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Elsevier

Libros en Química

  • 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.

  • 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.

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