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This handbook presents a review of modern force spectroscopy, including fundamentals of intermolecular forces, technical aspects of the force measurements, and practical applications. It is an authoritative guide to planning, understanding, and analyzing modern molecular force spectroscopy experiments.
Molecular 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.
Researchers in academia and industry who are interested in techniques for measuring intermolecular forces will find this an essential text. It presents a review of modern force spectroscopy, including fundamentals of intermolecular forces, technical aspects of the force measurements, and practical applications. The handbook begins with a review of the fundamental physics of loading single and multiple chemical bonds on the nanometer scale. It contains a discussion of thermodynamic and kinetic models of binding forces and dissipation effects in nanoscale molecular contacts, covers practical aspects of modern single-molecule level techniques, and concludes with applications of force spectroscopy to chemical and biological processes. Computer modeling of force spectroscopy experiments is also addressed.
Understanding Molecular Simulation: From Algorithms to Applications explains the physics behind the "recipes" of molecular simulation for materials science. Computer simulators are continuously confronted with questions concerning the choice of a particular technique for a given application. A wide variety of tools exist, so the choice of technique requires a good understanding of the basic principles. More importantly, such understanding may greatly improve the efficiency of a simulation program. The implementation of simulation methods is illustrated in pseudocodes and their practical use in the case studies used in the text. Since the first edition only five years ago, the simulation world has changed significantly -- current techniques have matured and new ones have appeared. This new edition deals with these new developments; in particular, there are sections on: - Transition path sampling and diffusive barrier crossing to simulaterare events - Dissipative particle dynamic as a course-grained simulation technique - Novel schemes to compute the long-ranged forces - Hamiltonian and non-Hamiltonian dynamics in the context constant-temperature and constant-pressure molecular dynamics simulations - Multiple-time step algorithms as an alternative for constraints - Defects in solids - The pruned-enriched Rosenbluth sampling, recoil-growth, and concerted rotations for complex molecules - Parallel tempering for glassy Hamiltonians Examples are included that highlight current applications and the codes of case studies are available on the World Wide Web. Several new examples have been added since the first edition to illustrate recent applications. Questions are included in this new edition. No prior knowledge of computer simulation is assumed.
"The work of the late William Sutherland was well known in detail to very few people by reason of its advanced character, but many Australians were aware of its high reputation. The signatories to this introduction have taken steps, now that he has passed away, to place on record an account of his life and work. They have entrusted the fulfilment of this intention to Dr. W.A. Osborne, Professor of Physiology in the the University of Melbourne, who has generously exerted himself to do justice to the memory of this distinguished graduate. William Sutherland was known to a limited circle of friends, who appreciated to the full not only his ability, but still more his remarkable personality - an earnest, selfless, many-sided man removed from the affairs of the business world, asking only that he should be allowed to do a third of a day's work so that he might devote the remaining portion of the day to the studies that were dear to him. Yet he was no recluse and brought to bear on worldly affairs a most original, penetrating and comprehensive criticism of human motives and tendencies. No appeal to help in matters of knowledge was ever made to him in vain; in fact, so affectionate was his disposition, that refusal was impossible. The signatories have done all that is possible for them to render homage to the memory of a man who so materially enriched the world. P. Baracchi, J.W. Barrett (Hon. Sec.), H.B. Higgins, T.R. Lyle, Felix Meyer, G.A. Syme, Geoffrey Syme, G.F.H. Schuler, H.G. Turner."--Introduction
Molecular force sensors are a powerful tool for studying the mechanics of cells. These sensors not only provide information on the general mechanical behavior of cells but also can help elucidate the mechanical markers of disease formation and progression. For example, can we use cell mechanics as a biomarker to diagnose cancer? What are the mechanics associated with immune system function? Can cell mechanics be used to better understand the effect of drug treatments? The number of available questions in the field of mechanobiology is endless. After reading this e-book, you will be equipped with the information needed to begin designing your own molecular force sensors, and to begin answering the multitude of questions surrounding cell mechanobiology.
Complex systems that bridge the traditional disciplines of physics, chemistry, biology, and materials science can be studied at an unprecedented level of detail using increasingly sophisticated theoretical methodology and high-speed computers. The aim of this book is to prepare burgeoning users and developers to become active participants in this exciting and rapidly advancing research area by uniting for the first time, in one monograph, the basic concepts of equilibrium and time-dependent statistical mechanics with the modern techniques used to solve the complex problems that arise in real-world applications. The book contains a detailed review of classical and quantum mechanics, in-depth discussions of the most commonly used ensembles simultaneously with modern computational techniques such as molecular dynamics and Monte Carlo, and important topics including free-energy calculations, linear-response theory, harmonic baths and the generalized Langevin equation, critical phenomena, and advanced conformational sampling methods. Burgeoning users and developers are thus provided firm grounding to become active participants in this exciting and rapidly advancing research area, while experienced practitioners will find the book to be a useful reference tool for the field.
Chemistry and chemical engineering have changed significantly in the last decade. They have broadened their scopeâ€"into biology, nanotechnology, materials science, computation, and advanced methods of process systems engineering and controlâ€"so much that the programs in most chemistry and chemical engineering departments now barely resemble the classical notion of chemistry. Beyond the Molecular Frontier brings together research, discovery, and invention across the entire spectrum of the chemical sciencesâ€"from fundamental, molecular-level chemistry to large-scale chemical processing technology. This reflects the way the field has evolved, the synergy at universities between research and education in chemistry and chemical engineering, and the way chemists and chemical engineers work together in industry. The astonishing developments in science and engineering during the 20th century have made it possible to dream of new goals that might previously have been considered unthinkable. This book identifies the key opportunities and challenges for the chemical sciences, from basic research to societal needs and from terrorism defense to environmental protection, and it looks at the ways in which chemists and chemical engineers can work together to contribute to an improved future.