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Computational Phytochemistry, Second Edition, explores how recent advances in computational techniques and methods have been embraced by phytochemical researchers to enhance many of their operations, refocusing and expanding the possibilities of phytochemical studies. By applying computational aids and mathematical models to extraction, isolation, structure determination, and bioactivity testing, researchers can obtain highly detailed information about phytochemicals and optimize working approaches. This book aims to support and encourage researchers currently working with or looking to incorporate computational methods into their phytochemical work. Topics in this book include computational methods for predicting medicinal properties, optimizing extraction, isolating plant secondary metabolites, and building dereplicated phytochemical libraries. The roles of high-throughput screening, spectral data for structural prediction, plant metabolomics, and biosynthesis are all reviewed before the application of computational aids for assessing bioactivities and virtual screening is discussed. Illustrated with detailed figures and supported by practical examples, this book is an indispensable guide for all those involved with the identification, extraction, and application of active agents from natural products. This new edition captures remarkable advancements in mathematical modeling and computational methods that have been incorporated in phytochemical research, addressing, e.g., extraction, isolation, structure determination, and bioactivity testing of phytochemicals.
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.
Essential oils are simply the volatile oils of plants. These are concentrated liquids contain many terpenes, alkaloids and alcohols etc. Various compounds of essential oils have bioactive properties such as antimicrobial, anti-cancer, anti-diabetic, anti-viral and anti-fungal etc. This book describes the sources of essential oils, extraction and production method, characterizing tools, bioactivity, and various applications in the field of industries, daily usage, agriculture, health, and food.
This textbook describes the theory underlying each instrumental procedure and applications of all instrumental methods. It comprehensively covers the instrumental methods of chemical analysis, chromatography, thermal methods of chemical analysis, electrochemical methods, and instrumental methods of analysis of inorganic compounds. These include thermogravimetric analysis, differential thermal analysis, thermometric titrations, and some miscellaneous thermal methods like derivative thermogravimetric analysis, thermobarography, differential scanning calorimetry, thermomechanical analysis, and electric thermal analysis, flame photometry, fluorimetry and phosphorimetry, nephelometric and turbidimetric techniques, refractory and interferometry, and X-ray methods. Each chapter consists a set of problems to aid self-learning. This textbook is highly useful for graduate and postgraduate students on chemistry and its allied fields. It can also be used as a quick reference material byprofessionals working in the various fields of chemistry and material science.
The present volume is the third in a trilogy that documents naturally occurring organohalogen compounds, bringing the total number ¿ from fewer than 25 in 1968 ¿ to approximately 8,000 compounds to date. Nearly all of these natural products contain chlorine or bromine, with a few containing iodine and, fewer still, fluorine. Produced by ubiquitous marine (algae, sponges, corals, bryozoa, nudibranchs, fungi, bacteria) and terrestrial organisms (plants, fungi, bacteria, insects, higher animals) and universal abiotic processes (volcanos, forest fires, geothermal events), organohalogens pervade the global ecosystem. Newly identified extraterrestrial sources are also documented. In addition to chemical structures, biological activity, biohalogenation, biodegradation, natural function, and future outlook are presented.
This book is an introductory text for graduate students, researchers in industries, and those who are just beginning to work on organic electronics materials, devices and their applications. The book includes mainly fundamental principles and theories for understanding organic electronics materials and devices, but also provides information about state-of-the-art technologies, applications and future prospects. These topics encompass physics for organic transistors, structure control technologies of polymer semiconductors, nanomaterials electronics, organic solar cells, organic electroluminescence and dynamics for excitation, among others. In this second edition, the topics that have had particular progress in the field of organic electronics over the past seven years were added. For example, Thermally Activated Delayed Fluorescence (TADF) technology for organic LED, the development of perovskite materials, light-emitting materials using nanomaterials and the development of skin sensors and wearable/embedded devices. The recent scientific understanding of organic electronics is also introduced. This book will help readers to be able to contribute to society with the technologies and science of organic electronics materials in the future.
This book is a concise overview of modern approaches to N-alkylation and N-arylation of primary, secondary and tertiary amines using alkylating and arylating reagents with amino sources found in both basic and applied chemical research.
This book discusses some of the reduction agents and processes involved in organic synthesis such as catalytic hydrogenation, homogeneous catalytic hydrogenation, asymmetric catalytic hydrogenations, hydride transfer reagents, dissolving metal reductions, and non-metallic reducing agents. It further covers the topics of photochemical reductions, enzymatic or microbial reduction, reductions of specific type of organic compounds including hydrocarbons, hydrogenolysis, enzymatic or microbial reduction, and some reductions under benign condition. This book is of immense use to undergraduate and postgraduate students of organic chemistry. It is also a useful reference book for researchers involved in organic synthesis.
The textbook is intended for the undergraduate and postgraduate students of chemistry, biology and medicine. It covers diverse topics of biophysical chemistry ranging from the structure of cells, lipids, and proteins to nonequilibrium thermodynamics, enzyme catalysis, and fast reaction kinetics. The book discusses the fundamental structural concepts in the first part and provides a systematic account of different experimental techniques such as chromatography, electrophoresis, and gel filtration that are extensively employed in biochemical research in the second part. It also includes typical applications using NMR, ESR, and SPR to comprehend the power of spectroscopic tools in biophysical chemistry. This textbook also deals with advanced topics of entropy production and biosensors. It consists of a large number of schematic diagrams as well as tabular compilations of kinetic, electrochemical, and thermochemical data. It includes multiple-choice questions, numerical examples, and descriptive questions in various chapters to aid self-learning among students. In view of the diverse coverage of topics, this textbook is a valuable asset to undergraduate and postgraduate students. It is also a useful reference for researchers and professionals in chemistry, biology, and medicine.
This book covers the biology of quorum sensing and quenching, potential sources of QQ enzymes and other inhibitors, as well as an overview of their mechanism and potential biotech applications.
Green Fire Retardants for Polymeric Materials looks at the choice of materials and treatments for improving fire retardancy as well as green approaches to synthesising these fire retardants.
In the mid- to late-twentieth century, large scientific conflicts flared in two seemingly distinct fields of scientific inquiry. In bioenergetics, which examines how organisms obtain and utilize energy, the chemiosmotic hypothesis of Mitchell suggested a novel mechanism for energy conversion. In evolutionary biology, meanwhile, Wynne Edwards strongly articulated the view that organisms may act for the "e;good of the group."e; This work crystalized a long history of imprecise thinking about the evolution of cooperation. While both controversies have received ample attention, no one has ever suggested that one might inform the other, i.e., that energy metabolism in general and chemiosmosis in particular might be relevant to the evolution of cooperation. The central idea is nevertheless remarkably simple. Chemiosmosis rapidly converts energy, and once storage capacity is exceeded, an overabundance of product has various negative consequences. While to some extent chemiosmotic processes can be modulated, under certain circumstances it is also possible to simply disperse the products into the environment.This book argues that these two heretofore distinct scientific disciplines are connected, thereby suggesting that a ubiquitous process of energy conversion may underlie the evolution of cooperation and link major transitions in the history of life that have been regarded as mechanistically unrelated.
This handbook covers the medicinal and chemical properties of Ayurvedic medicines, the plants that produce them and the currently known organic compounds that occur therein. It provides therapeutic attributes of each plant as well as indicates its potential for use as modern herbal or molecular drug. It combines the works of Ayurvedic folk medicine with modern pharmacology, botany, and chemistry in a singularly effective way. It also provides a useful standardization of classical Ayurvedic formulations. Consisting of numerous photographs of medicinal plants, this handbook will serve as an excellent reference work for chemists, botanists, pharmacists, and medical professionals.
This reference work provides a comprehensive overview of bioactive compounds investigated in bryophytes and pteridophytes and explores their nutritional, biological, pharmacological and ecological effects. Bryophytes are cosmopolitan lower plants that are rich in phytochemicals including fatty acids, tocopherols, phenolics, terpenoids. Additionally, these plants contain bibenzyls, bis-benzyls, and polyketides which have been demonstrated to have antimicrobial, anti-inflammatory, and cytotoxic activities. Pteridophytes are another group of lower vascular plants which were reported to have useful secondary compounds such as flavonoids, steroids, phenolics, terpenoids, and these plants impart medicinal values including antioxidant, antimicrobial, anti-inflammatory, anti-tumor, and anti-HIV activities.This book contains comprehensive contributions compiled by expert scientists and researchers in this field.The book offers a useful resource for plant biotechnologists, plant biologists, pharmacologists, pharmacists, food technologists, nutritionists, research investigators of the healthcare industry, academia, faculty, and students of biology and biomedical sciences. It also provides a strategic framework for further research and development activities of bryophytes and pteridophytes of the world.
Synthesis of Aziridines and Oxaziridines from Imines describes both new and old methods for the synthesis of aziridines from imines and covers an important and rapidly growing branch of heterocyclic chemistry. Readers will have access to different methods and information allowing them to evaluate which method is most suitable for particular cases. Several important advances in this area have been witnessed in recent years and discovering efficient novel methods for the synthesis of aziridines has been very active field of research. Its powerful synthetic utility has been described by an overpowering amount of documentation on the approaches for the formation of aziridine. The smallest possible saturated azaheterocycle, aziridine, is well-known to organic chemists for its tremendous potential in pharmaceutical chemistry and organic synthesis. The general biological importance of aziridines is proven by the fact that they found several uses as subunits in pharmacologically active compounds such as antitumor agents, enzyme inhibitors, and antibiotics. Although aziridines are highly reactive, this framework occurs in many synthetic compounds and the natural products of biological interest also contain aziridine skeleton in their structures.
Sustainable and Green Approaches in Medicinal Chemistry: Applications, Second Edition reveals essential context on the growth of green chemistry in relation to drug discovery, identifying a broad range of practical techniques and useful insights and revealing how medicinal chemistry techniques can be used to improve efficiency, mitigate failure, and increase the environmental benignity of the entire drug discovery process. The book encourages the growth of green medicinal chemistry and supports medicinal chemists, drug discovery researchers, pharmacologists, and all those in related fields across both academia and industry in integrating these approaches into their own work. This volume includes the development of nanoparticles and nanocomposites, as well as the application of ultrasound and microwave-induced methods; studies solventless synthesis; defines the role of steroids; studies reactions in aqueous solution; identifies enzyme-mediated reactions; investigates ionic liquids and deep eutectic solvents; explores natural products; investigates solid supports; realizes the effects of salts; focuses on combinatorial chemistry; develops one-pot methods; analyzes multi-component reactions; investigates dipole moment values; and examines computer-assisted methods.
This volume presents recent progress on 3d base metal catalyzed C-C cross coupling reactions. The contributions provide detailed discussions on the use of cheap metal catalysts such as Cr, Mn, Fe, Co, Ni, Cu, and Zn to construct Csp2-Csp2, Csp2-Csp3 and Csp3-Csp3 bonds with a variety of substrates. These non-noble metal catalyst have many advantages such as being inexpensive, having low toxicity and are environmentally benign. Therefore the use of cheap metal catalysts in organic synthesis has gained much attention in efforts to develop more sustainable synthetic green chemistry. Each chapter is written by international experts in the field and is a great resource for students, researchers and chemists working in industry to gain an overview on the latest developments.
This volume presents recent advances and current knowledge in the field of supramolecular assemblies based on electrostatic interactions. The flexibility and simplicity of constructing assemblies is explained via several examples, illustrations, figures, case studies, and historical perspectives. Moreover, as there is an increasing demand for the use of theoretical and computational models of the interaction strengths for assisting with the experimental studies, one chapter specifically focuses on the "e;modelling'' of supramolecular assemblies. Finally, various aspects of the recent advances of the field as well as potential future opportunities are discussed, with the goal being to stimulate critical discussions among the community and to encourage further discovery. This volume aims to inspire and guide fellow scientists and students working in this field and thus it provides a great tool for all researchers, graduates and professionals specializing on the topic.
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