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Molecular Simulation on Cement-Based Materials: From Theory to Application
by Dongshuai HouThis book presents a number of studies on the molecular dynamics of cement-based materials. It introduces a practical molecular model of cement-hydrate, delineates the relationship between molecular structure and nanoscale properties, reveals the transport mechanism of cement-hydrate, and provides useful methods for material design. Based on the molecular model presented here, the book subsequently sheds light on nanotechnology applications in the design of construction and building materials. As such, it offers a valuable asset for researchers, scientists, and engineers in the field of construction and building materials.
Molecular Simulations: Fundamentals and Practice
by Saman AlaviProvides hands-on knowledge enabling students of and researchers in chemistry, biology, and engineering to perform molecular simulations This book introduces the fundamentals of molecular simulations for a broad, practice-oriented audience and presents a thorough overview of the underlying concepts. It covers classical mechanics for many-molecule systems as well as force-field models in classical molecular dynamics; introduces probability concepts and statistical mechanics; and analyzes numerous simulation methods, techniques, and applications. Molecular Simulations: Fundamentals and Practice starts by covering Newton's equations, which form the basis of classical mechanics, then continues on to force-field methods for modelling potential energy surfaces. It gives an account of probability concepts before subsequently introducing readers to statistical and quantum mechanics. In addition to Monte-Carlo methods, which are based on random sampling, the core of the book covers molecular dynamics simulations in detail and shows how to derive critical physical parameters. It finishes by presenting advanced techniques, and gives invaluable advice on how to set up simulations for a diverse range of applications. -Addresses the current need of students of and researchers in chemistry, biology, and engineering to understand and perform their own molecular simulations -Covers the nitty-gritty ? from Newton's equations and classical mechanics over force-field methods, potential energy surfaces, and probability concepts to statistical and quantum mechanics -Introduces physical, chemical, and mathematical background knowledge in direct relation with simulation practice -Highlights deterministic approaches and random sampling (eg: molecular dynamics versus Monte-Carlo methods) -Contains advanced techniques and practical advice for setting up different simulations to prepare readers entering this exciting field Molecular Simulations: Fundamentals and Practice is an excellent book benefitting chemist, biologists, engineers as well as materials scientists and those involved in biotechnology.
Molecular Soft-Interface Science: Principles, Molecular Design, Characterization and Application
by Mizuo Maeda Atsushi Takahara Hiromi Kitano Tetsuji Yamaoka Yoshiko MiuraThis book offers a comprehensive treatment of the molecular design, characterization, and physical chemistry of soft interfaces. At the same time, the book aims to encourage the fabrication of functional materials including biomaterials. During the past few decades there has been steady growth in soft-interface science, and that growth has been especially rapid in the twenty-first century. The field is interdisciplinary because it involves chemistry, polymer science, materials science, physical chemistry, and biology. Based on the increasing interdisciplinary nature of undergraduate and graduate programs, the primary goal of this present work is to serve as a comprehensive resource for senior-level undergraduates and for graduate students, particularly in polymer chemistry, materials science, bioconjugate chemistry, bioengineering, and biomaterials. Additionally, with the growing interest in the fabrication of functional soft materials, this book provides essential fundamental information for researchers not only in academia but also in industry.
Molecular Spectroscopy: A Quantum Chemistry Approach
by Yukihiro Ozaki Jürgen Popp Marek Janusz WójcikUniquely creates a strong bridge between molecular spectroscopy and quantum chemistry This two-volume book consists of many reviews reporting new applications of quantum chemistry to molecular spectroscopy (Raman, infrared, near-infrared, terahertz, far-ultraviolet, etc.). It contains brief introductions to quantum chemistry for spectroscopists, and to the recent progress on molecular spectroscopy for quantum chemists. Molecular Spectroscopy: A Quantum Chemistry Approach examines the recent progress made in the field of molecular spectroscopy; the state of the art of quantum chemistry for molecular spectroscopy; and more. It offers multiple chapters covering the application of quantum chemistry to: visible absorption and fluorescence, Raman spectroscopy, infrared spectroscopy, near-infrared spectroscopy, terahertz spectroscopy, and far-ultraviolet spectroscopy. It presents readers with hydrogen bonding studies by vibrational spectroscopy and quantum chemistry, as well as vibrational spectroscopy and quantum chemistry studies on both biological systems and nano science. The book also looks at vibrational anharmonicity and overtones, and nonlinear and time-resolved spectroscopy. -Comprehensively covers existing and recent applications of quantum chemistry to molecular spectroscopy -Introduces the quantum chemistry for the field of spectroscopy and the advancements being made on molecular spectroscopy for quantum chemistry -Edited by world leading experts who have long standing, extensive experience and international standing in the field Molecular Spectroscopy: A Quantum Chemistry Approach is an ideal book for analytical chemists, theoretical chemists, chemists, biochemists, materials scientists, biologists, and physicists interested in the subject.
Molecular Spectroscopy of Dynamically Compressed Materials (Shock Wave and High Pressure Phenomena)
by David S. MooreThis book offers historical and state-of-the-art molecular spectroscopy methods and applications in dynamic compression science, aimed at the upcoming generation in physical sciences involved in studies of materials at extremes. It begins with addressing the motivation for probing shock compressed molecular materials with spectroscopy and then reviews historical developments and the basics of the various spectroscopic methods that have been utilized. Introductory chapters are devoted to fundamentals of molecular spectroscopy, overviews of dynamic compression technologies, and diagnostics used to quantify the shock compression state during spectroscopy experiments. Subsequent chapters describe all the molecular spectroscopic methods used in shock compression research to date, including theory, experimental details for application to shocked materials, and difficulties that can be encountered. Each of these chapters also includes a section comparing static compression results. The last chapter offers an outlook for the future, which leads the next-generation readers to tackling persistent problems.
Molecular Spectroscopy, Second Edition
by Jeanne L. MchaleThis textbook offers an introduction to the foundations of spectroscopic methods and provides a bridge between basic concepts and experimental applications in fields as diverse as materials science, biology, solar energy conversion, and environmental science. The author emphasizes the use of time-dependent theory to link the spectral response in the frequency domain to the behavior of molecules in the time domain, strengthened by two brand new chapters on nonlinear optical spectroscopy and time-resolved spectroscopy. Theoretical underpinnings are presented to the extent necessary for readers to understand how to apply spectroscopic tools to their own interests.
Molecular Spectroscopy—Experiment and Theory: From Molecules to Functional Materials (Challenges and Advances in Computational Chemistry and Physics #26)
by Andrzej Koleżyński Magdalena KrólThis book reviews various aspects of molecular spectroscopy and its application in materials science, chemistry, physics, medicine, the arts and the earth sciences. Written by an international group of recognized experts, it examines how complementary applications of diverse spectroscopic methods can be used to study the structure and properties of different materials. The chapters cover the whole spectrum of topics related to theoretical and computational methods, as well as the practical application of spectroscopic techniques to study the structure and dynamics of molecular systems, solid-state crystalline and amorphous materials, surfaces and interfaces, and biological systems. As such, the book offers an invaluable resource for all researchers and postgraduate students interested in the latest developments in the theory, experimentation, measurement and application of various advanced spectroscopic methods for the study of materials.
Molecular Spintronics
by Marta GalbiatiThis thesis targets molecular or organic spintronics and more particularly the spin polarization tailoring opportunities that arise from the ferromagnetic metal/molecule hybridization at interfaces: the new concept of spinterface. Molecular or organic spintronics is an emerging research field at the frontier between organic chemistry and spintronics. The manuscript is divided into three parts, the first of which introduces the basic concepts of spintronics and advantages that molecules can bring to this field. The state of the art on organic and molecular spintronics is also presented, with a special emphasis on the physics and experimental evidence for spinterfaces. The book's second and third parts are dedicated to the two main experimental topics investigated in the thesis: Self-Assembled Monolayers (SAMs) and Organic Semiconductors (OSCs). The study of SAMs-based magnetic tunnel nanojunctions reveals the potential to modulate the properties of such devices "at will," since each part of the molecule can be tuned independently like a "LEGO" building block. The study of Alq3-based spin valves reveals magnetoresistance effects at room temperature and is aimed at understanding the respective roles played by the two interfaces. Through the development of these systems, we demonstrate their potential for spintronics and provide a solid foundation for spin polarization engineering at the molecular level.
Molecular Techniques for Studying Viruses: Practical Notes
by Zubaida Hassan Gulfaraz KhanThis volume provides detailed information on various laboratory techniques and methodologies used for studying viruses at the molecular level. It covers essential topics such as nucleic acid isolation, protein isolation, PCR-based techniques, western blotting, serological assays, immunoprecipitation, small interfering RNA (siRNA), histological methods, bioinformatics and in silico simulations. Each chapter provides a detailed overview of the techniques, their applications, and their significance in virus research. The book is a useful resource as a practical introductory note that could be used for hands-on training of students, both undergraduates and junior postgraduates.
Molecular Techniques in Food Biology: Safety, Biotechnology, Authenticity and Traceability
by Aly Farag El Sheikha Robert E. Levin Jianping XuMolecular Techniques in Food Biology: Safety, Biotechnology, Authenticity & Traceability explores all aspects of microbe-food interactions, especially as they pertain to food safety. Traditional morphological, physiological, and biochemical techniques for the detection, differentiation, and identification of microorganisms have severe limitations. As an alternative, many of those responsible for monitoring food safety are turning to molecular tools for identifying foodborne microorganisms. This book reviews the latest molecular techniques for detecting, identifying, and tracing microorganisms in food, addressing both good foodborne microbes, such as those used for fermentation and in probiotics, and harmful ones responsible for foodborne illness and food quality control problems. Molecular Techniques in Food Biology: Safety, Biotechnology, Authenticity & Traceability brings together contributions by leading international authorities in food biology from academe, industry, and government. Chapters cover food microbiology, food mycology, biochemistry, microbial ecology, food biotechnology and bio-processing, food authenticity, food origin traceability, and food science and technology. Throughout, special emphasis is placed on novel molecular techniques relevant to food biology research and for monitoring and assessing food safety and quality. Brings together contributions from scientists at the leading edge of the revolution in molecular food biology Explores how molecular techniques can satisfy the dire need to deepen our understanding of how microbial communities develop in foods of all types and in all forms Covers all aspects of food safety and hygiene, microbial ecology, food biotechnology and bio-processing, food authenticity, food origin traceability, and more Fills a yawning gap in the world literature on food traceability using molecular techniques This book is an important working resource for professionals in agricultural, food science, biomedicine, and government involved in food regulation and safety. It is also an excellent reference for advanced students in agriculture, food science and food technology, biochemistry, microbiology, and biotechnology, as well as academic researchers in those fields.
Molecular Technologies for Detection of Chemical and Biological Agents
by Joseph H. Banoub Richard M. CaprioliThis book describes the latest molecular insights needed to understand the chemical and biological (CB) agents and their associated biotechnologies. Its primary focus is to present and discuss molecular technologies such as mass spectrometry, chemical and biological sensors, chromatographic and electrophoretic separation, and comparisons of spectroscopic, immunological and molecular analyses of chemicals used for the detection of chemical and biological agents and to prevent terrorism. This NATO-ASI book also contributes to the critical assessment of existing knowledge on new and important detection technologies. It helps to identify directions for future research and to promote closer working relationships between scientists from different professional fields.
Molecular Technology: Energy Innovation
by Takashi Kato Hisashi YamamotoEdited by foremost leaders in chemical research together with a number of distinguished international authors, this first of four volumes summarizes the most important and promising recent chemical developments in energy science all in one book. Interdisciplinary and application-oriented, this ready reference focuses on chemical methods that deliver practical solutions for energy problems, covering new developments in advanced materials for energy conversion, semiconductors and much more besides.Of great interest to chemists as well as researchers in the fields of energy science in academia and industry.
The Molecular Theory of Adsorption in Porous Solids
by Yury Konstantinovich TovbinIn the adsorption phenomenon the substances from the external environment the gas or liquid are absorbed by a solid surface (adsorbent). Adsorption is used to separate gaseous and liquid mixtures, for drying and purification of gases and liquids. This reference broadly explores the calculation of the equilibrium and dynamic characteristics of adsorption in porous bodies at the molecular level. Two new theories of statistical physics are presented, both developed by the author for the consistent description of the equilibrium distribution of molecules and dynamics of flows in complex porous materials to be able to solve a wide range of practical tasks in the development of new technologies.
Molecular Water Oxidation Catalysis
by Antoni LlobetPhotocatalytic water splitting is a promising strategy for capturing energy from the sun by coupling light harvesting and the oxidation of water, in order to create clean hydrogen fuel. Thus a deep knowledge of the water oxidation catalysis field is essential to be able to come up with useful energy conversion devices based on sunlight and water splitting.Molecular Water Oxidation Catalysis: A Key Topic for New Sustainable Energy Conversion Schemes presents a comprehensive and state-of-the-art overview of water oxidation catalysis in homogeneous phase, describing in detail the most important catalysts discovered today based on first and second row transition metals. A strong emphasis is placed on the description of their performance, as well as how they work from a mechanistic perspective. In addition, a theoretical description of some of the most relevant catalysts based on DFT are presented, as well as a description of related natural systems, such as the oxygen evolving system of photosystem II and the heme chlorite-dismutase.This book is a valuable resource for researchers working on water oxidation catalysis, solar energy conversion and artificial photosynthesis, as well as for chemists and materials scientists with a broad interest in new sustainable energy conversion schemes.
Molecularly Imprinted Polymers: Methods and Protocols (Methods in Molecular Biology #2359)
by Antonio Martín-EstebanThis detailed volume explores molecularly imprinted polymers (MIPs), which have attracted great interest both in fundamental research and for practical applications due to their selective molecular recognition capabilities, extraordinary stability, and ease of preparation. Beginning with key laboratory protocols describing the different steps towards the synthesis of MIPs by different polymerization strategies, the volume continues by examining MIP use in sample preparation, their implementation on the development of sensors, as well as applications in other areas such catalysis and the use of bioinformatics and molecular modeling for MIPs design. Written for the highly successful Methods in Molecular Biology series, chapters include introductions to the respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible laboratory protocols, and tips on troubleshooting and avoiding known pitfalls. Authoritative and practical, Molecularly Imprinted Polymers: Methods and Protocols serves as an ideal guide for researchers seeking to harness this very powerful approach for the preparation of molecular selective synthetic polymers.
Molecularly Imprinted Polymers as Artificial Antibodies for the Environmental Health: A Step Towards Achieving the Sustainable Development Goals
by Santanu Patra Mika SillanpaaThis book covers the fundamental principles of molecularly imprinted polymers (MIPs) and their synthesis methodologies, offering readers a solid understanding of these unique materials. It delves into the design and selection of template molecules for imprinting, as well as polymerization techniques and strategies for optimizing MIP performance. With a focus on real-world applications, the book showcases the wide range of environmental health problems that MIPs can address. It discusses the detection and quantification of pollutants in air, water, and soil using MIP-based sensors and biosensors. Additionally, it explores the use of MIPs in environmental remediation, such as the adsorption and removal of contaminants, as well as the development of MIP-based materials for water and soil treatment. The book also highlights the analytical applications of MIPs in environmental health, including separation and purification techniques, sample preparation, and preconcentration methods. It examines how MIPs can be integrated into analytical instrumentation and detection systems to enhance environmental analysis. By bringing together interdisciplinary knowledge from the fields of environmental science, chemistry, polymer science, analytical chemistry, and environmental engineering, this book provides readers with a comprehensive understanding of the potential of MIPs as artificial antibodies for environmental health. With its emphasis on real-world applications and case studies, it offers practical insights that researchers, academics, and professionals can apply in environmental monitoring, remediation, and analysis projects.
Molecularly Imprinted Polymers in Biotechnology
by Bo Mattiasson Lei YeControlled radical polymerization techniques for molecular imprinting, by Mark E. Byrne From bulk polymers to nanoparticles, by Lei Ye Post-imprinting and in-cavity functionalization, by Toshifumi Takeuchi Characterization of MIPs (affinity, selectivity, site heterogeneity. . . ), by Richard Ansell Theoretical aspects and computer modelling, by Ian Nicholls MIPs in aqueous environments, by Bin Lu MIPs for binding macromolecules, by Kenneth J. Shea Solid phase extraction, by Ecevit Yilmaz Sensors, by Sergey A. Piletsky MIPs for catalysis and synthesis, by Marina Resmini Wastewater treatment, by Bo Mattiasson MIPs as tools for bioassays, biotransformation and drug delivery, by Meiping Zhao
Molecules at Work
by Bruno PignataroThis book contains the contributions of selected young chemists from the field of nanotechnology and material sciences. The contributionsare grouped under the following umbrella topics:Self assemblyNanomaterialsMolecular MachineryThis volume is an indispensable read for all materials scientists, organic, and inorganic chemists, Ph.D. students in chemistry andmaterial sciences interested in seeing what tomorrow's chemistry will look like.
Molekularbiologische Methoden in der Lebensmittelanalytik
by Ulrich BuschMolekularbiologische Verfahren werden seit Längerem in der Analytik von Lebensmitteln, Saatgut und Futtermitteln angewendet. Das Spektrum reicht vom Nachweis gentechnisch veränderter und allergener Inhaltsstoffe über die Tierartendifferenzierung in Fleischprodukten bis zur Bestimmung pathogener Keime. Das Buch vermittelt in äußerst praxisbezogener Weise die notwendigen molekularbiologischen Techniken und das nötige Hintergrundwissen. Einen Schwerpunkt bildet die Polymerase-Kettenreaktion (PCR), einschließlich Realtime-PCR und Qualitätssicherung.
Moleküle aus dem All? (Erlebnis Wissenschaft)
by Katharina Al-ShamerySpannend wie ein Krimi: Big-Bang und Leben auf dem Mars Wie kam es dazu, dass sich unsere Erde allmählich aus dem Nebel des Sonnensystems zu formen begann und was ist dran an der Theorie, dass das Leben in Form von Sporen direkt aus dem All zu uns auf die Erde transportiert wurde? Unsere bisherige Evolutionsgeschichte liest sich schon spannend wie ein Krimi. Und hier verraten international renommierte Wissenschaftler auch ihre Zukunftsvisionen, wie z. B. Professor Jesco von Puttkamer (ISS und NASA), der ergründet, ob Leben auf dem Mars möglich ist. Wie nahrhaft war die Ursuppe? Ist das Leben aus einer üppigen und vor Nährstoffen strotzenden Ursuppe entstanden, warum ist es so schwer, den Molekülbaukasten der Erde zu erforschen und kennen Sie schon das älteste überlebende Urzeitrelikt? Hier bekommen Sie alle Antworten, die die Wissenschaft bislang erforscht hat, und machen sich mit Experten auf Spurensuche - unter anderem nach dem Stoff, aus dem die Gene sind. Wo sind sie alle? Auf der Suche nach außerirdischem Leben >>Die Erde als die einzige bevölkerte Welt im All anzusehen, ist ebenso absurd wie die Behauptung, auf einem mit Hirse gesäten Feld sprieße nur ein einziges Korn.>Nachbarn<<? Und wie können die Menschen mit ihnen Kontakt aufnehmen? Die Wissenschaft arbeitet mit Nachdruck daran - und erzählt in diesem Buch, wie weit sie bisher gekommen ist.
Molluscan Shellfish Depuration
by W.S. OtwellThis volume is the first complete publication on molluscan shellfish depuration. It represents a comprehensive and timely overview of issues ranging from pertinent regulations through technology and commercial practice in all current international settings. Industry and historical perspectives are followed by information detailing design criteria, operations, monitoring and alternatives. Regulatory requirements and expectations are complimented with economic projections for clams and oysters. Microbial concerns are addressed in specific chapters for bacteria, viruses, Vibrios and associated public health problems. Related issues include specific plant operations, natural toxins, and irradiation and relaying alternatives. Molluscan Shellfish Depuration will serve as a benchmark for shellfish depuration technology at the beginning of the 21st century and provides a useful, well illustrated reference resource for commercial, regulatory, academic, and other user interests.
Molluscan Shellfish Safety
by Gilbert SauvéIn a time of rapid climatic, industrial and technological changes in molluscan shellfish producing and exporting regions, it is of the utmost importance to keep a keen eye on developing trends. This collection of recent research in molluscan shellfish safety, risk assessment, risk management, regulation and analytical methods presented at the 8th ICMSS (International Conference on Molluscan Shellfish Safety) offers valuable insights in the latest scientific findings.
The MOM Chronicles ISA-95 Best Practices Book 3.0
by Charlie GiffordSpringing from the international success of Books 1.0 and 2.0, the ISA-chartered ISA-95 Best Practices Working Group, chaired by Charlie Gifford, brings out its third collection of Manufacturing Operations Management (MOM) methodology white papers. The Book 3.0 collection focuses on MOM system engineering to organize the complex 21st-century manufacturing plant and to optimize its role in a global supply chain. The methods do not trivialize the complexities as simply equipment optimization or material quality or consumption problems. In the twenty-year evolution of computerized manufacturing solutions, most manufacturers primarily applied and still apply point solutions to department issues. Book 3.0 explains how to develop an overall operations process definition. This definition determines operations dependencies for the entire plant in the supply network. The operations process definition as the MOM Master User Requirement Specification maps out the "As-Is" inefficient operations and the "To-Be" reengineered efficient operations. Current leaders and managers of most manufacturers have a very limited vision of how their plants must operate in the global market in five or ten years to be competitive in 2020-2025. Today's manufacturing managers generally do not have a concept of the total engineering cost to transform their paper-based operations into real-time manufacturing using artificial intelligence for their work processes. The proven reality of manufacturing operations is that manufacturing innovation requires an iterative continuous improvement process through MOM systems engineering. This requires leaders to accept innovation with managed risk to move manufacturing operations technologies forward. Operations intelligence is high-risk innovation. Period. But by 2025, those manufacturers who have not adopted paperless processes for intelligent operations will simply not be able to compete globally and will fail in business. Book 3.0 lays out the foundation to succeed.
Momentum, Heat, and Mass Transfer Fundamentals
by David P. Kessler Robert A. Greenkorn"Presents the fundamentals of momentum, heat, and mass transfer from both a microscopic and a macroscopic perspective. Features a large number of idealized and real-world examples that we worked out in detail."
Mona
by Dan SehlbergA suspenseful and highly original technothriller based on breathtaking developments in the field of thought-controlled systems and cyber warfare.Eric Söderqvist, professor of computer science at the Royal Institute of Technology in Stockholm, has invented Mind Surf: a thought-controlled system that allows people with disabilities to browse the web.Samir Mustaf is a former MIT professor whose daughter Mona was killed by an Israeli cluster bomb five years earlier. He has just developed the most sophisticated computer virus the world has ever seen, for the purpose of a cyber attack against Israel’s financial system.Eric’s wife Hanna falls into a coma — struck by an aggressive and previously unknown virus — after having tested her husband’s invention. The doctors are at a loss. Although everyone around him thinks he’s gone mad, Eric is convinced that his wife has been infected by a powerful computer virus known as Mona, and that the only way he can save her is by tracking down its creator.