provide the basics of nanotechnology, nanoparticles and nanocarriers. Part II deals with the application of nanotechnology in drug discovery, with an emphasis on enhanced delivery of pharmaceutical products, with Part III discussing toxicological and safety issues arising from the use of nanomaterials. This book brings together a global team of experts, making it an essential resource for researchers, drug developers, medicinal chemists, toxicologists and analytical chemists.

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.

Special Volume in Memory of Hidetoshi Yamada, Volume 81, Part One, the latest release in the Advances in Carbohydrate Chemistry and Biochemistry series, highlights new advances in the field, with this new volume presenting interesting chapters on topics such as Automated and/or Electrochemical Synthesis, Chemical synthesis of sialoglyco-architectures, In Vivo Chemistry, Pseudo-Glycoconjugates with C-Glycoside linkage, Glycoproteins, Boron-Mediated Aglycon Delivery (BMAD) for the Stereoselective Synthesis of 1,2-cis Glycosides, Conformationally Restricted Donors for Stereselective Glycosylation, Yamada's carbohydrate chemistry, Bacterial Glycolipid Essential for Membrane Protein Integration, and Hidetoshi Yamada: his journey in the carbohydrate world.

Machine Learning and Pattern Recognition Methods in Chemistry from Multivariate and Data Driven Modeling outlines key knowledge in this area, combining critical introductory approaches with the latest advanced techniques. Beginning with an introduction of univariate and multivariate statistical analysis, the book then explores multivariate calibration and validation methods. Soft modeling in chemical data analysis, hyperspectral data analysis, and autoencoder applications in analytical chemistry are then discussed, providing useful examples of the techniques in chemistry applications. Drawing on the knowledge of a global team of researchers, this book will be a helpful guide for chemists interested in developing their skills in multivariate data and error analysis.

Annual Reports in Computational Chemistry, Volume 18 in this important serial, highlights new advances in the field, with this new volume presenting interesting chapters on a variety of timely topics, including Atomistic modelling of surface plasmon resonances, Recent Advances in Solvation Modelling Applications: Chemical Properties, Reaction Mechanisms and Catalysis, Entropy considerations in catalysis, High level computational chemistry methods, and Computational Organofluorine chemistry.

Thermal Degradation of Polymeric Materials, Second Edition offers a wealth of information for polymer researchers and processors who require a thorough understanding of the implications of thermal degradation on materials and product performance. Sections cover thermal degradation mechanisms and kinetics, as well as various techniques, such as thermogravimetry in combination with mass spectroscopy and infrared spectrometry to investigate thermal decomposition routes. Other chapters focus on polymers and copolymers, including polyolefins, styrene polymers, polyvinyl chloride, polyamides, polyurethanes, polyesters, polyacrylates, natural polymers, inorganic polymers, high temperature-resistant and conducting polymers, blends, organic-inorganic hybrid materials, nanocomposites, and biocomposites. Finally, other key considerations such as recycling of polymers by thermal degradation, thermal degradation during processing, and modelling, are discussed in detail.

Sustainable Polylactide-Based Composites integrates fundamental knowledge pertaining to manufacturing and characterization of polymer composites with a thorough and critical overview of the state-of-the-art in PLA-based composites, including significant past and recent advances. The book begins with insights into the basics of polymer composites, with special reference to sustainable composites, as well as fundamental knowledge related to PLA. This is followed by chapters on manufacturing methods, morphological characterization techniques, and the mechanical models used for polymer composites. A comprehensive overview of the state-of-the-art in PLA-based sustainable composites of all extensively used fillers is then presented. After providing fundamental knowledge related to PLA and polymer composites, including structure-property-processing relationship, the book focuses on recent research efforts and key research challenges in the development of PLA-based composites, as well as lifecycle assessment and recycling.

Atomically Precise Metal Nanoclusters discusses the host of exciting properties that can be better harnessed with a solid understanding of their different structures and subsequent properties at the molecular level. The book delves into the foundational chemistry of numerous key atomically precise clusters and provides guidance on key approaches employed to examine them. Beginning with an introduction to the properties and fundamental nano-chemistry of atomically precise metal nanoclusters, the book then explores key approaches for their synthesis, examination and modification, including chromatography, mass spectrometry, single crystal diffraction, electron microscopy and computational approaches. A final section covers specific nanoclusters and cluster systems. User will find the important knowledge of an experienced team of contributors who provide a detailed guide to understanding, investigating and utilizing these useful structures that is ideal for anyone working in related fields.