Arising from a workshop, this book surveys the physics of ultracold atoms and molecules taking into consideration the latest research on ultracold phenomena, such as Bose Einstein condensation and quantum computing. Several reputed authors provide an introduction to the field, covering recent experimental results on atom and molecule cooling as well as the theoretical treatment.
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.
Many small molecules occur naturally as «messenger» chemicals which regulate the behaviour and functions of microbes, plants, insects and animals. Examples include hormones, pheromones, phytoalexins, and antifeedants. These biofunctional molecules are of great interest to researchers in helping develop our understanding of biological function and in the development of new drugs. However extracting them from nature can be prohibitively expensive, so there is great interest in devising methods of synthesising them from simple starting materials in the laboratory. Chemical Synthesis of Hormones, Pheromones and Other Bioregulators is an introduction to the techniques and strategies for the synthesis of biofunctional small molecules. Topics include: what are biofunctional molecules? why must biofunctional molecules be synthesized? how can we synthesize biofunctional molecules? the synthesis of phytohormones, phytoalexins and other biofunctional molecules of plant origin the synthesis of insect juvenile hormones and antifeedants the synthesis of pheromones and the significance of chirality in pheromone science the synthesis of microbial hormones and pheromones, antibiotics, and other biofunctional molecules of microbial origin the synthesis of marine antifeedants and medicinal candidates a synthetic examination of incorrectly proposed structures of biomolecules reflections on science as a human endeavor Drawing on a career of almost 50 years researching and teaching this subject, Kenji Mori's Chemical Synthesis of Hormones, Pheromones and Other Bioregulators is a must-have textbook for students and researchers of organic synthesis and natural products, and a stimulating and inspiring account of a distinguished chemical career.
Monomers composed of carbon and hydrogen atoms are the simple building blocks that make up polyolefins – molecules which are extremely useful and which have an extraordinary range of properties and applications. How these monomer molecules are connected in the polymer chain defines the molecular architecture of polyolefins. Written by two world-renowned authors pooling their experience from industry and academia, this book adopts a unique engineering approach using elegant mathematical modeling techniques to relate polymerization conditions, reactor and catalyst type to polyolefin properties. Readers thus learn how to design and optimize polymerization conditions to produce polyolefins with a given microstructure, and how different types of reactors and processes are used to create the different products. Aimed at polymer chemists, plastics technologists, process engineers,the plastics industry, chemical engineers, materials scientists, and company libraries.
Although there are a number of books in this field, most of them lack an introduction of comprehensive analysis of MS and IR spectra, and others do not provide up-to-date information like tandem MS. This book fills the gap. The merit of this book is that the author will not only introduce knowledge for analyzing nuclear magnetic resonance spectra including 1H spectra (Chapter 1), 13C spectra (Chapter 2) and 2D NMR spectra (Chapter 3), he also arms readers systemically with knowledge of Mass spectra (including EI MS spectra and MS spectra by using soft ionizations) (Chapter 4) and IR spectra (Chapter 5). In each chapter the author presents very practical application skills by providing various challenging examples. The last chapter (Chapter 6) provides the strategy, skills and methods on how to identify an unknown compound through a combination of spectra. Based on nearly 40 years researching and teaching experience, the author also proposes some original and creative ideas, which are very practical for spectral interpretation.
Quantum Monte Carlo is a large class of computer algorithms that simulate quantum systems to solve many body systems in order to investigate the electronic structure of many-body systems. This book presents a numeric approach to determine the electronic structure of atoms, molecules and solids. Because of the simplicity of its theoretical concept, the authors focus on the variational Quantum-Monte-Carlo (VQMC) scheme. The reader is enabled to proceed from simple examples as the hydrogen atom to advanced ones as the Lithium solid. Several intermediate steps cover the Hydrogen molecule, how to deal with a two electron systems, going over to three electrons, and expanding to an arbitrary number of electrons to finally treat the three-dimensional periodic array of Lithium atoms in a crystal. The exmples in the field of VQMC are followed by the subject of diffusion Monte-Calro (DMC) which covers a common example, the harmonic ascillator. The book is unique as it provides both theory and numerical programs. It includes rather practical advices to do what is usually described in a theoretical textbook, and presents in more detail the physical understanding of what the manual of a code usually promises as result. Detailed derivations can be found at the appendix, and the references are chosen with respect to their use for specifying details or getting an deeper understanding . The authors address an introductory readership in condensed matter physics, computational phyiscs, chemistry and materials science. As the text is intended to open the reader's view towards various possibilities of choices of computing schemes connected with the method of QMC, it might also become a welcome literature for researchers who would like to know more about QMC methods. The book is accompanied with a collection of programs, routines, and data. To download the codes, please follow http://www.wiley-vch.de/books/sample/3527408517_codes.tar.gz
Macrocyclic molecules contain rings made up of seven or more atoms. They are interesting because they provide building blocks for synthesizing precise two or three dimensional structures – an important goal in nanotechnology. For example, they can be used to develop nanosized reaction vessels, cages, switches and shuttles, and have potential as components in molecular computers. They also have applications as catalysts and sensors. Macrocycles: Construction, Chemistry and Nanotechnology Applications is an essential introduction this important class of molecules and describes how to synthesise them, their chemistry, how they can be used as nanotechnology building blocks, and their applications. A wide range of structures synthesised over the past few decades are covered, from the simpler cyclophanes and multi-ring aromatic structures to vases, bowls, cages and more complex multi-ring systems and 3D architectures such as “pumpkins”, interlocking chains and knots. Topics covered include: principles of macrocycle synthesis simple ring compounds multi-ring aromatic structures porphyrins and phthalocanines cyclophanes crown ethers, cryptands and spherands calixarenes, resorcinarenes, cavitands, carcerands, and heterocalixarenes cyclodextrins cucurbiturils cyclotriveratylenes rotaxanes catenanes complex 3D architectures, including trefoils and knots Macrocycles: Construction, Chemistry and Nanotechnology Applications distills the essence of this important topic for undergraduate and postgraduate students, and for researchers in other fields interested in getting a general insight into this increasingly important class of molecules.
NanoInnovation: What Every Manager Needs to Know is the most comprehensive book written to-date on innovative technologies and applications in the field of nanotechnology. Author Michael Tomczyk conducted more than 150 interviews with nano-insiders to present the inside story of scientific discoveries, research breakthroughs, and commercial products and applications that are already changing our lives, thanks to the remarkable ability to manipulate atoms and molecules at the nanoscale.
Cavity ring-down spectroscopy (CRDS) is a simple, highly sensitive direct absorption technique based on the rate of absorption of light circulating in an optical cavity. CRDS can be used to study atoms and molecules in the gas and condensed phase, and is especially powerful for measuring strong absorptions of species present in trace amounts or weak absorptions of abundant species. The technique can be applied in physical, atmospheric, environmental and analytical chemistry, also combustion science, physics, medical diagnostics and biology Cavity Ring-Down Spectroscopy: Techniques and Applications provides a practical overview of this valuable analytical tool, explaining the fundamental concepts and experimental methods, and illustrating important applications. The book presents a complete and methodical approach to the topic and describes: Introductory concepts and basic experimental techniques Useful variants such as continuous wave, phase shift, and broadband CRDS Recent developments in the field, and key applications, for example, spectroscopic studies of transient molecules, monitoring trace amounts of atmospheric species, analysis of exhaled breath in clinical diagnostics, and CRDS under extreme conditions. Designed as both an introductory text and a reference source, this book is relevant for scientists unfamiliar with CRDS who are interested in using the technique in their research, as well as experienced users.
A comprehensive compilation of the available experimental and theoretical vibrational data for organometallic compounds and its role in evaluating the structures, bonding, and properties of these key compounds This unique book offers a thorough review of the literature dealing with vibrational data obtained using various phases, including matrices, reported for organometallic compounds from infrared spectra, Raman spectra, and several other techniques. It is the only one that compiles the available experimental and theoretical vibrational data on these compounds, and which discusses the importance of this information and its role in evaluating structures, bonding, and other important properties. It also treats the use of DFT and other theoretical calculations to analyze the vibrational data and to predict properties associated with these compounds. The book also includes vibrational data for organic species that form on metal and other surfaces. Vibrational Spectra of Organometallics: Theoretical and Experimental Data offers complete coverage of: Carbide, Alkylidyne, Alkylidene, Alkyl, and Alkane Derivatives; Noncyclic Carbon‐Clusters and Unsaturated Hydrocarbon Derivatives; and Cyclic, Unsaturated Organometallic Derivatives. By summarizing work that has already been done on organometallic compounds, it serves as an important reference for those studying their vibrational spectra and will, in the end, lead to a clearer understanding of other research that needs to be done in order to help researchers determine new research directions. An important reference for those studying the vibrational spectra of organometallic compounds Gathers the existing experimental and theoretical vibrational data and discusses its significance in assessing structures, bonding, and other principle properties Includes DFT methods for the interpretation of spectra, which has been one of the major developments of the last two decades Vibrational Spectra of Organometallics: Theoretical and Experimental Data is an important reference for researchers and practitioners in the areas of inorganic, organometallic, organic, and surface chemistry who have an interest in using vibrational data to characterize the bonding, composition, reactions, and structures of organometallic compounds, and organic species that are formed on various surfaces.
Computational spectroscopy is a rapidly evolving field that is becoming a versatile and widespread tool for the assignment of experimental spectra and their interpretation as related to chemical physical effects. This book is devoted to the most significant methodological contributions in the field, and to the computation of IR, UV-VIS, NMR and EPR spectral parameters with reference to the underlying vibronic and environmental effects. Each section starts with a chapter written by an experimental spectroscopist dealing with present challenges in the different fields; comprehensive coverage of conventional and advanced spectroscopic techniques is provided by means of dedicated chapters written by experts. Computational chemists, analytical chemists and spectroscopists, physicists, materials scientists, and graduate students will benefit from this thorough resource.
More than 99% of all visible matter in the universe occurs as highly ionized gas plasma with high energy content. Electrical low- and atmospheric-pressure plasmas are characterized by continuous source of moderate quantities of energy or enthalpy transferred predominantly as kinetic energy of electrons. Therefore, such energetically unbalanced plasmas have low gas temperature but produce sufficient energy for inelastic collisions with atoms and molecules in the gas phase, thus producing reactive species and photons, which are able to initiate all types of polymerizations or activate any surface of low reactive polymers. However, the broadly distributed energies in the plasma exceed partially the binding energies in polymers, thus initiating very often unselective reactions and polymer degradation. The intention of this book is to present new plasma processes and new plasma reactions of high selectivity and high yield. This book aims to bridge classical and plasma chemistry, particularly focusing on polymer chemistry in the bulk and on the surface under plasma exposure. The stability of surface functionalization and the qualitative and quantitative measurement of functional groups at polymer surface are featured prominently, and chemical pathways for suppressing the undesirable side effects of plasma exposure are proposed and illustrated with numerous examples. Special attention is paid to the smooth transition from inanimate polymer surfaces to modified bioactive polymer surfaces. A wide range of techniques, plasma types and applications are demonstrated.
Comprehensive look at mechanical molecular devices that mimic the behavior of man-made devices Molecular devices and molecular machines are individual molecules and molecular systems capable of providing valuable device-like functions. Many of them have distinct conventional prototypes and therefore can be identified as technomimetic molecules. The last decade has seen an increasing rate of practical applications of molecular devices and machines, primarily in biomedical and material science fields. Molecular devices: An Introduction to Technomimetics and its Biological Applications focuses on mechanical molecular devices, including the early set of technomimetic molecules. Topics covered include the many simple molecular devices such as container compounds, gearing systems, belts and tubes, and tweezers. It touches upon each molecular machine and discusses in great detail the importance of their applications as well as the latest progress in the fields of chemistry, physics, and biotechnology. Interdisciplinary: Must-have content for physicists, chemists, and biologists Comprehensive: Details an extensive set of mechanical technomimetic molecular devices Thorough: Starts with the fundamental material characterization and finishes with real-world device application Molecular devices: An Introduction to Technomimetics and its Biological Applications is an important book for graduate students, researchers, scientists, and engineers in the fields of chemistry, materials science, molecular physics, engineering, biotechnology, and molecular medicine.
Helps to develop new perspectives and a deeper understanding of organic chemistry Instructors and students alike have praised Perspectives on Structure and Mechanism in Organic Chemistry because it motivates readers to think about organic chemistry in new and exciting ways. Based on the author's first hand classroom experience, the text uses complementary conceptual models to give new perspectives on the structures and reactions of organic compounds. The first five chapters of the text discuss the structure and bonding of stable molecules and reactive intermediates. These are followed by a chapter exploring the methods that organic chemists use to study reaction mechanisms. The remaining chapters examine different types of acid-base, substitution, addition, elimination, pericyclic, and photochemical reactions. This Second Edition has been thoroughly updated and revised to reflect the latest findings in physical organic chemistry. Moreover, this edition features: New references to the latest primary and review literature More study questions to help readers better understand and apply new concepts in organic chemistry Coverage of new topics, including density functional theory, quantum theory of atoms in molecules, Marcus theory, molecular simulations, effect of solvent on organic reactions, asymmetric induction in nucleophilic additions to carbonyl compounds, and dynamic effects on reaction pathways The nearly 400 problems in the text do more than allow students to test their understanding of the concepts presented in each chapter. They also encourage readers to actively review and evaluate the chemical literature and to develop and defend their own ideas. With its emphasis on complementary models and independent problem-solving, this text is ideal for upper-level undergraduate and graduate courses in organic chemistry.