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Elsevier

Libros en Química

  • Advances in Heterocyclic Chemistry

    • 1 Edición
    • Volumen 148
    • Inglés
    Advances in Heterocyclic Chemistry, Volume 148 in this series, highlights new advances in the field, with this updated release presenting interesting chapters on topics such as Porphyrins Fused with Heterocyclic Rings: Preparation and Properties, Recent Developments in the Chemistry and Applications of 9-Deazapurines, Use of Deep Eutectic Mixtures in Heterocyclic Chemistry, Revisiting the Ugi Multicomponent Reaction Mechanism and its Application in the Synthesis of Fluorescent Heterocyclics, Application of the Prins Reaction in Heterocyclic Chemistry: Recent Trends, and Pyridinium-phenolate Dyes: Preparation and Properties.

  • Computational Chemistry for Experimentalists

    A Nonspecialist's Guide to Practical and Predictive Simulations
    • 1 Edición
    • Benjamin G. Janesko
    • Inglés
    Computational Chemistry for Experimentalists: A Nonspecialist's Guide to Practical and Predictive Simulations empowers chemists—especially those at emerging institutions or in small and medium enterprises—by transforming foundational chemical concepts into practical computational skills. A modular approach, paired with hands-on video tutorials, ensures that even nonspecialists can confidently apply simulations to their research, regardless of career stage or specialization. Beyond its accessible structure, the book features six modules covering core topics such as electronic structure theory and molecular dynamics. Ten experimental modules focus on simulating specific laboratory techniques—reaction mechanisms, NMR, UV/vis, band structures, XPS, and organometallic chemistry.Regularly updated online tutorials complement the material, providing project-based, real-world training. By bridging theory and practice, this guide serves mid-career professionals, undergraduate and graduate students, and early-career researchers, making computational chemistry approachable and practical for all experimental chemists.Ben's free online course complimenting this book is available on GitHub: https://github.com/b...

  • Hungarian Quantum Chemistry: Part A - Early and Recent History

    • 1 Edición
    • Volumen 93
    • Inglés
    Hungarian Quantum Chemistry: Part A – Early and Recent History, Volume 93 in the Advances in Quantum Chemistry series, highlights the historical and contemporary contributions of scientists to the field of molecular electronic structure theory. Chapters in this new release include Pioneering attempts in Hungary on treating quantum systems, The Early History of Hungarian Quantum Chemistry: From Physics to Applications in Chemistry and Biology, Contributions of Edward Teller to Molecular Quantum Theory, Quantum Chemistry at the Eötvös Loránd University (Budapest) between 1962 and 1982, and Gödel’s argument, human intelligence and the electronic structure of the substrates of life - the legacy of Janos Ladik.Additional chapters cover István Mayer — chemical concepts in quantum chemistry, János Ángyán, a European Career, Weaving the Fabric of Quantum Chemistry: Hungarians’ Contributions at Home and Abroad, Fifty-five Years of Quantum Chemistry, Kállay Laboratory, Molecular Quantum electro-Dynamics Research Group in Budapest, and The Szalay Group at ELTE.

  • Chemistry and Applications of Metal-Organic Framework (MOFs)

    • 1 Edición
    • Claudio Pettinari
    • Inglés
    Chemistry and Applications of Metal-Organic Framework (MOFs) explores the realm of metal-organic framework (MOFs) with comprehensive coverage of this intriguing class of crystalline porous solids.The book investigates the interdisciplinary world where inorganic chemistry, environmental chemistry, physical chemistry, and materials science converge. It examines the synthesis methodologies, distinctive characteristics, and wide-ranging applications of MOFs, from drug delivery to energy and sensors. This comprehensive guide evaluates the structure/reactivity... relationships and underscores the potential of MOFs in various fields.

  • Practical Heterocyclic Chemistry

    A Lab Manual for Syntheses of Heterocycles
    • 1 Edición
    • Vaidhyanathan Balasubramaniyan
    • Inglés
    Practical Heterocyclic Chemistry: A Lab Manual for Syntheses of Heterocycles delves into the entwined history of heterocyclic chemistry and general organic chemistry, tracing their evolution from crude isolation and utilization of bioactive natural products to their current, pivotal role in enhancing the quality of life for humanity and all living organisms. The book provides a concise overview of the enabling technologies and modern toolkits that facilitate complex general organic and heterocyclic syntheses, while also emphasizing the importance of safe and sustainable synthesis processes that are shaped by the game-changing principles of green chemistry.Readers are also made aware of crucial safety considerations in laboratory practice, including hazard mitigation related to starting materials, products, solvents, catalysts, and lab equipment handling. The book covers the essential laboratory skills needed for experiment design, execution, isolation, purification, and characterization, serving as a valuable resource for modern heterocyclic synthesis in academia and industry.

  • Studies in Natural Products Chemistry

    • 1 Edición
    • Volumen 87
    • Atta-ur-Rahman
    • Inglés
    Studies in Natural Products Chemistry, Volume 87 covers the synthesis or testing and recording of the medicinal properties of natural products, providing cutting-edge accounts of fascinating developments in the isolation, structure elucidation, synthesis, biosynthesis, and pharmacology of a diverse array of bioactive natural products. With the rapid developments in spectroscopic techniques and accompanying advances in high-throughput screening techniques, it has become possible to rapidly isolate and then determine the structures and biological activity of natural products, thus opening up exciting opportunities in the field of new drug development.Natural products in the plant and animal kingdom offer a huge diversity of chemical structures that are the result of biosynthetic processes that have been modulated over the millennia through genetic effects.

  • Strategic Disconnections in Retrosynthetic Analysis from Pattern Recognition

    An Applied Approach
    • 1 Edición
    • Claudio Trombini
    • Inglés
    Strategic Disconnections in Retrosynthetic Analysis from Pattern Recognition: An Applied Approach introduces retrosynthetic analysis through strategic disconnection methods. It prioritizes disconnections of general structures characterized by specific functionalization patterns or structural motifs like stereogenic centers or bicyclic frameworks. Numerous examples from carefully selected literature illustrate each strategic disconnection, organized by functional or structural pattern, selected disconnection, and polar, radical, or concerted reaction pathways. Developing a deep understanding of these examples enhances 3D visualization skills, critical reasoning, and expertise in synthetic strategies.The book offers insights into advancements in organic synthesis over the last 50 years, with cases of varying complexity from curated literature. Readers can focus on examples that align with their interests or lab work, each case referenced for easy access to primary information. It is ideal for graduate and postdoc students in organic chemistry and synthesis and researchers in industry. Advanced undergraduate students with a solid organic chemistry foundation may also find it beneficial.

  • Problem-Oriented Analytical Chemistry Driven by Chemometrics

    • 1 Edición
    • Luis Cuadros Rodríguez + 2 más
    • Inglés
    Problem-Oriented Analytical Chemistry Driven by Chemometrics covers challenges that are relevant to many fields using analytical techniques, including food quality and safety, environmental studies, product authentication, and petrochemistry using an analytical data science approach. The book's novel approach starts from case studies, allowing analytical chemists to understand how seemingly impenetrable chemometrics techniques can be applied to solve problems. It is written primarily to assist graduate and postdoc analytical chemists and early researchers, but has applicability to industry, too.Many analytical chemists dealing with complex, real-world problems face significant difficulties extracting information from their data. In many cases, solutions are available in the chemometrics arena but relevant books are usually too technical and do not always focus on the 'general perspective' needed by the analyst when facing those complex tools.

  • Organic Electrochemistry

    Fundamentals, Modern Concepts, and Methods
    • 1 Edición
    • Antonio Doménech-Carbó + 1 más
    • Inglés
    Organic Electrochemistry: Fundamentals, Modern Concepts, and Methods offers a comprehensive perspective on the essentials, methodologies, and practical applications of electrochemistry in organic chemistry. Addressing fundamental principles and applied aspects arising from the convergence of electrochemistry and organic chemistry, the book strives to deliver a broad theoretical foundation. It meticulously outlines methods and applications, catering to the interests of researchers, practitioners, and postgraduate students in these domains. With a focus on 'clean' preparative organic chemistry, sections explore the potential of electrosynthesis and elucidates the information offered by electrochemical methods, including their role in processes of biological relevance.Additional... it sheds light on the capabilities of electroanalytical techniques and underscores the importance of the electrochemistry of novel materials, such as organic-inorganic hybrids, organic polymers, and metal-organic frameworks in advancing the frontier of Organic Chemistry.

  • Organic Laboratory Experiments of the Future

    Doing Chemistry in Water
    • 1 Edición
    • Bruce H. Lipshutz + 1 más
    • Inglés
    This lab manual offers students the opportunity to learn organic chemistry through a green chemistry lens, resulting in a more sustainable, future-looking course. Lipshutz and Muchalski’s Organic Laboratory Experiments of the Future: Doing Chemistry in Water approaches the subject with experiments, diagrams, and illustrations shaped by student feedback and honed through years of research and laboratory experience.Organic Laboratory Experiments of the Future: Doing Chemistry in Water includes material on reactions run in water, including but not limited to: ppm Pd-catalyzed couplings, SNAr reactions, nitro group reductions, enzyme-catalyzed reactions, catalytic hydrogenation of olefins, olefin metathesis, reductive aminations, and chemoenzymatic sequences. This lab manual is ideal for courses in organic chemistry, biochemistry, sustainable and green chemistry, and environmentally-resp... lab courses.

  • Synthesis of Best-Seller Drugs

    • 2 Edición
    • Ruben Vardanyan + 1 más
    • Inglés
    Synthesis of Best-Seller Drugs, Second Edition provides detailed information on the most popular drugs, using a practical layout arranged according to drug type. Each chapter reviews the main drugs in each of nearly 40 key therapeutic areas, also examining their classification, novel structural features, models of action, and synthesis. Of high interest to all those who work in the captivating areas of biologically active compounds and medicinal drug synthesis, in particular medicinal chemists, biochemists, and pharmacologists, the book aims to support current research efforts, while also encouraging future developments in this important field.

  • Cyanoximes

    Chemistry, Coordination and Organometallic Compounds and their Applications
    • 1 Edición
    • Nikolay Gerasimchuk
    • Inglés
    Cyanoximes: Chemistry, Coordination and Organometallic Compounds and their Applications contains vast information about the use of cyanoximes as small molecules ligands in coordination, bioinorganic, and in organometallic chemistry. In addition, it presents the structural chemistry of these compounds and shows their most interesting spectroscopic properties, along with the practical aspects of their chemistry. Methods of syntheses, stereochemistry of cyanoximes ligands, their structures and properties, as well as the most interesting coordination compounds are described, as well as a broad spectrum of practical applications of both cyanoximes and their metal complexes.These simple, low molecular weight organic molecules represent a series of new excellent ampolydentate ligands for coordination chemistry. Currently, 48 cyanoximes are known, and users will find more than two hundreds cyanoxime complexes synthesized and studied using a variety of different spectroscopic methods and X-ray analysis.

  • Redox Catalysis for Energy and the Environment

    • 1 Edición
    • Volumen 77
    • Inglés
    Redox Catalysis for Energy and The Environment, Volume 77 in the Advances in Catalysis series highlights new advances in the field, with this volume presenting engaging chapters written by an international board of authors. Topics covered include the development of earth-abundant molecular catalysts with redox-active ligands for artificial photosynthesis, the use of porous organic materials for photocatalytic degradation of water pollutants, supramolecular systems for chemical energy conversion, and dyadic systems for water-splitting catalysis. The volume also explores innovations in artificial photosynthesis extending beyond water splitting, aimed at applications in organic synthesis.

  • Quantitative Gas Chromatography-Mass Spectrometry in the Life Sciences

    Principles and Bioanalytical Applications
    • 1 Edición
    • Dimitrios Tsikas
    • Inglés
    Quantitative Gas Chromatography-Mass Spectrometry: Principles in Life Sciences and Biochemical Applications provides an in-depth exploration of the principles and practices of GC-MS. This comprehensive guide caters to researchers, academics, and graduate students engaged in analytical chemistry, offering both theoretical knowledge and practical applications. The book is structured to introduce the fundamentals before delving into advanced techniques, ensuring a thorough understanding for all readers. The book covers essential topics such as gas chromatography-tande... mass spectrometry, liquid chromatography-tande... mass spectrometry, and the use of stable isotopes and labeled analogs. It also presents practical advice on method development, validation, and quality control.Additionally... it addresses common issues and troubleshooting in GC-MS, making it a valuable resource for those in fields like Biochemistry, Pharmacology, Forensic Medicine, and Metabolomics.

  • Advances in Physical Organic Chemistry

    • 1 Edición
    • Volumen 59
    • Inglés
    Advances in Physical Organic Chemistry, Volume 59, the latest release in this definitive resource for authoritative reviews of work in physical organic chemistry, provides a valuable source of information not only for physical organic chemists applying their expertise to both novel and traditional problems but also for non-specialists across diverse areas. The book's hallmark is in its quantitative, molecular level understanding of phenomena across a diverse range of disciplines. Sample chapters in this new release include Coacervate formation, partitioning of molecules into these phases, and artificial signal transduction systems.

  • Phosphonate Chemistry, Technology, and Applications

    Synthesis, Chemistry, and Biomedical Applications
    • 1 Edición
    • Konstantinos D. Demadis
    • Inglés
    Phosphonate Chemistry, Technology, and Applications: Synthesis, Chemistry, and Biomedical Applications gathers important up-to-date information on several modern topics, including the synthetic aspects and chemical transformations of phosphonic acids and their metal derivatives, metal phosphonate hybrid materials, optical properties of metal phosphonates, phosphonate-based systems for calcium-related disorders, metal-bisphosphonate... as controlled release systems, biology of phosphonates and a plethora of biomedical applications.This comprehensive volume is the first part of a 2-volume set. It covers extensively the latest developments in phosphonate chemistry and includes crucial bibliographic information. It explores the constantly expanding world of organic phosphonate compounds and metal phosphonate networks, beyond conventional boundaries. This exploration includes diverse applications derived from these compounds, enhancing the reader's grasp of this dynamic and evolving field.

  • Advances in Carbohydrate Chemistry and Biochemistry

    • 1 Edición
    • Volumen 88
    • Inglés
    Advances in Carbohydrate Chemistry and Biochemistry, Volume 88 in this series, highlights new advances in the field, with this new volume presenting interesting chapters written by an international board of authors.

  • Water-Stable Metal-Organic Frameworks (WSMOFs)

    • 1 Edición
    • Lei Guo + 3 más
    • Inglés
    Water-Stable Metal-Organic Frameworks (WSMOFs) presents water-stable metal-organic frameworks for mitigating environmental pollutants, i.e. sensing and degradation/removal applications to protect the ecological system, both environmental and aquatic life, from various types of toxic pollutants released from industries. The pressing challenge of extracting common pollutants, including heavy metal ions, anions, oil, and radionuclides from water sources is a critical issue due to the widespread problem of environmental contamination. Various approaches have been explored for this purpose, such as sorbents, chemical precipitation, and traditional membrane separation. However, these methods often suffer from inadequate selectivity and low pollutant uptake.Developing water-stable MOFs is the key to advancing effective water purification techniques, but the primary challenge lies in crafting MOF structures that can maintain their stability when exposed to water.

  • Fluorescence Spectroscopy in Analytical Chemistry

    A Practical Approach
    • 1 Edición
    • Suresh Kumar Kailasa + 2 más
    • Inglés
    Fluorescence Spectroscopy in Analytical Chemistry: A Practical Approach provides a comprehensive overview of the fundamental, theoretical aspects and advanced applications of fluorescence spectroscopy in analytical chemistry. The book provides basic knowledge and recent advances, enabling new users to effectively apply techniques. Readers will gain significant insights into recent developments of organic and inorganic fluorophores and their potential applications in fluorescence spectroscopy for quantitative analysis of various molecules. Sections explore the challenges and potential applications, with an emphasis on understanding the theory, detection mechanisms, and new fluorophores for molecular recognition.The book is a valuable resource, practical guide, and roadmap to fluorescence spectroscopy for all chemists, analytical scientists, academics, and researchers investigating organic and inorganic fluorophore-based sensor technology for molecular and ionic species sensing. It is also an important reference for researchers, bioanalytical chemists, and technologists working on fluorescence spectroscopy.

  • Handbook on the Physics and Chemistry of Rare Earths

    Including Actinides
    • 1 Edición
    • Volumen 68
    • Inglés
    Handbook on the Physics and Chemistry of Rare Earths: Including Actinides, Volume 68 highlights new advances in the field, with this new volume presenting interesting chapters written by an international board of authors.

  • Annual Reports on Computational Chemistry

    • 1 Edición
    • Volumen 21
    • Inglés
    Annual Reports in Computational Chemistry, Volume 21 is a comprehensive and authoritative series that provides an in-depth overview of the latest advancements and trends in the field of computational chemistry. Each volume in this series is meticulously curated by leading experts and encompasses a broad spectrum of topics, ranging from fundamental theoretical methods to cutting-edge applications in various branches of chemistry and related disciplines. Chapters in this new release include Multi-state density functional theory, Molecular simulations for environmental science, and IR spectroscopy of PAHs for astrochemistry or reactions of inorganic oxides for astrochemistry.

  • Annual Reports on NMR Spectroscopy

    • 1 Edición
    • Volumen 116
    • Inglés
    Magnetic resonance now has a history exceeding 70 years. Not only has the range of applications of magnetic resonance-based techniques grown exponentially but so too has the literature. Consequently, a distillation and synthesis of the literature is in itself an extremely important research tool, providing an efficient means to take newcomers to the research frontiers and keeping experienced researchers aware of contemporary practice. Since 1968 Annual Reports on NMR Spectroscopy been at the vanguard of reviewing the magnetic resonance literature. Annual Reports on NMR Spectroscopy covers magnetic resonance in all its forms, including theory, experiment, applications, and interconnections with other techniques. It also provides the opportunity to make coherent aspects of magnetic resonance that were scattered and opaque. Historical articles including obituaries are also welcomed.Potential authors are encouraged to consult with the Serial Editor.William S. PriceWestern Sydney University, NSW, Australiaw.price@wes...

  • Supercritical Fluid Chromatography and Extraction

    • 2 Edición
    • Caroline West + 1 más
    • Inglés
    Supercritical fluid chromatography (SFC) is a rapidly developing laboratory technique for the separation and identification of compounds in mixtures. Recent, significant improvements in instrumentation have rekindled interest in SFC and have enhanced its standing in the scientific community. Many scientists are familiar with column liquid chromatography and its potential beyond traditional liquid chromatography, yet many of its capabilities remain underappreciated. Supercritical Fluid Chromatography and Extraction explores contemporary supercritical fluid chromatography and extraction and how it should be implemented in laboratory science for analysis, isolation, and production.New to This EditionThis new edition details recent advances and applications of supercritical fluids in sample prep, instrumental analysis, and process-scale, including SFE, making it a comprehensive resource for both techniques. Further enhancements to this edition include:Expanded section on SFC theory to include gradient elutionA new chapter on general detectors for SFCEnhanced method development coverage, with focus on gradient elution practicesIncludes multidimensional SFC, SFC × SFC, and LC-SFCFeatures comprehensive information on accelerated solvents, comparing solvent and extraction techniques.Highlight... environmental monitoring and analysis applications of SFE.Widely used in the food industry for decades, SFE is now expanding into new fields. Supercritical Fluid Chromatography and Extraction, Second Edition serves as a valuable resource for chemical engineers, chemists, researchers, students, and academics working with supercritical fluids at preparative and process scales. It’s also an ideal introduction for newcomers to SFC and SFE.

  • Catalytic Heterogeneous and Homogeneous Methods in Flow Chemistry: Part A

    • 1 Edición
    • Volumen 76
    • Inglés
    Catalytic Heterogeneous and Homogeneous Methods in Flow Chemistry: Part A, Volume 76 in the Advances in Catalysis series, highlights new advances in the field, with this new volume presenting interesting chapters written by an international board of authors. Topics covered include an Introduction to flow chemistry and reactor applications, Last advances in homogeneous catalysis under continuous flow: unlocking synthetic opportunities and novel technologies, Heterogeneous catalysis in continuous flow (metal and organocatalysis), Novel methods of catalytic activation (photo-, electro-chemistry, etc.), and Technological innovations for continuous flow catalysis.

  • Advances in Inorganic Chemistry

    • 1 Edición
    • Volumen 86
    • Inglés
    Advances in Inorganic Chemistry, Volume 86 in this highly regarded series, highlights advances in the field, with this new volume presenting chapters written by an international board of authors. This acclaimed serial features reviews written by experts in the field and serves as an indispensable reference to advanced researchers. Each volume contains an index, and each chapter is fully referenced.

  • Phytochemical Analysis by Modern Techniques

    Recent Trends and Future Perspectives
    • 1 Edición
    • Deepak Kasote + 3 más
    • Inglés
    Phytochemical Analysis by Modern Techniques: Recent Trends and Future Perspectives offers cutting-edge qualitative and quantitative methods. Beginning with an overview of conventional and modern extraction strategies used in phytochemical analysis, the book builds upon this knowledge by outlining state-of-the art modern techniques including vibrational spectroscopy and hyphenated HPLC-MS. The book emphasizes detailed, reproducible methods and real-world case studies, making the techniques accessible to readers from neighboring scientific fields. In addition to extraction strategies and modern techniques, the book covers metabolomics and diverse analytical tools to enhance holistic understanding of phytochemical analysis. It is an ideal resource for researchers, students, and professionals in analytical chemistry, pharmacognosy, phytochemistry, natural product research, ethnopharmacology, and food chemistry.

  • Computational Methods for the Multiscale Modeling of Soft Matter

    • 1 Edición
    • Paola Carbone + 1 más
    • Inglés
    This book provides a concise description of a variety of simulation methods to model soft matter with a particular focus on polymeric systems. Along with the fundamental concepts of the theory behind the methods, a comprehensive set of examples taken from the broad pool of soft materials is included. These exemplify how, thanks to the increased computational resources nowadays available to almost any research group, computational methods have become a powerful tool to sit alongside other experimental characterizations and show their increasing relevance for the manufacturing sector. Chapters illustrate how modeling techniques can be used to aid interpretation of experimental data, and how experiments can be used to parameterize models.Bringing together all these modeling approaches and applications into one coherent volume, Computational Methods for the Multiscale Modeling of Soft Matter provides a one-stop resource that is written primarily for postgraduate students and researchers in materials science, computational physics, and chemists and chemical engineers interested in learning about simulation methods for soft materials such as polymers, surfactants, and colloids.This is the first volume to publish in Elsevier's Methods in Molecular and Materials Modelling book series, curated by Sir Richard Catlow.

  • Metal Organic Frameworks for Energy and Environmental Applications

    • 1 Edición
    • Hongyi Gao + 1 más
    • Inglés
    Metal Organic Frameworks for Energy and Environmental Applications presents a comprehensive overview on the application of metal organic frameworks (MOFs) to energy and environmental areas. MOFs are a promising class of materials due to their tunable structures, high surface area, and versatile functionalities, and are capturing the attention of the global scientific community due to their intersection with environmental concerns. Chapters summarize recent research on MOFS and synthesis strategies for catalysis, including photocatalysis, electrocatalysis, and thermal catalysis, and how MOFs offer enhanced performance, selectivity, and efficiency.Additiona... the vital role MOFs play in energy storage, environmental purification, including degradation of harmful agents, and resource utilization is explored. The book also presents new research on machine learning and data mining, including how researchers can leverage datasets and algorithms to discover new, high-performance MOFs. Metal Organic Frameworks for Energy and Environmental Applications will be a valuable reference for those studying and working in the field of MOFs as they apply to energy, environmental technologies, catalysis, and materials science.

  • Progress in Heterocyclic Chemistry

    • 1 Edición
    • Volumen 37
    • R. Alan Aitken + 1 más
    • Inglés
    Progress in Heterocyclic Chemistry, Volume 37 is the latest in this annual review series commissioned by the International Society of Heterocyclic Chemistry (ISHC). Volumes in the series contain both highlights of the previous year’s literature on heterocyclic chemistry and articles on new developing topics of particular interest to heterocyclic chemists. Chapters are all written by leading researchers in their field, brining a systematic survey of the important original material reported in the literature of heterocyclic chemistry in 2024.As with previous volumes in the series, this new release enables academic and industrial chemists and advanced students to keep abreast of developments in heterocyclic chemistry in a convenient way.

  • Machine Learning in Drug Development: Part 2

    • 1 Edición
    • Volumen 65
    • Inglés
    Machine Learning in Drug Development: Part Two, Volume 65 in the Annual Reports on Medicinal 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 volume explore Transforming Modern Drug Discovery with Machine Learning – Applications in Ligand-based Drug Design, Optimizing Multi-Modal Drug Design Through Computational Pocket Mapping and Data Integration, Harnessing AI for Nucleic Acid Drug Discovery: Small Molecule Targeting DNA and RNA, AI-aided Drug Development for Protein Degraders: Design, Lead Identification, and Optimization, and more.Additional section delve into Artificial Intelligence in the Development of Antiviral Drugs – Progress and Applications, Artificial Intelligence for Drug Target Identification, and Machine Learning in Proteomic Biomarker Discovery

  • Chalcones and their Derivatives

    From Synthesis to Applications
    • 1 Edición
    • Mohmmad Younus Wani + 3 más
    • Inglés
    Chalcone is a highly versatile scaffold with a broad range of applications. Serving as a precursor for various organic molecules and natural flavonoids, it exhibits significant biological activities and unique physical properties, including semiconductor behavior, non-linear optical effects, fluorescence, and electronic characteristics. Chalcones have attracted considerable research interest due to their pharmacological potential and the ease with which their biological activity and other properties can be modified through subtle structural changes along the α,β-unsaturated backbone. Beyond their medicinal value, chalcones are utilized in the food and cosmetic industries as additives, owing to their UV-protective qualities. Additionally, they serve as chemosensors and probes in analytical applications. The book Chalcones and Their Derivatives: From Synthesis to Applications explores this remarkable molecule, detailing various synthetic methods, its biological significance, and its diverse applications across multiple fields. Serving as both a comprehensive reference for researchers and an essential guide for postgraduate students, this work provides valuable insights into the development and utilization of chalcone-based molecules for a wide array of purposes.

  • Density Functional Theory

    Current Trends and Applications
    • 1 Edición
    • Volumen 25
    • Aleksey E. Kuznetsov
    • Inglés
    Density Functional Theory: Current Trends and Applications first examines the foundational knowledge surrounding DFT, examining some of its key concepts, such as the Thomas–Fermi model and the Hohenberg–Kohn–Sham theory; looking at the wealth of exchange–correlation functionals; and the advantages and disadvantages of DFT compared to the MO (molecular orbital ) theory and other methods, before exploring the areas of future DFT development. The second section then examines the practical methods and approaches for DFT, looking at the types of density functionals, such as LSDA (local spin-density approximation), GGA (generalized gradient approximation), and meta-GGA functionals; hybrid functionals; DFTB (density functional tight binding) methods; dispersion-corrected functionals; time-dependent DFT; and the plane-wave approach. It also looks at the relationships between DFT and ab initio molecular dynamics and the QM/MM (quantum mechanics/molecular mechanics) approach.This book is designed for graduate- and postgraduate-level students and postdoctoral researchers principally studying computational and physical chemistry, who want to obtain an up-to-date overview and understanding of density functional and its applications.

  • Progress in Medicinal Chemistry

    • 1 Edición
    • Volumen 64
    • Inglés
    Progress in Medicinal Chemistry, Volume 64 highlights new advances in the field, with this new volume presenting interesting chapters written by an international board of authors.

  • Advances in Organometallic Chemistry

    • 1 Edición
    • Volumen 84
    • Inglés
    Advances in Organometallic Chemistry, Volume 84, the latest release in this longstanding serial, is known for its comprehensive coverage of topics in organometallic synthesis, reactions, mechanisms, homogeneous catalysis, and more. Sample chapter titles in this new release include Grignard-type Reactions for the Synthesis of Calcium-Based Organometallics, Alkylidyne-alkylidyn... coupling reactions and related chemical transformations at a multimetallic site, and Heterocyclic Organogermanium Derivatives, and much more.

  • Molecular Orbital Theory and Frontier Orbitals for Organic Chemistry

    A Practical Guide
    • 1 Edición
    • Dipak Kumar Mandal
    • Inglés
    Molecular Orbital Theory and Frontier Orbitals for Organic Chemistry: A Practical Guide is a crucial text for students of organic chemistry. This book provides simple, yet quantifiable explanations based on molecular orbital-based reasoning. It seeks to deepen the reader's understanding of long-standing concepts in MO theory, while also formulating new ones through perturbation molecular orbital theory. Written for undergraduates, graduates, and researchers, the book includes many problems with detailed solutions, allowing readers to test their knowledge as they progress through each chapter.The book emphasizes a practical and pedagogical approach, perfected through the authors' extensive teaching experience. It is ideal for those wishing to gain a thorough understanding of molecular orbital theory, from students to seasoned chemists. The text aims to be distinct in its methodology, making it accessible to a wide audience. The inclusion of in-chapter problems helps reinforce learning, ensuring that readers can immediately apply what they have learned. This book serves as an indispensable resource for anyone seeking to master this fundamental aspect of organic chemistry.

  • Machine Learning in Drug Development: Part 1

    • 1 Edición
    • Volumen 64
    • Inglés
    Machine Learning in Drug Development: Part One, Volume 64 in the Annual Reports on Medicinal Chemistry series, highlights new advances in the field. Chapters in this release include Artificial Intelligence in Small Molecule and Nucleic Acid Research: A Review, AI-aided Drug Development for Protein Degraders: Design, Lead Identification, and Optimization, AI-aided Drug Development for Protein Degraders: Biology Validation, Disease-association, Drug Repurposing, Transforming Modern Drug Discovery with Machine Learning, Artificial Intelligence in the Development of Antiviral Drugs: Progress and Applications, Artificial Intelligence for Drug Target Identification, and Machine Learning in Proteomic Biomarker Discovery.

  • Drug Discovery Stories, Volume 2

    • 1 Edición
    • Bin Yu + 1 más
    • Inglés
    Drug Discovery Stories, Volume Two showcases the discovery journeys of recent blockbuster drugs approved between 2023 and 2024, along with promising drug candidates. This book delves into structural biology, biological functions of targets, hit compound identification, hit-to-lead optimization, binding modes, key biological and pharmacokinetic data, and clinical results. It also covers other candidate compounds against the same targets and includes additional content based on the authors' choices. The series addresses the rapid evolution in drug discovery and development, appealing to those in chemical biology, synthetic chemistry, and pharmacology.By highlighting interdisciplinary collaboration, the authors plan to release updated editions every few years to ensure the content reflects the latest achievements and breakthroughs in the field.

  • Canonical Approaches to Interatomic Interactions

    Theory and Applications
    • 1 Edición
    • Luis A. Rivera-Rivera + 1 más
    • Inglés
    Typical pathways for modelling interatomic interactions involve the plotting of potential energy against radial displacement, but such approaches can be computationally costly. Canonical Approaches to Interatomic Interactions: Theory and Applications provides an overview of the field and presents a replicable, novel force-based approach that demonstrates accurate and quantitative interrelations between weakly bound and strong covalently bound intermolecular interactions.Beginni... with an introduction to Potential Energy Surfaces (PES) and modern approaches in Part 1, Part 2 goes on to describe Canonical Approaches in detail, including methodologies and data to allow replication. Part 3 then goes on to outline some key applications, before future directions are discussed in Part 4.Sharing the insight of its progressive authors, Canonical Approaches to Interatomic Interactions: Theory and Applications is an informative guide for all those working with interatomic interactions and PES, including researchers in in chemical kinetics and bonding, molecular mechanics, quantum chemistry and molecular modelling.

  • Studies in Natural Products Chemistry Vol 87

    • 1 Edición
    • Atta-ur-Rahman
    • Inglés
    Natural products in the plant and animal kingdom offer a huge diversity of chemical structures that are the result of biosynthetic processes that have been modulated over the millennia through genetic effects. With the rapid developments in spectroscopic techniques and accompanying advances in high-throughput screening techniques, it has become possible to isolate and then determine the structures and biological activity of natural products rapidly, thus opening up exciting opportunities in the field of new drug development to the pharmaceutical industry. Studies in Natural Products Chemistry covers the synthesis or testing and recording of the medicinal properties of natural products, providing cutting edge accounts of the fascinating developments in the isolation, structure elucidation, synthesis, biosynthesis and pharmacology of a diverse array of bioactive natural products.

  • A Snapshot of Molecular Electronic Structure Theory and its Applications

    • 1 Edición
    • Volumen 92
    • Inglés
    A Snapshot of Molecular Electronic Structure Theory and its Applications, Volume 92 in the Advances in Quantum Chemistry series, highlights new advances in the field, with this new volume presenting interesting chapters on topics such as Polynomial expression of variable precision of molecular integrals for orbital exponents and atomic distances over STO, A first step towards the development of exchange-correlation functionals from X-ray diffraction data, Quantum Mechanical Insights into the Properties of Graphene-like Zinc Oxide (g-ZnO), Theoretical study of structural aspects and interactions between Ederavone and Cucurbit(7)uril, Time dependent potential models for atomic spectroscopy in atmospheric plasmas, and much more.Additional chapters cover Anionic resonances of Mg and Ca from an electron propagator based on a multiconfigurational reference state and a complex absorbing potential, Massively Lockstep-Parallel Algorithms for Full-Isomerspace Geometry Optimization, A Comprehensive Investigation of the Dirac-like Equation. A case study hydrogen-like atomic and molecular systems, Many-Body Expansion of systems from Hydrogen bonded systems to Light Nuclear Systems, and more.

  • Theoretical and Physical Chemistry of Triel Bonding

    Properties, Mechanisms, and Catalysis
    • 1 Edición
    • Volumen 24
    • Sławomir Janusz Grabowski
    • Inglés
    Theoretical and Physical Chemistry of Triel Bonding: Properties, Mechanisms, and Catalysis explores triel and their compounds, providing a detailed analysis of their molecular and electronic structures, areas often disputed and controversial. It offers a comprehensive description and explanation, emphasizing the unique differences between boron and heavier triel atoms. Key sections cover theoretical foundations, types of interactions, and examples of triel bonds and their characteristics. Additionally, the book highlights triel elements functioning as catalysts and boron compounds in hydrogen storage. Designed for advanced students and researchers in physical or theoretical/computat... chemistry, it will also interest organic and inorganic chemists.Compounds of boron and other triel centres have been the subject of numerous studies for a long time, with their properties well-known and frequently discussed. However, the more detailed characteristics of triel compounds have not been well analyzed in existing research and their molecular and electronic structures have often been the subject of dispute and controversy. Triel bonds as a thematic area have garnered significant interest in recent years and this book provides a much broader description and explanation of their properties and characteristics than has previously been available, discussing aspects which are unique to triel bonds such as the differences between boron and the heavier triel atoms.

  • Main Group Chemistry

    • 1 Edición
    • Volumen 85
    • Inglés
    Main Group Chemistry, Volume 85 in the Advances in Inorganic Chemistry series, highlights advances in the field, with this new volume presenting chapters written by an international board of authors.

  • Studies in Natural Products Chemistry

    • 1 Edición
    • Volumen 86
    • Atta-ur-Rahman
    • Inglés
    Studies in Natural Products Chemistry, Volume 86 is a comprehensive work that delves into the synthesis, evaluation, and documentation of the medicinal properties found in natural products. The book highlights innovative progress in the discovery, isolation, and analysis of bioactive compounds from both the plant and animal kingdoms. These compounds stem from complex biosynthetic processes shaped over thousands of years by genetic influences. Thanks to breakthroughs in spectroscopic and high-throughput screening techniques, researchers can now quickly identify and assess the structure and biological activity of natural products, opening the door to new pharmaceutical developments.In addition to focusing on isolation and structural analysis, the book explores cutting-edge methods in synthesis, biosynthesis, and pharmacology. It provides readers with up-to-date accounts of advances that fuel new drug discovery and development, making it an essential reference for scientists and professionals in medicinal chemistry, pharmacology, and drug design. The vast chemical diversity covered sets the stage for future innovations in therapeutic research and application.

  • Annual Reports on NMR Spectroscopy

    • 1 Edición
    • Volumen 115
    • Inglés
    Annual Reports on NMR Spectroscopy series, highlights new advances in the field, with this new volume presenting interesting chapters. Each chapter is written by an international board of authors.Magnetic resonance now has a history exceeding 70 years. Not only has the range of applications of magnetic resonance-based techniques grown exponentially but so too has the literature. Consequently, a distillation and synthesis of the literature is in itself an extremely important research tool, providing an efficient means to take newcomers to the research frontiers and keeping experienced researchers aware of contemporary practice. Since 1968 Annual Reports on NMR Spectroscopy been at the vanguard of reviewing the magnetic resonance literature. Annual Reports on NMR Spectroscopy covers magnetic resonance in all its forms, including theory, experiment, applications, and interconnections with other techniques. It also provides the opportunity to make coherent aspects of magnetic resonance that were scattered and opaque. Historical articles including obituaries are also welcomed.Potential authors are encouraged to consult with the Serial Editor.William S. PriceWestern Sydney University, NSW, Australiaw.price@wes...

  • Aziridine Synthesis

    • 1 Edición
    • Navjeet Kaur
    • Inglés
    Aziridine Synthesis delves into the intricate world of aziridine chemistry, offering an in-depth exploration of its diverse methods and applications. This field plays a pivotal role in modern organic and medicinal chemistry, providing invaluable routes for constructing complex molecular architectures. The text emphasizes the versatility and reactivity of aziridines, demonstrating their utility in synthesizing pharmaceuticals and bioactive compounds. By bridging traditional approaches with cutting-edge advancements, the book serves as a comprehensive guide for researchers looking to harness the potential of aziridines in innovative ways.Beyond its focus on methodology, the book also highlights key challenges and breakthroughs in aziridine research. It examines the environmental implications of synthesis techniques, the scalability of reactions for industrial applications, and strategies for harnessing aziridines in drug discovery.

  • Fundamental Coordination Ability of s-Block Metal Ions

    New Aspects and Its Role in Solution Reactions
    • 1 Edición
    • Masashi Hojo
    • Inglés
    Fundamental Coordination Ability of s-Block Metal Ions: New Aspects and Its Role in Solution Reactions delves into the intricate reaction chemistry and coordination chemistry of s-block metal ions in various solutions. This book explores the crystallization and subsequent re-dissolution of s-block metal compounds from solutions, as well as their structures and the biochemistry of these ions in living organisms. By examining the complex formation of s-block metal ions with crown ethers, the book highlights the significant advancements in host-guest chemistry involving s-block metal ions. Additionally, it discusses recent synthesization of lighter metal coordination polymers, and more.The complex formation of s-block metal ions with crown ethers was discovered by C. J. Pedersen in 1967, and since then, host-guest chemistry of s-block metal ions have been highly developed. In recent years, many lighter metal coordination polymers have been synthesized actively. In this book, some “salt effects” or abnormal phenomena are accounted for in terms of coordination interaction with s-block metal ions in solution. The mechanism of enhanced oxidation ability of dilute nitric acid is discussed and the dissolution of pure gold in seawater with nitric acid is demonstrated. This important reference book will be useful to inorganic chemists, specifically those working in solution chemistry, main group metal chemistry and supramolecular chemistry, both in industry and academia.

  • Advances in Heterocyclic Chemistry

    • 1 Edición
    • Volumen 147
    • Inglés
    Advances in Heterocyclic Chemistry, Volume 147 in this ongoing series, highlights new advances in the field, with this new volume presenting interesting chapters written by an international board of authors. New chapters in this release include Synthesis and chemistry of pyridazin-3(2H)-ones... Denitrogenative Transformations of Polynitrogen Heterocycles, Pyridinium-phenolate Dyes: Preparation and Properties, Recent Advances in the Mechanochemical Synthesis and Derivatization of Heterocycles, Recent Advances in the Synthesis of 7- and 8- Membered Heterocycles via Domino and Multicomponent Reactions (from 20?-2024), and Total Synthesis of Natural Products with Isoflavone Skeletons and Other Heterocycles.

  • Handbook on the Physics and Chemistry of Rare Earths

    Including Actinides
    • 1 Edición
    • Volumen 67
    • Inglés
    Handbook on the Physics and Chemistry of Rare Earths: Including Actinides, Volume 67 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 Emerging trends in the design and potential applications of luminescent lanthanide coordination complexes for photodynamic therapy, Deciphering crystal field splitting of lanthanide ions using magnetism, luminescence and ab initio calculations: a friendly discussion between van Vleck and Boltzmann, The Heavy Rare Earths' Supply Chain, and more.

  • Comprehensive Organic Synthesis

    • 3 Edición
    • Paul Knochel + 1 más
    • Inglés
    Comprehensive Organic Synthesis, Third Edition, Eleven Volume Set builds upon the highly respected previous editions, including the 2nd edition which won the 2015 PROSE Award for Multivolume Reference/Science from the Association of American Publishers. This new edition continues to draw together the common themes that underlie the many disparate areas of organic chemistry, supporting effective and efficient synthetic strategies. With around 200 advanced chapters, it offers a comprehensive overview of this important discipline, making it essential for both experienced practitioners and those new to organic synthesis.This fully revised and updated edition provides an authoritative overview of core concepts, serving as a valuable resource for synthetic chemists requiring essential facts in new areas and students completely new to the field. The work remains an invaluable source for anyone seeking information on solving synthetic problems, ensuring it continues to be an essential reference work for all in the field of organic chemistry.

  • Drug Discovery and One Health Approach in Combating Infectious Diseases

    A Multi-sectoral Approach to address Infections
    • 1 Edición
    • Kanti Bhooshan Pandey + 2 más
    • Inglés
    Drug Discovery and One Health Approach in Combating Infectious Diseases: A Multi-sectoral Approach to address Infections explores the intersection of drug discovery and the One Health Approach, along with the effectiveness of interdisciplinary approaches to combating infectious diseases. The book covers both holistic and innovative drug discovery methodologies and technologies such as natural compounds, harnessing genomics, proteomics, and nanotechnology. Additionally, the book reviews zoonotic diseases, vaccine development, ethical considerations, and regulatory pathways. Practice case studies demonstrate successful One Health and interdisciplinary initiatives to combating infectious disease.This catalogue of knowledge provides a toolbox of innovative and interdisciplinary solutions of complex issues in drug discovery and infectious disease. It will be a valuable resource to professionals and researchers working in the fields of biomedical sciences, pharmaceutical sciences, infectious disease research, and public health, as well as those engaged in drug discovery, development, and the management of infectious diseases.

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