зарубежная образовательная литература (страница 86)

Автор: Stanislaw Kielich

The Advances in Chemical Physics series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics.

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Автор: Ilya Prigogine

Significant advances have occurred in the field since the previous edition, including advances in light squeezing, single photon optics, phase conjugation, and laser technology. The laser is essentially responsible for nonlinear effects and is extensively used in all branches of science, industry, and medicine.

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Автор: Группа авторов

Organonickel chemistry plays an increasingly important role in organic chemistry, and interest in this topic is now just as keen as in organopalladium chemistry. While there are numerous, very successful books on the latter, a book specializing in organonickel chemistry is long overdue. Edited by one of the leading experts in the field, this volume covers the many discoveries made over the past 30 years, and previously scattered throughout the literature. Active researchers working at the forefront of organonickel chemistry provide a comprehensive review of the topic, including cross-coupling reactions, asymmetric synthesis and heterogeneous catalysis reaction types. A must-have for both organometallic chemists and synthetic organic chemists.

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Автор: Группа авторов

At the very latest, with the award of the 2001 Nobel Prize for work on asymmetric oxidation, there has been a need for a comprehensive book on such methods. Edited by J.-E. Backvall, one of the world's leaders in the field, this book fills that gap by covering the topic, from classical to green chemistry methods. He has put together a plethora of well-established authors from all over the world who cover every important aspect in high-quality contributions – whether aerobic oxidation or transition metal-catalyzed epoxidation of alkenes. By providing an overview of this huge topic, this book represents an unparalleled aid for any chemist working in the field. Chapters include: Recent Developments in the Osmium-Catalyzed Dihydroxylation of Olefins Transition Metal-Catalyzed Epoxidation of Alkenes Organocatalytic Oxidation – Ketone-Catalyzed Asymmetric Epoxidation of Olefins Modern Oxidation of Alcohols using environmentally Benign Oxidants Aerobic Oxidations and Related Reactions Catalyzed by N-Hydroxyphthalimide Ruthenium-Catalyzed Oxidation of Alkenes, Alcohols, Amines, Amides, b-Lactams, Phenols, and Hydrocarbons Selective Oxidations of Sulfides and Amines Liquid Phase Oxidation Reactions Catalyzed by Polyoxometalates Oxidation of Carbonyl Compounds Mn-catalysed Oxidation with Hydrogen Peroxide

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Автор: Isao Noda

Modern Polymer Spectroscopy provides a 'guided tour' to the state of the art in polymer analysis by vibrational spectroscopy. Five renowned experts describe new experimental and theoretical techniques. Areas of focus include: – two-dimensional infrared spectroscopy – segmental mobility of liquid crystalline polymers under external fields – dynamics and structure of polymers with chemical and structural disorder – spectra of polyconjugated conducting polymers – theoretical calculations on biopolymers. Readers learn experimental techniques and theoretical tools essential for obtaining more valuable information from their vibrational spectra, in order too solve problems that would otherwise be impossible. An essential reference for all professionals who need to keep abreast at the latest developments in the field, graduate students in polymer science, material science and the biosciences using spectroscopic techniques will profit from the wealth of information provided in this state-of-the-art guide.

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Автор: Eugene Barry F

The bible of gas chromatography-offering everything the professional and the novice need to know about running, maintaining, and interpreting the results from GC Analytical chemists, technicians, and scientists in allied disciplines have come to regard Modern Practice of Gas Chomatography as the standard reference in gas chromatography. In addition to serving as an invaluable reference for the experienced practitioner, this bestselling work provides the beginner with a solid understanding of gas chromatographic theory and basic techniques. This new Fourth Edition incorporates the most recent developments in the field, including entirely new chapters on gas chromatography/mass spectrometry (GC/MS); optimization of separations and computer assistance; high speed or fast gas chromatography; mobile phase requirements: gas system requirements and sample preparation techniques; qualitative and quantitative analysis by GC; updated information on detectors; validation and QA/QC of chromatographic methods; and useful hints for good gas chromatography. As in previous editions, contributing authors have been chosen for their expertise and active participation in their respective areas. Modern Practice of Gas Chromatography, Fourth Edition presents a well-rounded and comprehensive overview of the current state of this important technology, providing a practical reference that will greatly appeal to both experienced chomatographers and novices.

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Автор: Ewen Smith

This book reflects the dramatic increase in the number of Raman spectrometers being sold to and used by non-expert practitioners. It contains coverage of Resonance Raman and SERS, two hot areas of Raman, in a form suitable for the non-expert. Builds Raman theory up in stages without overloading the reader with complex theory Includes two chapters on instrumentation and interpretation that shows how Raman spectra can be obtained and interpreted Explains the potential of using Raman spectroscopy in a wide variety of applications Includes detailed, but concise information and worked examples

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Автор: Pher Andersson G

With its comprehensive overview of modern reduction methods, this book features high quality contributions allowing readers to find reliable solutions quickly and easily. The monograph treats the reduction of carbonyles, alkenes, imines and alkynes, as well as reductive aminations and cross and heck couplings, before finishing off with sections on kinetic resolutions and hydrogenolysis. An indispensable lab companion for every chemist.

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Автор: J. Hollas Michael

The latest edition of this highly acclaimed title introduces the reader to a wide range of spectroscopies, and includes both the background theory and applications to structure determination and chemical analysis. It covers rotational, vibrational, electronic, photoelectron and Auger spectroscopy, as well as EXAFs and the theory of lasers and laser spectroscopy. A revised and updated edition of a successful, clearly written book Includes the latest developments in modern laser techniques, such as cavity ring-down spectroscopy and femtosecond lasers Provides numerous worked examples, calculations and questions at the end of chapters

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Автор: Peter Stang J

Written by internationally acclaimed experts, this handy volume covers all major classes of supramolecular compounds. Chapters include cyclophanes, resorcinarene and calixarene synthesis, supramolecular metallomacrocycles and macrocycle synthesis, rotaxane and catenane synthesis, cucurbiturils and porphyrins, as well as macrocyclic drugs. Each chapter contains experimental procedures allowing fast access to this type of synthetic chemistry.

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Автор: Cossy Janine

All the latest tools needed to plan and perform the synthesis of complex bioactive molecules Focusing on organic, organometallic, and bio-oriented processes, this book explores the impact and use of the latest synthetic tools for the synthesis of complex biologically active compounds. Readers will discover step by step how these synthetic tools have provided new, elegant solutions to many synthetic puzzles. Moreover, they will discover innovative methods that make it possible to control the exact connectivity of atoms within a molecule in order to set precise three-dimensional arrangements. Modern Tools for the Synthesis of Complex Bioactive Molecules features sixteen chapters, each one written by one or more leading experts in organic synthesis from around the world. It covers a broad range of topics that enable readers to take advantage of the latest methods for synthesizing complex molecules, including: Modern catalysis, emphasizing key transformations such as C-H functionalizations, cross-couplings, gold-catalyzed reactions, metathesis-based syntheses, and asymmetric organocatalysis Eco-compatible transformations, including rearrangements and domino reactions Tools for the synthesis of carbohydrates and alkaloids New techniques, including the use of fluorous tags and engineered biosynthesis The last two chapters explore target- and diversity-oriented organic synthesis as well as the use of DNA-based asymmetric catalysis, which are all promising tools for the successful synthesis of complex bioactive molecules. Modern Tools for the Synthesis of Complex Bioactive Molecules is ideal for students and researchers who need to plan and perform the synthesis of complex molecules as efficiently as possible. The book's expert advice will help these readers quickly resolve a broad range of problems that can arise in organic syntheses.

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Автор: Beat Ernst

In a clever didactic manner this textbook answers such essential pharmacokinetic questions as how drugs are distributed in the body, how do they reach their target, and how are they broken down and removed from the body. From the contents: – The active substance's path to the molecular target – Transporters and ion channels – Gastrointestinal absorption – Liver processes – Entering the brain: the Blood-brain barrier – Reaching the placenta – Elimination through the kidney With its attractive layout and mostly full-color illustrations, this is not only a must for all advanced students of pharmacology and related disciplines, but also a valuable guide for lecturers and those working in the pharmaceutical industry.

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Автор: Ernest Hodgson

An essential resource for graduate students, academic and industrial toxicologists, and environmental health scientists and professionals Over the course of thirty years and three editions, Introduction to Biochemical Toxicology has been an important source for coverage of the ongoing quest to define the biochemical, cellular, and molecular events induced by toxicants at the cellular and organismic levels. Now, as the principles and methods of molecular and cellular biology as well as genomic sciences play an ever increasing role in mechanistic toxicology, significant changes have been made to the book, resulting in this important new edition-now titled Molecular and Biochemical Toxicology, Fourth Edition. Much more than an introductory text, this crucial new edition has been completely revised to provide timely and thorough coverage of the underlying biochemical, molecular, and cellular mechanisms through which toxicants produce their adverse effects. Toxicological issues are covered from the molecule to the cell to the organ level. Complex methods used in toxicology are also described in a straightforward, easy-to-understand style. Additional features of this new edition include: New chapters that explore the interface between toxicology and genomic sciences, including: bioinformatics, proteomics, metabolomics, and toxicogenomics Increased emphasis on structure, mechanism, and regulation of xenobiotic metabolizing enzymes, toxicogenetics, and xenobiotic transporters Additional new chapters on: molecular epidemiology and genetic susceptibility, DNA damage and mutagenesis, DNA repair, mechanisms of cell death, mitochondrial dysfunction, metals, reproductive toxicology, developmental toxicology, and reactive oxygen/metabolites and toxicity Molecular and Biochemical Toxicology, Fourth Edition guides graduate students, toxicologists, and environmental health professionals through the principles of molecular and biochemical toxicology and the complex mechanisms of toxicity. Whether it's used in the classroom or in industry, research, or academia, this book is essential for anyone interested in understanding the molecular mechanisms through which toxicants produce adverse effects.

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Автор: Whitehouse David

Molecular and Cellular Therapeutics aims to bring together key developments in the areas of molecular diagnostics, therapeutics and drug discovery. The book covers topics including diagnostics, therapeutics, model systems, clinical trials and drug discovery. The developing approaches to molecular and cellular therapies, diagnostics and drug discovery are presented in the context of the pathologies they are devised to treat.

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Автор: Toshio Fukui

Recent expansion in the range and sophistication of techniques in protein science has provided a wealth of new information. This book deals with the latest achievements by the most active researchers in the field of enzyme catalysis. Twenty-eight authors from Japan, the USA and Israel provide first-class information on enzyme structure and function studies. Their ideas for new methodologies will stimulate the redesign of more effective biocatalysts. A discussion of new trends, and advanced techniques is followed by detailed presentations of the structures and functions of such important enzymes as: – Aspartate Aminotransferase – Tryptophan Synthase – Alanine Racemase – Tryptophanase – Superoxid Dismutase – H+-ATPas

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Автор: Hugo Kubinyi

This readily comprehensible book explains the identification of molecular targets via cellular assays, reporter genes or transgenic models, as well as surveying recent advances in the synthesis, separation and analysis of drugs. A special section is devoted to molecular genetics methods. With its examination of these novel methods and generous practical advice, this is essential reading for all pharmaceutical chemists, molecular biologists and medical researchers using molecular methods to study drugs and their action.

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Автор: John Crocker

The latest edition of this highly successful text, covers the major advances in the methods used in cellular and molecular pathology. In recent years, knowledge of the molecular organization of the cell has led to the development of powerful new techniques that bring greater accuracy and objectives to the diagnosis, prognosis and management of many diseases and to the study of pathological states. This book describes the latest molecular techniques available for the analysis of diseases. In particular it includes new techniques using fluorescent dyes, DNA microarrays, protein chemistry, and mass spectrometry. It also incorporates information from the Human Genome Project, and the new disciplines of genomics and proteomics, where relevant to pathology. Color plates are a new feature of this edition, illustrating the advances in fluorescence labeling of cells.

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Автор: CIBA Foundation Symposium

The Novartis Foundation Series is a popular collection of the proceedings from Novartis Foundation Symposia, in which groups of leading scientists from a range of topics across biology, chemistry and medicine assembled to present papers and discuss results. The Novartis Foundation, originally known as the Ciba Foundation, is well known to scientists and clinicians around the world.

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Автор: Jamie Goode A

The ability at the molecular level to keep track of time is a property shared by organisms ranging from the simplest unicells to humans. The primary feature of these biological clocks is their ability to entrain to environmental stimuli. The dominant stimulus comes from environmental light cues, which requires the existence of photopigments sensitive to light. The exact identity of the molecules involved in circadian photoreception has remained elusive. The classical view of the circadian system is of diverse physiological rhythms regulated by a centralized clock structure. This book presents evidence that challenges this view. Experiments in both vertebrate and invertebrate systems demonstrate that the circadian timing system is dispersed throughout the animal and suggest that possibly every cell contains an autonomous clock mechanism. A variety of tissues and cells contain have been shown to maintain an oscillation when placed in vitro and removed from any external cues or signals that originate from the classical clock structures and/or the environment. This book draws together contributions from an international and interdisciplinary group of experts whose work is focused on all aspects of the topic. Coverage includes the mechanisms of light signalling to the vertebrate clock, the connections between central and peripheral clocks, circadian gene expression patterns and output pathways of clock mechanisms.

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Автор: Alberto Credi

The miniaturization of bulky devices and machines is a process that confronts us on a daily basis. However, nanoscale machines with varied and novel characteristics may also result from the enlargement of extremely small building blocks, namely individual molecules. This bottom-up approach to nanotechnology is already being pursued in information technology, with many other branches about to follow. – Written by a team of experienced authors headed by Vincenzo Balzani, one of the pioneers in the development of molecular machines – Covers such diverse aspects as sensors, memory components, solar energy conversion, biomolecules as molecular machines, and much more – Presented in a lucid style and didactically structured, with both the expert and the newcomer in mind – Includes a glossary of terms and numerous references to the recent literature Be among the first to explore the fascinating possibilities of this future-oriented technology! A must-have for every chemist and materials scientist with an interest in nanotechnology.

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Автор: Alberto Credi

Targeted at a broad audience ranging from chemists and biochemists to physicists and engineers, this book covers advanced research while being written in an easily understandable language accessible to any interested researcher or graduate student. Following an introduction to the general concepts, the authors go on to discuss devices for processing electrons and electronic energy, memories, logic gates and related systems, and, finally, molecular-scale machines.

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Автор: Hugo Kubinyi

This first systematic overview for more than a decade is tailor-made for the medicinal chemist. All the chapters are written by experienced drug developers and include practical examples from real drug candidates. Following an introduction to global drug properties and their impact on drug research, screening and combinatorial chemistry libraries, this handbook demonstrates the best and fastest way to estimate those properties most relevant for the efficiency and pharmacokinetic performance of a drug molecule: lipophilicity,solubility, electronic properties and conformation.

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Автор: Trygve Helgaker

Ab initio quantum chemistry has emerged as an important tool in chemical research and is appliced to a wide variety of problems in chemistry and molecular physics. Recent developments of computational methods have enabled previously intractable chemical problems to be solved using rigorous quantum-mechanical methods. This is the first comprehensive, up-to-date and technical work to cover all the important aspects of modern molecular electronic-structure theory. Topics covered in the book include: * Second quantization with spin adaptation * Gaussian basis sets and molecular-integral evaluation * Hartree-Fock theory * Configuration-interaction and multi-configurational self-consistent theory * Coupled-cluster theory for ground and excited states * Perturbation theory for single- and multi-configurational states * Linear-scaling techniques and the fast multipole method * Explicity correlated wave functions * Basis-set convergence and extrapolation * Calibration and benchmarking of computational methods, with applications to moelcular equilibrium structure, atomization energies and reaction enthalpies. Molecular Electronic-Structure Theory makes extensive use of numerical examples, designed to illustrate the strengths and weaknesses of each method treated. In addition, statements about the usefulness and deficiencies of the various methods are supported by actual examples, not just model calculations. Problems and exercises are provided at the end of each chapter, complete with hints and solutions. This book is a must for researchers in the field of quantum chemistry as well as for nonspecialists who wish to acquire a thorough understanding of ab initio molecular electronic-structure theory and its applications to problems in chemistry and physics. It is also highly recommended for the teaching of graduates and advanced undergraduates.

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Автор: Chris Wild

I think this is an excellent book–I recommend it to anyone involved in molecular epidemiology… The 26 chapters are written by topic specialists, in an explanatory, east to read style. –BTS Newsletter, Summer 2009 «This text provides an accessible and useful handbook for the epidemiologist who wants to survey the field, to become better informed, to look at recent developments and get some background on these or simply to appreciate further the relatively rapid changes in informatic and analytical technologies which increasingly will serve and underpin future epidemiological studies. One of the strengths in this book is the extensive array of practical illustrative examples, and it would also in my opinion have useful potential as a teaching text.» –American Journal of Human Biology, March 2009 With the sequencing of the human genome and the mapping of millions of single nucleotide polymorphisms, epidemiology has moved into the molecular domain. Scientists can now use molecular markers to track disease-associated genes in populations, enabling them to study complex chronic diseases that might result from the weak interactions of many genes with the environment. Use of these laboratory generated biomarker data and an understanding of disease mechanisms are increasingly important in elucidating disease aetiology. Molecular Epidemiology of Disease crosses the disciplinary boundaries between laboratory scientists, epidemiologists, clinical researchers and biostatisticians and is accessible to all these relevant research communities in focusing on practical issues of application, rather than reviews of current areas of research. Covers categories of biomarkers of exposure, susceptibility and disease Includes chapters on novel technologies: genomics, transcriptomics, proteomics and metabonomics, which are increasingly finding application in population studies Emphasizes new statistical and bioinformatics approaches necessitated by the large data sets generated using these new methodologies Demonstrates the potential applications of laboratory techniques in tackling epidemiological problems while considering their limitations, including the sources of uncertainty and inaccuracy Discusses issues such as reliability (compared to traditional epidemiological methods) and the timing of exposure Explores practical elements of conducting population studies, including biological repositories and ethics Molecular Epidemiology of Disease provides an easy-to-use, clearly presented handbook that allows epidemiologists to understand the specifics of research involving biomarkers, and laboratory scientists to understand the main issues of epidemiological study design and analysis. It also provides a useful tool for courses on molecular epidemiology, using many examples from population studies to illustrate key concepts and principles.

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Автор: Edward Holmes C

The study of evolution at the molecular level has given the subject of evolutionary biology a new significance. Phylogenetic 'trees' of gene sequences are a powerful tool for recovering evolutionary relationships among species, and can be used to answer a broad range of evolutionary and ecological questions. They are also beginning to permeate the medical sciences. In this book, the authors approach the study of molecular evolution with the phylogenetic tree as a central metaphor. This will equip students and professionals with the ability to see both the evolutionary relevance of molecular data, and the significance evolutionary theory has for molecular studies. The book is accessible yet sufficiently detailed and explicit so that the student can learn the mechanics of the procedures discussed. The book is intended for senior undergraduate and graduate students taking courses in molecular evolution/phylogenetic reconstruction. It will also be a useful supplement for students taking wider courses in evolution, as well as a valuable resource for professionals. First student textbook of phylogenetic reconstruction which uses the tree as a central metaphor of evolution. Chapter summaries and annotated suggestions for further reading. Worked examples facilitate understanding of some of the more complex issues. Emphasis on clarity and accessibility.

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Автор: Bernard Valeur

This second edition of the well-established bestseller is completely updated and revised with approximately 30 % additional material, including two new chapters on applications, which has seen the most significant developments. The comprehensive overview written at an introductory level covers fundamental aspects, principles of instrumentation and practical applications, while providing many valuable tips. For photochemists and photophysicists, physical chemists, molecular physicists, biophysicists, biochemists and biologists, lecturers and students of chemistry, physics, and biology.

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Автор: Ralph Rapley

Molecular Forensics offers a comprehensive coverage of the increasingly important role that molecular analysis plays within forensic science. Starting with a broad introduction of modern forensic molecular technologies, the text covers key issues from the initial scenes of crime sampling to the use of evidential material in the prosecution of legal cases. The book also explores the questions raised by the growing debate on the applications of national DNA databases and the resulting challenges of developing, maintaining and curating such vast data structures. The broader range of applications to non-human cases is also discussed, as are the statistical pitfalls of using so-called unique data such as DNA profiles, and the ethical considerations of national DNA databases. An invaluable reference for students taking courses within the Forensic and Biomedical sciences, and also useful for practitioners in the field looking for a broad overview of the subject. Provides a comprehensive overview of modern forensic molecular technologies. Explores the growing debate on the applications of national DNA databases. Discusses the initial phases of investigation to the conclusion of cases involving molecular forensic analysis.

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Автор: Matthew Neurock

An integrated approach to the molecular theory of reaction mechanism in heterogeneous catalysis, largely based on the knowledge among the growing theoretical catalysis community over the past half century, and covering all major catalytic systems. The authors develop a general conceptual framework, including in-depth comparisons with enzyme catalysis, biomineralisation, organometallic and coordination chemistry. A chapter dedicated to molecular electrocatalysis addresses the molecular description of reactions at the liquid-solid interphase, while studies range from a quantum-chemical treatment of individual molecular states to dynamic Monte-Carlo simulations, including the full flexibility of the many-particle systems. Complexity in catalysis is explained in chapters on self-organization and self-assembly of catalysts, and other sections are devoted to evolutionary, combinatorial techniques as well as artificial chemistry.

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Автор: Hugo Kubinyi

This unique reference source, edited by the world's most respected expert on molecular interaction field software, covers all relevant principles of the GRID force field and its applications in medicinal chemistry. Entire chapters on 3D-QSAR, pharmacophore searches, docking studies, metabolism predictions and protein selectivity studies, among others, offer a concise overview of this emerging field. As an added bonus, this handbook includes a CD-ROM with the latest commercial versions of the GRID program and related software.

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Автор: Kenneth Karlin D

Discover the exciting, promising field of molecular level artificial photosynthesis This special volume of Progress in Inorganic Chemistry presents the theory and practice of molecular artificial photosynthesis-a field holding tremendous promise now that molecular solar energy materials are fast becoming competitive with their solid-state counterparts. The only book on the market to address this important area of inorganic research, Molecular Level Artificial Photosynthetic Materials shows us, in effect, how to imitate the complex natural processes of photosynthesis-featuring state-of-the-art strategies and techniques for creating artificial photosynthetic devices at the molecular level. It takes a multidisciplinary approach, drawing on materials science techniques used in the design of solar energy devices, examining the molecular nature of the chemistry involved, and applying existing knowledge in inorganic photochemistry and photophysics to the growing pool of molecular photonic materials. Composed of seven superbly crafted contributions by leading experts in the field, this comprehensive work * Describes molecular components integrated within nanophase materials, gels, zeolites, thin films, and layered solids * Uses novel time resolved vibrational spectroscopies to elucidate fundamental electron and energy transfer mechanisms in complex supramolecular compounds * Highlights practical applications such as the conversion of light into electricity, solar detoxification of pollutants, and the production of useful fuels-including the splitting of water into hydrogen and oxygen * Points to areas of future research and usefulness for inorganic photochemists, as well as for students, chemists, material scientists, physicists, and engineers in a wide range of fields

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Автор: Группа авторов

Molecular Mechanisms of Photosynthesis stands as an ideal introduction to this subject. Robert Blankenship, a leading authority in photosynthesis research, offers a modern approach to photosynthesis in this accessible and well-illustrated text. The book provides a concise overview of the basic principles of energy storage and the history of the field, then progresses into more advanced topics such as electron transfer pathways, kinetics, genetic manipulations, and evolution. Throughout, Blankenship includes an interdisciplinary emphasis that makes this book appealing across fields. Leading authority in Photosynthesis and the the President of the International Society of Photosynthesis Research. First authoritative text to enter the market in 10 years. Stresses an interdisciplinary approach, which appeals to all science students. Emphasizes the recent advances in molecular structures and mechanisms. Only text to contain comprehensive coverage of both bacterial and plant photosynthesis. Includes the latest insights and research on structural information, improved spectroscopic techniques as well as advances in biochemical and genetic methods. Presents the most extensive treatment of the Origin and evolution of photosynthesis. Comprehensive appendix, which includes a detailed introduction to the physical basis of photosynthesis, including thermodynamics, kinetics and spectroscopy.

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Автор: Gregory Bock R

This book features scientists from a broad spectrum of disciplines discussing recent data on aggression in laboratory animals with particular reference to possible implications for understanding human aggression. Chapters focus on the major current experimental issues in the study of aggression in humans and animals. The extensive discussions deal with specific problems of interpretation at the molecular level, as well as general issues relating to our understanding of human and animal aggression.

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Автор: Hugo Kubinyi

Written by experienced experts in molecular modeling, this books describes the basics to the extent that is necessary if one wants to be able to reliably judge the results from molecular modeling calculations. Its main objective is the description of the various pitfalls to be avoided. Without unnecessary overhead it leads the reader from simple calculations on small molecules to the modeling of proteins and other relevant biomolecules. A textbook for beginners as well as an invaluable reference for all those dealing with molecular modeling in their daily work!

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Автор: Peter Comba

In many branches of chemistry, Molecular Modeling is a well-established and powerful tool for the investigation of complex structures. The second completely revised and enlarged edition of this highly recognized book shows how this method can be successfully applied to inorganic and coordination compounds. The first part of the book gives a general introduction to Molecular Modeling, which will be of use for chemists in all areas. The second part discusses numerous carefully selected examples, chosen to illustrate the wide range of applicability of molecular modeling to metal complexes and the approaches being taken to dealing with some of the difficulties involved. While the general outline is similar to that of the first edition, many of the examples chosen for discussion reflect the changes of the past five years. In the third part, the reader learns how to apply Molecular Modeling to a new system and how to interpret the results. The accompanying software features 20 tutorial lessons based on examples from the literature and the book itself. The authors take special care to highlight possible pitfalls and offer advice on how to avoid them. Therefore, this book will be invaluable to everyone working in or entering the field.

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Автор: Peter Comba

In many branches of chemistry, Molecular Modeling is a well-established and powerful tool when complex structures are investigated. This book shows how the method can be successfully applied to inorganic and coordination compounds. In the first part, a general introduction to Molecular Modeling is given, which will be of use for chemists in all areas. The second part contains a discussion of many carefully selected examples, chosen to illustrate the wide range of applicability and the approaches being taken to dealing with some of the difficulties encountered in modeling metal complexes. In the third part, the reader is instructed how to apply Molecular Modeling to a new system. The authors take special care to highlight the possible pitfalls and offer advice on how to avoid them. Therefore, this book will be invaluable for everyone working in or entering the field.

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Автор: Alan Hinchliffe

A concise, basic introduction to modelling and computational chemistry which focuses on the essentials, including MM, MC, and MD, along with a chapter devoted to QSAR and Discovery Chemistry. Includes supporting website featuring background information, full colour illustrations, questions and answers tied into the text,Visual Basic packages and many realistic examples with solutions Takes a hands-on approach, using state of the art software packages G03/W and/or Hyperchem, Gaussian .gjf files and sample outputs. Revised with changes in emphasis and presentation to appeal to the modern student.

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Автор: Группа авторов

Presenting a concise, basic introduction to modelling and computational chemistry this text includes relevant introductory material to ensure greater accessibility to the subject. Provides a comprehensive introduction to this evolving and developing field Focuses on MM, MC, and MD with an entire chapter devoted to QSAR and Discovery Chemistry. Includes many real chemical applications combined with worked problems and solutions provided in each chapter Ensures that up-to-date treatment of a variety of chemical modeling techniques are introduced.

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Автор: Группа авторов

Winner of the PROSE Award for Chemistry & Physics 2010 Acknowledging the very best in professional and scholarly publishing, the annual PROSE Awards recognise publishers' and authors' commitment to pioneering works of research and for contributing to the conception, production, and design of landmark works in their fields. Judged by peer publishers, librarians, and medical professionals, Wiley are pleased to congratulate Professor Ian Fleming, winner of the PROSE Award in Chemistry and Physics for Molecular Orbitals and Organic Chemical Reactions. Molecular orbital theory is used by chemists to describe the arrangement of electrons in chemical structures. It is also a theory capable of giving some insight into the forces involved in the making and breaking of chemical bonds—the chemical reactions that are often the focus of an organic chemist's interest. Organic chemists with a serious interest in understanding and explaining their work usually express their ideas in molecular orbital terms, so much so that it is now an essential component of every organic chemist's skills to have some acquaintance with molecular orbital theory. Molecular Orbitals and Organic Chemical Reactions is both a simplified account of molecular orbital theory and a review of its applications in organic chemistry; it provides a basic introduction to the subject and a wealth of illustrative examples. In this book molecular orbital theory is presented in a much simplified, and entirely non-mathematical language, accessible to every organic chemist, whether student or research worker, whether mathematically competent or not. Topics covered include: Molecular Orbital Theory Molecular Orbitals and the Structures of Organic Molecules Chemical Reactions – How Far and How Fast Ionic Reactions – Reactivity Ionic Reactions – Stereochemistry Pericyclic Reactions Radical Reactions Photochemical Reactions Slides for lectures and presentations are available on the supplementary website: www.wiley.com/go/fleming_student Molecular Orbitals and Organic Chemical Reactions: Student Edition is an invaluable first textbook on this important subject for students of organic, physical organic and computational chemistry. The Reference Edition edition takes the content and the same non-mathematical approach of the Student Edition, and adds extensive extra subject coverage, detail and over 1500 references. The additional material adds a deeper understanding of the models used, and includes a broader range of applications and case studies. Providing a complete in-depth reference for a more advanced audience, this edition will find a place on the bookshelves of researchers and advanced students of organic, physical organic and computational chemistry. Further information can be viewed here. «These books are the result of years of work, which began as an attempt to write a second edition of my 1976 book Frontier Orbitals and Organic Chemical Reactions. I wanted to give a rather more thorough introduction to molecular orbitals, while maintaining my focus on the organic chemist who did not want a mathematical account, but still wanted to understand organic chemistry at a physical level. I'm delighted to win this prize, and hope a new generation of chemists will benefit from these books.» -Professor Ian Fleming

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Автор: CIBA Foundation Symposium

The Novartis Foundation Series is a popular collection of the proceedings from Novartis Foundation Symposia, in which groups of leading scientists from a range of topics across biology, chemistry and medicine assembled to present papers and discuss results. The Novartis Foundation, originally known as the Ciba Foundation, is well known to scientists and clinicians around the world.

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Автор: Vincent Rotello

State-of-the-art techniques for tapping the vast potential of polymers The use of specific non-covalent interactions to control polymer structure and properties is a rapidly emerging field with applications in diverse disciplines. Molecular Recognition and Polymers covers the fundamental aspects and applications of molecular recognition—in the creation of novel polymeric materials for use in drug delivery, sensors, tissue engineering, molecular imprinting, and other areas. This reference begins by explaining the fundamentals of supramolecular polymers; it progresses to cover polymer formation and self-assembly with a wide variety of examples, and then includes discussions of biomolecular recognition using polymers. With chapters contributed by the foremost experts in their fields, this resource: Provides an integrated resource for supramolecular chemistry, polymer science, and interfacial science Covers advanced, state-of-the-art techniques used in the design and characterization of non-covalent interactions in polymers Illustrates how to tailor the properties of polymeric materials for various applications Stand-alone chapters address specific applications independently for easy reference. This is a premier resource for graduate students and researchers in polymer chemistry, supramolecular chemistry, materials science, and physical organic chemistry.

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Автор: Rogers Donald W

A guide to analyzing the structures and properties of organic molecules Until recently, the study of organic molecules has traveled down two disparate intellectual paths—the experimental, or physical, method and the computational, or theoretical, method. Working somewhat independently of each other, these disciplines have guided research for decades, but they are now being combined efficiently into one unified strategy. Molecular Structure delivers the essential fundamentals on both the experimental and computational methods, then goes further to show how these approaches can join forces to produce more effective analysis of the structure and properties of organic compounds by: Looking at experimental structures: electron, neutron, X-ray diffraction, and microwave spectroscopy as well as computational structures: ab initio, semi-empirical molecular orbital, and molecular mechanics calculations Discussing various electronic effects, particularly stereoelectronic effects, including hyperconjugation, negative hyperconjugation, the Bohlmann and anomeric effects, and how and why these cause changes in structures and properties of molecules Illustrating complex carbohydrate effects such as the gauche effect, the delta-two effect, and the external anomeric torsional effect Covering hydrogen bonding, the CH bond, and how energies, especially heats of formation, can be affected Using molecular mechanics to tie all of these things together in the familiar language of the organic chemist, valence bond pictures Authored by a founding father of computational chemistry, Molecular Structure broadens the scope of the subject by serving as a pioneering guide for workers in the fields of organic, biological, and computational chemistry, as they explore new possibilities to advance their discoveries. This work will also be of interest to many of those in tangential or dependent fields, including medicinal and pharmaceutical chemistry and pharmacology.

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Автор: Группа авторов

This substantially revised and expanded new edition of the bestselling textbook, addresses the difficulties that can arise with the mathematics that underpins the study of symmetry, and acknowledges that group theory can be a complex concept for students to grasp. Written in a clear, concise manner, the author introduces a series of programmes that help students learn at their own pace and enable to them understand the subject fully. Readers are taken through a series of carefully constructed exercises, designed to simplify the mathematics and give them a full understanding of how this relates to the chemistry. This second edition contains a new chapter on the projection operator method. This is used to calculate the form of the normal modes of vibration of a molecule and the normalised wave functions of hybrid orbitals or molecular orbitals. The features of this book include: * A concise, gentle introduction to symmetry and group theory * Takes a programmed learning approach * New material on projection operators, and the calcultaion of normal modes of vibration and normalised wave functions of orbitals This book is suitable for all students of chemistry taking a first course in symmetry and group theory.

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Автор: Группа авторов

In this first integrated view, practically each of the world's leading experts has contributed to this one and only authoritative resource on the topic. Bringing systems biology to cellular energetics, they address in detail such novel concepts as metabolite channeling and medical aspects of metabolic syndrome and cancer.

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Автор: Pamela Greenwell

This book should be useful to lecturers who teach senior undergraduates, graduate students, and students in the biomedical sciences in general. More globally, Greenwell and McCulley's book should encourage academicians of any stripe who for some time have been honing their lectures in a niche subject area to turn their courses into textbooks. –Biochemistry and Molecular Biology Education Molecular therapeutics refers to the developments in molecular biology that are focused on treating disease with new molecular-based drugs. By taking advantage of recent advances and increased understanding in the field of human genetics, this book provides essential background knowledge and key literature on a broad range of novel approaches and disciplines. These include making recombinant proteins, xenotransplantation gene therapy and therapeutic cloning. Molecular Therapeutics: 21st Century Medicine describes the techniques – including their associated benefits, problems, pitfalls – and discusses their applicability with respect to treating microbial, inherited, multifactoral and acquired diseases. The book also pays specific attention to the ethical issues associated with this new field. Cutting-edge topics and clinically relevant materials engage and maintain student interest Self-assessment questions are included throughout the book Features an additional web site, with a web forum, regular updates and PowerPoint slides of figures from the book Molecular Therapeutics: 21st Century Medicine is a comprehensive, accessible and engaging guide to the rapidly developing field of molecular therapeutics. It is essential reading for all students in this area of research and also of interest for health professionals involved in these novel therapies.

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Автор: Laszlo Kurti

Molecules and Medicine provides, for the first time ever, a completely integrated look at chemistry, biology, drug discovery, and medicine. It delves into the discovery, application, and mode of action of more than one hundred of the most significant molecules in use in modern medicine. Opening sections of the book provide a unique, clear, and concise introduction, which enables readers to understand chemical formulas.

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Автор: James Redpath

The newest volume in the prestigious series The Chemistry of Heterocyclic Compounds, this work covers synthesis, reactions, properties, structure, physical chemistry and utility of monocyclic azepines.

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Автор: CIBA Foundation Symposium

The Novartis Foundation Series is a popular collection of the proceedings from Novartis Foundation Symposia, in which groups of leading scientists from a range of topics across biology, chemistry and medicine assembled to present papers and discuss results. The Novartis Foundation, originally known as the Ciba Foundation, is well known to scientists and clinicians around the world.

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Автор: Ilya Prigogine

In Monte Carlo Methods in Chemical Physics: An Introduction to the Monte Carlo Method for Particle Simulations J. Ilja Siepmann Random Number Generators for Parallel Applications Ashok Srinivasan, David M. Ceperley and Michael Mascagni Between Classical and Quantum Monte Carlo Methods: «Variational» QMC Dario Bressanini and Peter J. Reynolds Monte Carlo Eigenvalue Methods in Quantum Mechanics and Statistical Mechanics M. P. Nightingale and C.J. Umrigar Adaptive Path-Integral Monte Carlo Methods for Accurate Computation of Molecular Thermodynamic Properties Robert Q. Topper Monte Carlo Sampling for Classical Trajectory Simulations Gilles H. Peslherbe Haobin Wang and William L. Hase Monte Carlo Approaches to the Protein Folding Problem Jeffrey Skolnick and Andrzej Kolinski Entropy Sampling Monte Carlo for Polypeptides and Proteins Harold A. Scheraga and Minh-Hong Hao Macrostate Dissection of Thermodynamic Monte Carlo Integrals Bruce W. Church, Alex Ulitsky, and David Shalloway Simulated Annealing-Optimal Histogram Methods David M. Ferguson and David G. Garrett Monte Carlo Methods for Polymeric Systems Juan J. de Pablo and Fernando A. Escobedo Thermodynamic-Scaling Methods in Monte Carlo and Their Application to Phase Equilibria John Valleau Semigrand Canonical Monte Carlo Simulation: Integration Along Coexistence Lines David A. Kofke Monte Carlo Methods for Simulating Phase Equilibria of Complex Fluids J. Ilja Siepmann Reactive Canonical Monte Carlo J. Karl Johnson New Monte Carlo Algorithms for Classical Spin Systems G. T. Barkema and M.E.J. Newman

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Автор: Paula Whitlock A

This introduction to Monte Carlo Methods seeks to identify and study the unifying elements that underlie their effective application. It focuses on two basic themes. The first is the importance of random walks as they occur both in natural stochastic systems and in their relationship to integral and differential equations. The second theme is that of variance reduction in general and importance sampling in particular as a technique for efficient use of the methods. Random walks are introduced with an elementary example in which the modelling of radiation transport arises directly from a schematic probabilistic description of the interaction of radiation with matter. Building on that example, the relationship between random walks and integral equations is outlined. The applicability of these ideas to other problems is shown by a clear and elementary introduction to the solution of the Schrodinger equation by random walks. The detailed discussion of variance reduction includes Monte Carlo evaluation of finite-dimensional integrals. Special attention is given to importance sampling, partly because of its intrinsic interest in quadrature, partly because of its general usefulness in the solution of integral equations. One significant feature is that Monte Carlo Methods treats the «Metropolis algorithm» in the context of sampling methods, clearly distinguishing it from importance sampling. Physicists, chemists, statisticians, mathematicians, and computer scientists will find Monte Carlo Methods a complete and stimulating introduction.

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Автор: Andrea Instone

Исполнители: Angela Neis

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Автор: Marvin Close

The most important football story ever told.`It is amazing to think that a game that people take for granted all around the world, was the very same game that gave a group of prisoners sanity – and in a way, gave us the resolve to carry on the struggle'. Anthony Suze, Robben Island Prisoner.This is the astonishing story of a unique group of political prisoners and freedom fighters who found a sense of dignity in one of the ugliest hellholes on Earth: South Africa’s infamous Robben Island, where Nelson Mandela was famously incarderated. Despite all odds and regular torture, beatings and daily backbreaking hard labour, these extraordinary men turned soccer into an active force in the struggle for freedom.For nearly 20 years, these prisoners found the energy, spirit and resolve to organise a 1400 prisoner-strong, eight club football league which was played with strict adherance to FIFA rules.The prisoners themselves represented a broad array of political beliefs and backgrounds, yet football became an impassioned and unified symbol of resistance against apartheid. They refused to let their own political differences sway their devotion to the sport, which allowed them to organise and maintain leadership right under the noses of their captors.This league not only provided sanctuary and respite from the prisoners’ cruel surroundings, it kept their minds active and many credit it with keeping them alive. More Than Just a Game chronicles their story, the politics of the time, the extraordinary characters, their heroism and the thrilling matches themselves.

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