When, forty years ago, as a student of Charles Coulson in Oxford I began work in theoretical chemistry, I was provided with a Brunsviga calculator-a small mechanical device with a handle for propulsion, metal levers for setting the numbers, and a bell that rang to indicate overflow. What has since come to be known as computational chemistry was just beginning. There followed a long period in which the fundamental theory of the "golden age" (1925-1935) was extended and refined and in which the dreams of the early practitioners were gradually turned into hard arithmetic reality. As a still-computing survivor from the early postwar days now enjoying the benefits of unbelievably improved hardware, I am glad to contribute a foreword to this series and to have the opportunity of providing a little historical perspective. After the Brunsviga came the electromechanical machines of the late 1940s and early 1950s, and a great reduction in the burden of calculating molecular wavefunctions. We were now happy. At least for systems con taining a few electrons it was possible to make fully ab initio calculations, even though semiempirical models remained indispensable for most molecules of everyday interest. The 1950 papers of Hall and of Roothaan represented an important milestone along the road to larger-scale non empirical calculations, extending the prewar work of Hartree and Fock from many-electron atoms to many-electron molecules-and thus into "real chemistry."

There is probably no woman scientist more famous than Marie Curie (1867-1934). She made one of the most important theoretical breakthroughs of the twentieth century when she postulated that radiation was an atomic rather than a chemical property, an important milestone in understanding the structure of matter. Not only did she coin the term radioactivity, but her painstaking research culminated in the isolation of two new elements, polonium and radium. For her achievements she won two Nobel Prizes, one in physics (in 1903) and the other in chemistry (in 1911). This informative, accessible, and concise biography looks at Marie Curie not just as a dedicated scientist but also as a complex woman with a sometimes-tumultuous personal life. This historian of science describes Curie's life and career, from her early years in Poland, where she was born Maria Sklodowska; through her marriage to and collaboration with Pierre Curie; her appointment as the first female professor at Sorbonne University after his untimely death; and the scientific work that led to her recognition by the Nobel Prize committee. The author also candidly discusses the controversy that surrounded Marie when detractors charged that her work was actually performed by her late husband. Finally, she describes Curie's work in founding the radium institutes to study radiation and in establishing mobile X-ray units during World War I. Eventually, her long exposure to radium led to her death from aplastic anemia in 1934. A year later, Albert Einstein published a tribute to her in memoriam, praising both her intuition and her tenacity under the most trying circumstances.
Ogilvie's appealing narrative brings the brilliant scientist and courageous woman to life in a story that will continue to inspire future scientists.

The book provides an introduction to nanostructured materials and guides the reader through their different engineering applications. It gives an overview of nanostructured materials applied in the fields of physics, chemistry, biology, medicine, and materials science. Materials for different applications in engineering such as those used in opto-electronics, energy, tribology, bio-applications, catalysis, reinforcement and many more have been described in this book. The book will be of interest to researchers and students who want to learn about applications of nanostructured materials in engineering.

Over the past decade high performance computing has demonstrated the ability to model and predict accurately a wide range of physical properties and phenomena. Many of these have had an important impact in contributing to wealth creation and improving the quality of life through the development of new products and processes with greater efficacy, efficiency or reduced harmful side effects, and in contributing to our ability to understand and describe the world around us. Following a survey ofthe U.K.'s urgent need for a supercomputingfacility for aca demic research (see next chapter), a 256-processor T3D system from Cray Research Inc. went into operation at the University of Edinburgh in the summer of 1994. The High Performance Computing Initiative, HPCI, was established in November 1994 to support and ensure the efficient and effective exploitation of the T3D (and future gen erations of HPC systems) by a number of consortia working in the "frontier" areas of computational research. The Cray T3D, now comprising 512 processors and total of 32 CB memory, represented a very significant increase in computing power, allowing simulations to move forward on a number offronts. The three-fold aims of the HPCI may be summarised as follows; (1) to seek and maintain a world class position incomputational scienceand engineering, (2) to support and promote exploitation of HPC in industry, commerce and business, and (3) to support education and training in HPC and its application."

Research in the field of histamine receptors over the past 100 years went hand-in-hand with the development of modern pharmacology. Advances in histamine research led by outstanding scientists was so incisive that the clinical approach to treat allergies and gastrointestinal ailments was revolutionized. The pharmacological treatment of peptic ulcer and gastroesophageal reflux was indeed a revolution, as it ended the surgical intervention. Interest in histamine pharmacology was resurrected by the discovery of another histamine receptor, number 4, using genomics-based reverse pharmacological approaches for screening orphan GPCRs. This receptor is preferentially expressed by immune cells and its discovery raised hopes for its translational exploitation as a new therapeutic target for unmet medical needs ranging from asthma to cancer. However, several drawbacks emerged and dramatically slowed down research in the field. A better understanding of receptor intra-and interspecies heterogeneity will certainly improve and accelerate the translation of experimental data into clinical practice. Also, the plethora of data on brain histamine is hinting at a fundamental role of this system as a hub that receives internal and peripheral stimuli to allocate the necessary excitation to specific brain circuits that preside the appropriate behavioral responses. The development of new histaminergic ligands is an ongoing process that constantly provide new preclinical tools. The aim of this book is to cover the most important aspects of histamine receptor function and pharmacology in the central nervous system and to provide a comprehensive overview of the preclinical and clinical advances made in recent decades and the exciting prospects for the future. It highlights the clinical areas where there is a great need for new therapeutic approaches and where novel histaminergic agents may be useful for personalized medicine.

This book discusses advancements in the applications of nanoparticles in tissue engineering. It examines the applications of nanobiomaterials in hard tissue regeneration, fabrication, and characterization. The book also analyzes the implication of three-dimensional and four-dimensional fabrication techniques for the production of the scaffold in tissue engineering and their advantages over conventional scaffold production techniques. Further, it presents smart materials used in making 4-D scaffolds that imitate the dynamic response of tissue against natural stimuli and adapt to the microenvironment by changing their conformation or other properties. It also summarizes the growing field of biomolecular detection and biosensors in tissue engineering and the increasing prominence of nanoparticles in the biosensors. Further, it provides the future outlook and associated challenges of the application of nanomaterials in tissue engineering.

This detailed volume explores poly(ADP-ribose) polymerases (PARPs) in the biology of eukaryotes and their relevance to human health. Beginning with a section on the detection and quantification of poly(ADP-ribose) polymer (pADPr), the book continues by delving into the identification of protein targets, functional analysis, the poly(ADP-ribosyl)ating pathway in chromatin and genes expression, as well as the use of animal models and PARP1 inhibitor design and testing, and more. Written for the highly successful Methods in Molecular Biology series, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step and readily reproducible laboratory protocols, and tips on troubleshooting and avoiding known pitfalls. Authoritative and up-to-date, Poly(ADP-Ribose) Polymerase: Methods and Protocols, Third Edition presents essential new and classical methods for studying the pADPr-pathway.

Presents opportunities for making significant improvements in preventing harmful effects that can be caused by corrosion Describes concepts of molecular modeling in the context of materials corrosion Includes recent examples of applications of molecular modeling to corrosion phenomena throughout the text Details how molecular modeling can give insights into the multitude of interconnected and complex processes that comprise the corrosion of metals Covered applications include diffusion and electron transfer at metal/electrolyte interfaces, Monte Carlo simulations of corrosion, corrosion inhibition, interrogating surface chemistry, and properties of passive films Presents current challenges and likely developments in this field for the future

Agricultural soils are subjected to many applied mechanical stresses that influence their behavior. Stresses arise from tillage machines, seeders and chemicals applicators, tractors, and equipment for harvest and transport. Applied stresses may compact or loosen the bulk soil. Micro sections of soil (aggregates or clods) may be compacted during tillage while the bulk soil is loosened. Because most granular soils are combined into structural units of varying sizes with different strengths and properties, prediction of the effect of stresses on the behavior of bulk soils is difficult. The basic strength properties of soil are determined by many fac tors: the size distribution of particles, chemical and mineralogical properties of inorganic clay fraction, the organic matter content and composition, the water content and the stress history. These factors combine and interact to produce many possible behavior patterns. Changes in structure of the soil from applied stresses and biologi cal reactions may profoundly influence storage and transmission of water, heat, and air, and the mechanical resistance to penetration by plant roots. They may also affect the traction of vehicles. Manipulation of structural properties of soils by tillage implements is a major cost under most crop production systems. Reduced energy use is also a significant conservation objective. Improved management systems are very dependent upon a better understanding of soils' response to applied stresses. The content of this book resulted from a NATO Advanced Research Workshop held in St. Paul, Minnesota, U.S.A. September 13-16, 1988."

Although the title of this book is Paper Chemistry, it should be considered as a text about the chemistry of the formation of paper from aqueous suspensions of fibre and other additives, rather than as a book about the chemistry of the raw material itself. It is the subject of what papermakers call wet-end chemistry. There are many other excellent texts on the chemistry of cellulose and apart from one chapter on the accessibility of cellulose, the subject is not addressed here. Neither does the book deal with the chemistry of pulp preparation (from wood, from other plant sources or from recycled fibres), for there are also many excellent texts on this subject. The first edition of this book was a great success and soon became established as one of the Bibles of the industry. Its achievement then was to collect the considerable advances in understanding which had been made in the chemistry of papermaking in previous years, and provide, for the first time, a sound physico chemical basis of the subject. This new edition has been thoroughly updated with much new material added. The formation of paper is a continuous filtration process in which cellulosic fibres are formed into a network which is then pressed and dried. The important chemistry involved in this process is firstly the retention of col loidal material during filtration and secondly the modification of fibre and sheet properties so as to widen the scope for the use of paper and board products."

This unique book bridges the gap between toxicology and chemistry at a level understandable by a wide spectrum of readers with various interests and a broad range of backgrounds in chemistry, biochemistry, and toxicology. The third edition has been thoroughly updated and expanded to reflect recent advances in important areas of research, including toxicogenetics and toxic effects on various body systems. Toxicological Chemistry and Biochemistry, Third Edition begins by outlining the basic concepts of general chemistry, organic chemistry, and biochemistry needed to understand the topics in the book. The author then presents an overview of environmental chemistry so that you can understand the remainder of the material covered within that framework. He also discusses biodegradation, bioaccumulation, and biochemical processes that occur in water and soil.

The new chapter on toxic effects considers toxicities to the endocrine and reproductive systems, and the section on xenobiotics analysis deals with the determination of toxicants and their metabolites in blood and other biological materials. The chapter on the genetic aspects of toxicology discusses the ways in which chemical damage to DNA can cause mutations, cancer, and other toxic effects on specific body systems, and it considers the role of genetics in determining individual susceptibilities to various toxicants.

Toxicological Chemistry and Biochemistry, Third Edition retains the basic information and structure that made the first two editions popular with students and industry professionals, while enhancing the usefulness of the book and modernizing it in important areas. Review questions and supplementary references at the end of each chapter round out the third edition of this bestselling work.

This book represents a collection of papers presented at the 4th International Symposium on Analysis and Detection of Explosives held at the Mitzpeh Rachel Kibbutz Guesthouse in Jerusalem, September 7 to 10, 1992. The Symposium was attended by 150 participants from 20 countries and 50 lectures were given including 4 invited keynote lectures. The purpose of the Symposium, as the previous Symposia, was to present and to discuss new approaches, new applications, new methods and techniques in analysis and detection of explosives. The Symposium was, according to the feedback received from many participants, very successful and met the anticipated expectations. New collaborative initiatives between various laboratories from different countries were formed, which is a necessity in our common goals of law enforcement, aviation security and environmental quality, issues which are closely related to the analysis of explosives. I would like to extend my thanks to the Weizmann Institute of Science and the Israel National Police for sponsoring the Symposium, to the contributing Institutions and Agencies for making this Symposium financially possible, and to the members of the International Committee for helpful advice. I am most thankful to my colleagues from the Organizing Committee, especially Dr. Joseph Almog and Dr. Shmuel Zitrin from the Israel National Police, for helping in the organization of this Symposium.

This book presents critical reviews of the present position and future trends in modern chemical research. It provides short and concise reports on chemistry, each written by the world renowned experts. The information remains valid and useful after 5 or 10 years. More information, as well as the electronic version of the whole content, is available at: springerlink.com.

This book addresses to the materials scientists, physicists, chemists, biologists, and electrical engineers engaged in fundamental and applied research or technical investigations on such materials. The goal of the International Symposium on Dielectric Materials and Applications conference series is to provide an innovative platform for key researchers, scientists from all over the world to exchange ideas and to hold wide ranging discussions on recent developments in dielectric materials and their new and emerging applications. The aim of ISyDMA meeting is to provide an international forum for the discussion of current research on high k-dielectric, electrical insulation, dielectric phenomena, and topics related to emerging applications.

"Practical Aspects of Computational Chemistry I: An Overview of the Last Two Decades and Current Trends" gathers the advances made within the last 20 years by well-known experts in the area of theoretical and computational chemistry and physics. The title itself reflects the celebration of the twentieth anniversary of the Conference on Current Trends in Computational Chemistry (CCTCC) to which all authors have participated and contributed to its success.

This volume poses (and answers) important questions of interest to the computational chemistry community and beyond. What is the historical background of the Structural Chemistry ? Is there any way to avoid the problem of intruder state in the multi-reference formulation? What is the recent progress on multi-reference coupled cluster theory? Starting with a historical account of structural chemistry, the book focuses on the recent advances made in promising theories such as many body Brillouin-Wigner theory, multireference state-specific coupled cluster theory, relativistic effect in chemistry, linear and nonlinear optical properties of molecules, solution to Kohn-Sham problem, electronic structure of solid state materials, development of model core potential, quantum Monte Carlo method, nano and molecular electronics, dynamics of photodimerization and excited states, intermolecular interactions, hydrogen bonding and non-hydrogen bonding interactions, conformational flexibility, metal cations in zeolite catalyst and interaction of nucleic acid bases with minerals.

"Practical Aspects of Computational Chemistry I: An Overview of the Last Two Decades and Current Trends" is aimed at theoretical and computational chemists, physical chemists, materials scientists, and particularly those who are eager to apply computational chemistry methods to problem of chemical and physical importance. This book will provide valuable information to undergraduate, graduate, and PhD students as well as to established researchers."

Nanorobotics and Nanodiagnostics in Integrative Biology and Biomedicine "Nanorobotics and nanodiagnostics" can be defined as a new generation of biohybrid and nanorobotics that translate fundamental biological principles into engineering design rules, or integrative living components into synthetic structures to create biorobots and nanodiagnotics that perform like natural systems. Nanorobots or nanobots are structured of a nanoscale made of individual assemblies. They can be termed as intelligent systems manufactured with self-assembly strategies by chemical, physical and biological approaches. The nanorobot can determine the structure and enhance the adaptability to the environment in interdisciplinary tasks. "Nanorobotics and nanodiagnostics" is a new generation of biohybrid that translates fundamental biological principles into engineering design rules to create biorobots that perform like natural systems. These biorobotics and diagnostics can now perform various missions to be accomplished certain tasks in the research areas such as integrative biology and biomedicine. "Nanorobotics and Nanodiagnostics in Integrative Biology and Biomedicine" sheds light on a comprehensive overview of the multidisciplinary areas that explore nanotherapeutics and nanorobotic manipulation in biology and medicine. It provides up-to-date knowledge of the promising fields of integrative biology and biomedicine for nano-assisted biorobotics and diagnostics to detect and treat diseases that will enable new scientific discoveries.