- Table View
- List View
Molecular Diversity of Environmental Prokaryotes
by Thiago Bruce Rodrigues and Amaro Emiliano Trindade SilvaThis book correlates the vast genetic diversity associated with environmental samples and still underexploited potential for the development of biotechnology products. The book points out the potential of different types of environmental samples. It presents the main characteristics of microbial diversity, the main approaches used for molecular characterization of the diversity, and practical examples of application of the exploration of the microbial diversity. It presents a not-yet-explored structure for discussing the main topics related to molecular biology of environmental prokaryotes and their biotechnological applications.
Molecular Driving Forces: Statistical Thermodynamics in Biology, Chemistry, Physics, and Nanoscience
by Ken Dill Sarina BrombergMolecular Driving Forces, Second Edition E-book is an introductory statistical thermodynamics text that describes the principles and forces that drive chemical and biological processes. It demonstrates how the complex behaviors of molecules can result from a few simple physical processes, and how simple models provide surprisingly accurate insights into the workings of the molecular world. Widely adopted in its First Edition, Molecular Driving Forces is regarded by teachers and students as an accessible textbook that illuminates underlying principles and concepts. The Second Edition includes two brand new chapters: (1) "Microscopic Dynamics" introduces single molecule experiments; and (2) "Molecular Machines" considers how nanoscale machines and engines work. "The Logic of Thermodynamics" has been expanded to its own chapter and now covers heat, work, processes, pathways, and cycles. New practical applications, examples, and end-of-chapter questions are integrated throughout the revised and updated text, exploring topics in biology, environmental and energy science, and nanotechnology. Written in a clear and reader-friendly style, the book provides an excellent introduction to the subject for novices while remaining a valuable resource for experts.
Molecular Dynamics
by Charles Matthews Ben LeimkuhlerThis book describes the mathematical underpinnings of algorithms used for molecular dynamics simulation, including both deterministic and stochastic numerical methods. Molecular dynamics is one of the most versatile and powerful methods of modern computational science and engineering and is used widely in chemistry, physics, materials science and biology. Understanding the foundations of numerical methods means knowing how to select the best one for a given problem (from the wide range of techniques on offer) and how to create new, efficient methods to address particular challenges as they arise in complex applications. Aimed at a broad audience, this book presents the basic theory of Hamiltonian mechanics and stochastic differential equations, as well as topics including symplectic numerical methods, the handling of constraints and rigid bodies, the efficient treatment of Langevin dynamics, thermostats to control the molecular ensemble, multiple time-stepping, and the dissipative particle dynamics method.
Molecular Dynamics
by Ruben SantamariaThis molecular dynamics textbook takes the reader from classical mechanics to quantum mechanics and vice versa, and from few-body systems to many-body systems. It is self-contained, comprehensive, and builds the theory of molecular dynamics from basic principles to applications, allowing the subject to be appreciated by readers from physics, chemistry, and biology backgrounds while maintaining mathematical rigor. The book is enhanced with illustrations, problems and solutions, and suggested reading, making it ideal for undergraduate and graduate courses or self-study. With coverage of recent developments, the book is essential reading for students who explore and characterize phenomena at the atomic level. It is a useful reference for researchers in physics and chemistry, and can act as an entry point for researchers in nanoscience, materials engineering, genetics, and related fields who are seeking a deeper understanding of nature.
Molecular Dynamics - Theory and Applications (Mechanical Engineering Series)
by Maurizio Bottoni Simone Mantovani Gaetano ZanghiratiThis book originated from seminars given at the Institute of Nuclear Energy Technology (INET) of Tsinghua University, China, by the author in 1999. The courses gave graduate students a basic understanding of numerical techniques that would enable them to deal with problems of Computational Fluid Dynamics (CFD) and of molecular dynamics at research level. In subsequent years the lecture notes have been re-organized and implemented for students of atmospheric sciences of the Physics Department of the University of Ferrara, Italy. The lecture notes are divided into eight chapters, where some chapters are characterized by a scholastic approach. Specifically, Chapter 1 describes the theoretical basis of molecular dynamics, Chapter 2 gives examples of applications, like the Bénard problem; and Chapter 3 presents a summary of applications of DLA (Diffusion Limited Aggregation). The remainder of the book follows a less conventional approach, mainly informed by the author’s experience in the development of computer programs and in teaching. Chapter 4 is dedicated to a comparison of traditional and advanced methods of analysing nuclear safety problems in thermal and fast reactors, Chapter 5 concerns simulation of thermophoresis and aerosol displacement in atmospheric physics, and Chapter 6 discusses thermal confinement of cosmic particles due to thermophoretic forces in space domain. Addressing the recognized difficulty of proceeding from the theoretical formulations found in textbooks to properly working computer programs, and the typically large gap between the theoretical foundation and the final result, Molecular Dynamics - Theory and Applications is ideal for graduate level researchers and practitioners working in the development of codes for simulating physical problems.
Molecular Dynamics Analyses of Prion Protein Structures: The Resistance to Prion Diseases Down Under (Focus on Structural Biology #10)
by Jiapu ZhangUnlike bacteria and viruses, which are based on DNA and RNA, prions are unique as disease-causing agents since they are misfolded proteins. Prion diseases are called "protein structural conformational” diseases. This monograph is the book on molecular dynamics (MD) simulations nearly for all the known normal prion protein (PrPC) PDB entries in the Protein Data Bank (PDB) and associations. Pig is a species that is largely resistant to prions, and chicken, turtles, frogs are species resisting prion infection too; firstly, this book will address all PrP strong immunity species (such as rabbits, dogs, horses, water buffaloes, pigs, chicken, turtles, frogs), compared with high susceptibility species. Other PrP models and doppel models are also MD studied in this book.Secondly, all the mutants of mouse PrP and human PrP are well studied by this book. Mouse mutations in the β2-α2 loop and the C-terminal will bring clear structures with highly and clearly ordered loop structures. Human mutations will cause prion diseases such as Creutzfeldt-Jakob diseases (CJDs), Gerstmann-Sträussler-Scheinker (GSS) syndrome, fatal familial insomnia (FFI), etc. Deep MD analyses of mouse and human mutants are done in this book.Thirdly, PrP binding with antibodies/compounds etc. is well MD studied in this book. The informatics of potential antiprion drugs known will be revealed. Lastly, cross-β structure PrP peptides are well studied. This book is ideal for practical computing staff in the fields of computational physics, computational biology, computational chemistry, biomedicine, bioinformatics, cheminformatics, materials, applied mathematics and theoretical physics, information technology, operations research, biostatistics, etc. As an accessible introduction to these fields, this book is also ideal as a teaching material for students.
Molecular Dynamics Simulation of Nanostructured Materials: An Understanding of Mechanical Behavior
by Bankim Chandra Ray Snehanshu PalMolecular dynamics simulation is a significant technique to gain insight into the mechanical behavior of nanostructured (NS) materials and associated underlying deformation mechanisms at the atomic scale. The purpose of this book is to detect and correlate critically current achievements and properly assess the state of the art in the mechanical behavior study of NS material in the perspective of the atomic scale simulation of the deformation process. More precisely, the book aims to provide representative examples of mechanical behavior studies carried out using molecular dynamics simulations, which provide contributory research findings toward progress in the field of NS material technology.
Molecular Dynamics Simulations in Statistical Physics: Theory and Applications (Scientific Computation)
by Hiqmet KamberajThis book presents computer simulations using molecular dynamics techniques in statistical physics, with a focus on macromolecular systems. The numerical methods are introduced in the form of computer algorithms and can be implemented in computers using any desired computer programming language, such as Fortran 90, C/C++, and others. The book also explains how some of these numerical methods and their algorithms can be implemented in the existing computer programming software of macromolecular systems, such as the CHARMM program. In addition, it examines a number of advanced concepts of computer simulation techniques used in statistical physics as well as biological and physical systems. Discussing the molecular dynamics approach in detail to enhance readers understanding of the use of this method in statistical physics problems, it also describes the equations of motion in various statistical ensembles to mimic real-world experimental conditions. Intended for graduate students and research scientists working in the field of theoretical and computational biophysics, physics and chemistry, the book can also be used by postgraduate students of other disciplines, such as applied mathematics, computer sciences, and bioinformatics. Further, offering insights into fundamental theory, it as a valuable resource for expert practitioners and programmers and those new to the field.
Molecular Dynamics Simulations of Disordered Materials
by Carlo Massobrio Jincheng Du Marco Bernasconi Philip S. SalmonThis book is a unique reference work in the area of atomic-scale simulation of glasses. For the first time, a highly selected panel of about 20 researchers provides, in a single book, their views, methodologies and applications on the use of molecular dynamics as a tool to describe glassy materials. The book covers a wide range of systems covering "traditional" network glasses, such as chalcogenides and oxides, as well as glasses for applications in the area of phase change materials. The novelty of this work is the interplay between molecular dynamics methods (both at the classical and first-principles level) and the structure of materials for which, quite often, direct experimental structural information is rather scarce or absent. The book features specific examples of how quite subtle features of the structure of glasses can be unraveled by relying on the predictive power of molecular dynamics, used in connection with a realistic description of forces.
Molecular Dynamics and Complexity in Catalysis and Biocatalysis
by Marco PiumettiThis textbook presents a concise comparison of catalytic and biocatalytic systems outlining their catalytic properties and peculiarities. Moreover, it presents a brief introduction to the science of catalysis and attempts to unify different catalytic systems into a single, conceptually coherent structure. In fact, molecular dynamics and complexity may occur in both catalysts and biocatalysts, with many similarities in both their structural configuration and operational mechanisms. Moreover, the interactions between the different components of the catalytic system that are important in defining the overall activity, including the nature of active sites are discussed. Each chapter includes end of chapter questions supported by an online instructor solution manual. This textbook will be useful for undergraduate and graduate chemistry and biochemistry students.
Molecular Dynamics of Additives in Polymers
by Alexander KovarskiThis volume focuses on the dynamical behaviour of low-molecular additives in solid polymer matrixes. It covers: types and models of molecular motion in condensed media; dependence of motional frequency on particle structure and size, temperature, volume and stress; and polymer properties and polymeric structures. Extensive analysis of common regularities of rotational and translational dynamics of molecules introduced into polymers are given. The book also includes experimental techniques for molecular mobility evaluation, and features detailed data on rotational dynamics of additives. It should be of interest to specialists in various fields of polymer physical chemistry and materials science.
Molecular Dynamics of Glass-Forming Systems
by Marian Paluch George Floudas Kai Ngai Andrzej GrzybowskiPressure is one of the essential thermodynamic variables that, due to some former experimental difficulties, was long known as the "forgotten variable." But this has changed over the last decade. This book includes the most essential first experiments from the 1960s and reviews the progress made in understanding glass formation with the application of pressure in the last ten years. The systems include amorphous polymers and glass-forming liquids, polypeptides and polymers blends. The thermodynamics of these systems, the relation of the structural relaxation to the chemical specificity, and their present and future potential applications are discussed in detail. The book provides (a) an overview of systems exhibiting glassy behavior in relation to their molecular structure and provides readers with the current state of knowledge on the liquid-to-glass transformation, (b) emphasizes the relation between thermodynamic state and dynamic response and (c) shows that the information on the pressure effects on dynamics can be employed in the design of materials for particular applications. It is meant to serve as an advanced introductory book for scientists and graduate students working or planning to work with dynamics. Several scientific papers dealing with the effects of pressure on dynamics have appeared in leading journals in the fields of physics in the last ten years. The book provides researchers and students new to the field with an overview of the knowledge that has been gained in a coherent and comprehensive way.
Molecular Dynamics of Plant Stress and its Management
by Muhammad Shahid Rajarshi GaurThis edited volume focuses on the study of stress in plants and how it can be effectively managed. With the growing global population, the importance of crop yield and stress management has become a critical issue, and this book offers solutions to these challenges. The book explores the impact of abiotic and biotic stressors on plant growth and development, including drought, salinity, temperature stress, pests, and diseases. It also examines the role of genetic engineering and biotechnology in developing stress-tolerant plants. It offers insights on the latest research and advancements in plant breeding, genomics, and proteomics, which are essential in developing crops that can withstand harsh environmental conditions. It offers solutions for managing these challenges, including genetic engineering, proteomics, and genomics. The book provides a detailed overview of the latest research and advancements in plant stress management and offers practical advice on how to apply these findings in real-world scenarios. It explores the impact of climate change on agricultural production and provides insights on how to develop stress-tolerant crops that can withstand changing environmental conditions. With its comprehensive coverage of the latest research and practical insights, the book is an invaluable guide for students, researchers, and professionals looking to develop sustainable agricultural practices and ensure food security for future generations.
Molecular Ecology
by Heather Kirk Joanna R. Freeland Stephen D. PetersenMolecular Ecology, 2nd Edition provides an accessible introduction to the many diverse aspects of this subject. The book takes a logical and progressive approach to uniting examples from a wide range of taxonomic groups. The straightforward writing style offers in depth analysis whilst making often challenging subjects such as population genetics and phylogenetics highly comprehensible to the reader.The first part of the book introduces the essential underpinnings of molecular ecology and gives a review of genetics and discussion of the molecular markers that are most frequently used in ecological research, and a chapter devoted to the newly emerging field of ecological genomics. The second half of the book covers specific applications of molecular ecology, covering phylogeography, behavioural ecology and conservation genetics.The new edition provides a thoroughly up-to-date introduction to the field, emphasising new types of analyses and including current examples and techniques whilst also retaining the information-rich, highly readable style which set the first edition apart.Incorporates both theoretical and applied perspectivesHighly accessible, user-friendly approach and presentationIncludes self-assessment activities with hypothetical cases based on actual species and realistic data setsUses case studies to place the theory in contextProvides coverage of population genetics, genomics, phylogeography, behavioural ecology and conservation genetics.
Molecular Ecology
by Joanna R. FreelandA fully updated guide to the increasingly prevalent use of molecular data in ecological studies Molecular ecology is concerned with how molecular biology and population genetics may help us to better understand aspects of ecology and evolution including local adaptation, dispersal across landscapes, phylogeography, behavioral ecology, and conservation biology. As the technology driving genetic science has advanced, so too has this fast-moving and innovative discipline, providing important insights into virtually all taxonomic groups. This third edition of Molecular Ecology takes account of the breakthroughs achieved in recent years to give readers a thorough and up-to-date account of the field as it is today. New topics covered in this book include next-generation sequencing, metabarcoding, environmental DNA (eDNA) assays, and epigenetics. As one of molecular ecology’s leading figures, author Joanna Freeland also provides those new to the area with a full grounding in its fundamental concepts and principles. This important text: Is presented in an accessible, user-friendly manner Offers a comprehensive introduction to molecular ecology Has been revised to reflect the field’s most recent studies and research developments Includes new chapters covering topics such as landscape genetics, metabarcoding, and community genetics Rich in insights that will benefit anyone interested in the ecology and evolution of natural populations, Molecular Ecology is an ideal guide for all students and professionals who wish to learn more about this exciting field.
Molecular Ecology and Conservation Genetics of Neotropical Mammals
by Maximiliano Nardelli Juan Ignacio TúnezAlthough all living beings modify their environment, human beings have acquired the ability to do so on a superlative space-time scale. As a result of industrialization and the use of new technologies, the anthropogenic impact has been increasing in the last centuries, causing reductions in the sizes or the extinction of numerous wild populations. In this sense, from the field of conservation genetics, various efforts have been made in recent decades to provide new knowledge that contributes to the conservation of populations, species, and habitats. In this book, we summarize the concrete contributions of researchers to the conservation of the Neotropical mammals using Molecular Ecology techniques.The book is divided into three major sections. The first section provides an up-to-date review of the conservation status of Neotropical mammals, the applications of the molecular markers in its conservation, and the use of non-invasive and forensic genetic techniques. The second and third sections present, respectively, a series of case studies in various species or taxonomic groups of Neotropical mammals.
Molecular Electronic Control Over Tunneling Charge Transfer Plasmons Modes (Springer Theses)
by Shu Fen TanThis thesis describes the controlled immobilization of molecules between two cuboidal metal nanoparticles by means of a self-assembly method to control the quantum plasmon resonances. It demonstrates that quantum-plasmonics is possible at length scales that are useful for real applications. Light can interact with certain metals and can be captured in the form of plasmons, which are collective, ultra-fast oscillations of electrons that can be manipulated at the nano-scale. Surface plasmons are considered as a promising phenomenon for potentially bridging the gap between fast-operating-speed optics and nano-scale electronics. Quantum tunneling has been predicted to occur across two closely separated plasmonic resonators at length scales ( Unlike top-down nanofabrication, the molecules between the closely-spaced metal nanoparticles could control the gap sizes down to sub-nanometer scales and act as the frequency controllers in the terahertz regime, providing a new control parameter in the fabrication of electrical circuits facilitated by quantum plasmon tunneling.
Molecular Electronic Structures of Transition Metal Complexes II
by Peter Day David Michael Mingos Jens Peder DahlT. Ziegler: A Chronicle About the Development of Electronic Structure Theories for Transition Metal Complexes.- J. Linderberg: Orbital Models and Electronic Structure Theory.- J.S. and J.E. Avery: Sturmians and Generalized Sturmians in Quantum Theory.- B.T Sutcliffe: Chemistry as a "Manifestation of Quantum Phenomena" and the Born-Oppenheimer Approximation?- A.J. McCaffery: From Ligand Field Theory to Molecular Collision Dynamics: A Common Thread of Angular Momentum.- M. Atanasov, D. Ganyushin, K. Sivalingam and F. Neese: A Modern First-Principles View on Ligand Field Theory Through the Eyes of Correlated Multireference Wavefunctions.- R.S. Berry and B.M. Smirnov: The Phase Rule: Beyond Myopia to Understanding.
Molecular Electronic-Structure Theory
by Poul Jorgensen Trygve Helgaker Jeppe OlsenAb 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.
Molecular Embryology
by Paul T. Sharpe Ivor MasonA comprehensive guide to cutting-edge methods used today across the dramatically growing field of molecular embryology. These powerful techniques take advantage of the most commonly used vertebrate experimental models: murine embryos for their genetics, chick embryos for in vivo manipulation, zebrafish for mutagenesis, amphibian embryos, and nonvertebrate chordates. The book emphasizes the most important methods of experimental molecular biology and the particular advantages of each different species. Detailed, easy-to-follow instructions, together with relevant background information and helpful tips, ensure easy reproducibility.
Molecular Embryology
by Ivor Mason Paul SharpeIn Molecular Embryology: Methods and Protocols, Second Edition, expert investigators provide a comprehensive guide to the cutting-edge methods used across the dramatically growing field of vertebrate molecular embryology. Time-tested techniques take advantage of the most commonly used vertebrate experimental models: murine embryos for their genetics, chick embryos for in vivo manipulation, zebrafish for mutagenesis, amphibian embryos, and nonvertebrate chordates. The second edition collects classic protocols which have become standard techniques in the laboratory and presents them in a complementary fashion with novel and emerging approaches, allowing researcher to become more familiar with commonly studied embryos used in biomedical research. Insightful to the experienced professional, Molecular Embryology: Methods and Protocols, Second Edition, presents cutting-edge findings of perhaps the greatest period in growth and productivity in the field of developmental biology.
Molecular Embryology: How Molecules Give Birth to Animals
by Michael J. BarryMolecular Embryology explains in simple terms the molecular interactions that transform an egg to a complex embryo that in the end gives rise to a fully-formed animal. In doing so, the book covers one hundred and fifty years of experiments that have led to our present understanding of these molecular interactions. As the text progresses, the reader will gain a sense of the developmental similarities and differences between organisms. Students studying developmental biology and embryology will find this book an extremely useful introduction to the subject and will also appeal to anyone with an interest in the most recent advances in this largely undiscovered territory.
Molecular Encapsulation
by Jean-Luc Mieusset Udo H. BrinkerThe inclusion of small guest molecules within suitable host compounds results in constrained systems that imbue novel properties upon the incarcerated organic substrates. Supramolecular tactics are becoming widely employed and this treatise spotlights them. Often, the impact of encapsulation on product formation is substantial. The use of constrained systems offers the means to steer reactions along desired pathways. A broad overview of various supramolecular approaches aimed to manipulate chemical reactions are featured.The following topics are covered in detail:- general concepts governing the assembly of the substrate with the reaction vessel- preparation of molecular reactors- stabilization of reactive intermediates- reactions in water, in organic solvents, and in the solid state- photochemical reactions- reactions with unusual regioselectivityMolecular Encapsulation: Organic Reactions in Constrained Systems is an essential guide to the art of changing the outcome and the selectivity of a chemical reaction using nano-sized reaction vessels. It will find a place on the bookshelves of students and researchers working in the areas of supramolecular chemistry, nanotechnology, organic and pharmaceutical chemistry, and materials science as well.
Molecular Endocrinology
by Thomas E. Curry Jr. Ok-Kyong Park-SargeOver the course of the last hundred years, the field of endocrinology has received ever-increasing attention. Research and developing technologies have resulted in a significant leap in our understanding of the causes and treatment of endocrine dysfunction. In Molecular Endocrinology: Methods and Protocols, leaders in the field share a diversity of cutting-edge techniques that are becoming routinely employed in the quest to further understand hormone action. In order to reach the widest number of labs, this volume includes protocols that allow investigators at all stages of their scientific career to successfully perform these techniques. Written in the highly successful Methods in Molecular BiologyTM series format, chapters include brief introductions to their respective subjects, lists of the necessary materials and reagents, step-by-step, readily reproducible laboratory protocols, and expert notes on troubleshooting and avoiding known pitfalls. Comprehensive and easy to use, Molecular Endocrinology: Methods and Protocols is an ideal guide for researchers in labs across the world who seek a deeper understanding of the complex processes and biology of hormones.
Molecular Endocrinology: Genetic Analysis of Hormones and their Receptors
by Gill Rumsby Sheelagh M. FarrowThis volume in the Human Molecular Genetics series is an invaluable text for endocrinologists wishing to update their knowledge. It also provides an excellent grounding in the basic genetics of molecular endocrinology and relevant analytical techniques.