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.

Nanotechnology-Based E-Noses: Fundamentals and Emerging Applications reviews advances in nanomaterials and their modification for use in e-sensors. Theoretical understanding of nanomaterials and technologies for improving sensors with better detection limits are covered, as are the most relevant nanomaterials, their synthesis strategies and the relationship between properties and device performance. Current state-of-the-art progress in nanotechnology device fabrication, along with directions for future applications and challenges are also discussed. This book will be an ideal resource for materials scientists, engineers, chemists, researchers in academia and R&D in industry. Recently, "e-noses" or "electronic sensors" are emerging as advanced technologies for the fast detection of chemicals, gases and explosives. The concept behind the "e-nose" is similar to the capability of humans and dogs in detecting materials based on odors. Nanomaterials can be used for e-nose technologies but their properties must be modified to make them effective sensors. The sensing capability and performance these materials depend on several factors such as morphology, dopants, micro-additives, design of sensors, phase and structure of the nanomaterials.

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.

Advanced Applications of Ionic Liquids discusses the intersection of nanotechnology with ionic liquids (ILs) and materials, along with opportunities for advanced engineering applications in various research fields. Novel materials at nano scales with ILs creates an upsurge in the thermal and electrochemical constancy of the nano scale particles, making them ideal for industrial applications. The implementation of ILs at nano scale includes an interaction of constituents, which is beneficial for electron transfer reactions. These new composites can be implemented as sensors, electronics, catalysts and photonics. Including ILs in polymer composites enhance electrochemical consistency, govern particle size, upsurge conductivity, reduce toxicity, and more. This book is a comprehensive reference for researchers working with IL based technologies for environmental and energy applications.

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.

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.

Inflammation and Natural Products brings together research in the area of the natural products and their anti-inflammatory action in medical, nutraceutical and food products, addressing specific chronic inflammatory diseases like cancer and the mechanistic aspects of the mode of action of some key natural products. Inflammation is a complicated process, driven by infection or injury or genetic changes, which results in triggering signalling cascades, activation of transcription factors, gene expression, increased levels of inflammatory enzymes, and release of various oxidants and pro-inflammatory molecules in inflammatory cells. Excessive oxidants and inflammatory mediators have a harmful effect on normal tissue, including toxicity, loss of barrier function, abnormal cell proliferation, inhibiting normal function of tissues and organs and finally leading to systemic disorders. The emerging development of natural product formulations utilizing the unique anti-inflammatory compounds such as polyphenols, polysaccharides, terpenes, fatty acids, proteins and several other bioactive components has shown notable successes. Inflammation and Natural Products: Recent Development and Current Status provides a comprehensive resource, ranging from detailed explanation on inflammation to molecular docking strategies for naturally occurring compounds with anti-inflammatory activity. It is useful for graduate students, academic and professionals in the fields of pharmaceutical and medical sciences and specialists from natural product-related industries.

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.

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.

Advances in Quantum Chemistry, Volume 86 highlights new advances in the field, with this new volume presenting topics covering Can orbital basis sets compete with explicitly correlated ones for few-electron systems?, Converging high-level equation-of-motion coupled-cluster energetics with the help of Monte Carlo and selected configuration interaction, Coupled cluster downfolding techniques: a review of existing applications in classical and quantum computing for chemical systems, Multi-reference methods for the description of dynamic and nondynamic electron correlation effects in atoms and molecules, Exploring the attosecond laser-driven electron dynamics in the hydrogen molecule with different TD-CI approaches, and much more. Additional sections cover Molecular systems in spatial confinement: variation of linear and nonlinear electrical response of molecules in the bond dissociation processes, Relativistic Infinite-order two-component methods for heavy elements, Second quantized approach to exchange energy revised - beyond the S^2 approximation, Calculating atomic states without the Born-Oppenheimer approximation, Convergence of the Correlated Optimized Effective Potential Method, and more.

Practical Application of Supercritical Fluid Chromatography for Pharmaceutical Research and Development provides a valuable "go-to" reference for many difficult-to-solve challenges using pertinent chromatographic theory, first-hand case studies, and examples provided from academic and industry experts. This text also enables professors teaching an analytical instrumental course to introduce and instruct students about one of the most sustainable and powerful separation methods currently available. While the text has broad applicability across industrial sectors, it focuses primarily on application in the pharmaceutical industry. The book is designed to allow readers to align current HPLC/UHPLC capabilities with SFC as an orthogonal tool for project specific methods in the pharmaceutical industry. It highlights where SFC falls on the spectrum of useful chromatographic tools for routine and challenging separative methods. Experienced HPLC users who are interested in developing knowledge in orthogonal separation techniques, as well as newcomers to the field of separation science, will find this text particularly useful. Chapters address where SFC may fit the analytical needs of the pharmaceutical industry and alert the readers as to where the technique will not fit. Readers will gain an understanding of how and where SFC may be applied and adapted more routinely across the pharmaceutical industry as a 'green' way of undertaking separation opportunities and challenges. Areas within the pharmaceutical industry include early drug discovery, process chemistry, and late stage development and manufacturing.

Coronavirus Drug Discovery, Volume Three: Druggable Targets and In Silico Update presents comprehensive information on drug discovery against COVID-19. Chapters in Part One of this volume describe the various druggable targets and associated signaling pathways for effective targeting of SARS-CoV-2. In Part Two, chapters discuss the various computational approaches and in silico studies against SARS-CoV-2. Written by global team of experts, this book is an excellent resource that will be extremely useful to drug developers, medicinal chemists, pharmaceutical companies in R&D, research institutes in both academia and industry, and the National Library of Medicines and Health. In addition, agencies such as the National Institutes of Health, Centers for Disease Control and Prevention, World Health Organization, European Medicines Agency, the US Food and Drug Administration, and all others involved in drug discovery against COVID-19 will find this book useful.

Atomic Clusters with Unusual Structure, Bonding and Reactivity: Theoretical Approaches, Computational Assessment and Applications reviews the latest computational tools and approaches available for accurately assessing the properties of a cluster, while also highlighting how such clusters can be adapted and utilized for the development of novel materials and applications. Sections provide an introduction to the computational methods used to obtain global minima for clusters and effectively analyze bonds, outline experimental approaches to produce clusters, discuss specific applications, and explore cluster reactivity and usage across a number of fields. Drawing on the knowledge of its expert editors and contributors, this book provides a detailed guide to ascertaining the stability, bonding and properties of atomic clusters. Atomic clusters, which exhibit unusual properties, offer huge potential as building blocks for new materials and novel applications, but understanding their properties, stability and bonding is essential in order to accurately understand, characterize and manipulate them for further use. Searching for the most stable geometry of a given cluster is difficult and becomes even more so for clusters of medium and large sizes, where the number of possible isomers sharply increase, hence this book provides a unique and comprehensive approach to the topic and available techniques and applications.

Addition, Elimination and Substitution: Markovnikov, Hofmann, Zaitsev and Walden: Discovery and Development discusses foundational reactions in organic chemistry and their major protagonists, contributions to synthesis, and history. Hofmann, Zaitsev, and Markovnikov are introduced, along with their major discoveries and contributions to organic chemistry. The history of controversies around Markovnikov's Rule are addressed. The book introduces Walden's original demonstration of configuration inversion, then discusses bimolecular elimination reactions, regioselective addition reactions, regiospecific alkene synthesis, and the development of modern reactions with configuration inversion. With its unique perspective, focus, and comprehensive coverage, this book belongs on the shelf of every organic chemist.

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.

Naturally Occurring Chemicals against Alzheimer's Disease offers a detailed discussion on the roles, molecular mechanisms, structural activity relationships, toxicology and clinical data on phytochemicals in relation to Alzheimer's disease. The book examines the available phytochemicals and plants that are potentially effective, also determining the role and molecular targets of these phytochemicals in combating AD. This comprehensive resource will be helpful to researchers who are working on herbal drugs on AD, phytochemistry, pharmacology, toxicology, clinical trials, neuroscience and advancement in formulations.