Applying Maths in the Chemical and Biomolecular Sciences

An Example-based Approach

Author: Godfrey Beddard

Publisher: Oxford University Press

ISBN: 0199230919

Category: Mathematics

Page: 786

View: 978

Applying Maths in the Chemical and Biomolecular Sciences uses an extensive array of examples to demonstrate how mathematics is applied to probe and understand chemical and biological systems. It also embeds the use of software, showing how the application of maths and use of software now go hand-in-hand.

Maths for Chemistry

A Chemist's Toolkit of Calculations

Author: Paul Monk,Lindsey J. Munro

Publisher: Oxford University Press

ISBN: 0199541299

Category: Mathematics

Page: 542

View: 9123

Maths for Chemistry recognizes the challenges faced by many students in equipping themselves with the maths skills needed to gain a full understanding of chemistry, offering a carefully-structured and steadily-paced introduction to the essential mathematical concepts all chemistry students should master.

Molecular Modeling and Simulation

An Interdisciplinary Guide

Author: Tamar Schlick

Publisher: Springer Science & Business Media

ISBN: 0387224645

Category: Science

Page: 635

View: 5429

Very broad overview of the field intended for an interdisciplinary audience; Lively discussion of current challenges written in a colloquial style; Author is a rising star in this discipline; Suitably accessible for beginners and suitably rigorous for experts; Features extensive four-color illustrations; Appendices featuring homework assignments and reading lists complement the material in the main text

Metabolomics, Metabonomics and Metabolite Profiling

Author: William J. Griffiths

Publisher: Royal Society of Chemistry

ISBN: 0854042997

Category: Medical

Page: 323

View: 7563

In this comprehensive resource the Editor draws together experts from the field and provides an insightful introduction into the technology and methodology.

Optimization in Computational Chemistry and Molecular Biology

Local and Global Approaches

Author: Christodoulos A. Floudas,Panos M. Pardalos

Publisher: Springer Science & Business Media

ISBN: 147573218X

Category: Computers

Page: 342

View: 4821

Optimization in Computational Chemistry and Molecular Biology: Local and Global Approaches covers recent developments in optimization techniques for addressing several computational chemistry and biology problems. A tantalizing problem that cuts across the fields of computational chemistry, biology, medicine, engineering and applied mathematics is how proteins fold. Global and local optimization provide a systematic framework of conformational searches for the prediction of three-dimensional protein structures that represent the global minimum free energy, as well as low-energy biomolecular conformations. Each contribution in the book is essentially expository in nature, but of scholarly treatment. The topics covered include advances in local and global optimization approaches for molecular dynamics and modeling, distance geometry, protein folding, molecular structure refinement, protein and drug design, and molecular and peptide docking. Audience: The book is addressed not only to researchers in mathematical programming, but to all scientists in various disciplines who use optimization methods in solving problems in computational chemistry and biology.

Tools and Techniques in Biomolecular Science

Author: Aysha Divan,Janice Royds

Publisher: Oxford University Press

ISBN: 0199695563

Category: Science

Page: 512

View: 2240

Tools and Techniques in the Biomolecular Sciences reviews a broad range of modern technologies, explaining the theoretical principles of each technology, their applications and limitations, and how to understand and analyse the data a particular technique generates.

Thermodynamics and kinetics for the biological sciences

Author: Gordon G. Hammes

Publisher: N.A

ISBN: 9780471374916

Category: Science

Page: 163

View: 3553

Gain a working knowledge of thermodynamics and kinetics with a minimum of mathematics-a guide for individuals in the biological sciences An understanding of thermodynamics and kinetics is essential for researchers investigating molecular phenomena in diverse disciplines, including bioorganic chemistry, medicinal chemistry, biochemistry, pharmaceuticals, and biology. The use of these physical chemistry tools in the biological sciences has exploded over the past fifteen years, but the majority of works on thermodynamics and kinetics require mathematical expertise beyond that of many researchers in the field. Presenting a highly accessible introduction to thermodynamics and kinetics, Thermodynamics and Kinetics for the Biological Sciences employs a minimum of mathematics, assuming only a basic calculus background, while treating a wide range of topics in a logical and easy-to-follow style. All principles and concepts are clearly illustrated through the use of relevant applications and examples from the biological sciences, and explanations are further enhanced with problems and up-to-date references. Written by a world-renowned authority on biochemical kinetics, this remarkable book also features an easy-to-understand statistical development of entropy and a more extensive coverage of chemical kinetics and ligand binding to macromolecules than is usually found in books of this kind. Readers will acquire a working knowledge of thermodynamics and kinetics that they can readily apply to biological systems and use for exploring the scientific literature.

Occupational Outlook Handbook 2009

Author: U. S. Department of Labor

Publisher: Skyhorse Publishing Inc.

ISBN: 1602393206

Category: Business & Economics

Page: 890

View: 9071

A directory for up-and-coming jobs in the near-future employment market includes recommendations for finding or advancing a career and draws on statistics from the U.S. Department of Labor, in a guide that includes coverage of more than 250 occupations. Original.

Principles of Cellular Engineering

Understanding the Biomolecular Interface

Author: Michael R. King

Publisher: Elsevier

ISBN: 9780080539638

Category: Science

Page: 320

View: 6499

This comprehensive work discusses novel biomolecular surfaces that have been engineered to either control or measure cell function at the atomic, molecular, and cellular levels. Each chapter presents real results, concepts, and expert perspectives of how cells interact with biomolecular surfaces, with particular emphasis on interactions within complex mechanical environments such as in the cardiovascular system. In addition, the book provides detailed coverage of inflammation and cellular immune response as a useful model for how engineering concepts and tools may be effectively applied to complex systems in biomedicine. -Accessible to biologists looking for new ways to model their results and engineers interested in biomedical applications -Useful to researchers in biomaterials, inflammation, and vascular biology -Excellent resource for graduate students as a textbook in cell & tissue engineering or cell mechanics courses

Variational Methods in Molecular Modeling

Author: Jianzhong Wu

Publisher: Springer

ISBN: 9811025029

Category: Technology & Engineering

Page: 324

View: 9275

This book presents tutorial overviews for many applications of variational methods to molecular modeling. Topics discussed include the Gibbs-Bogoliubov-Feynman variational principle, square-gradient models, classical density functional theories, self-consistent-field theories, phase-field methods, Ginzburg-Landau and Helfrich-type phenomenological models, dynamical density functional theory, and variational Monte Carlo methods. Illustrative examples are given to facilitate understanding of the basic concepts and quantitative prediction of the properties and rich behavior of diverse many-body systems ranging from inhomogeneous fluids, electrolytes and ionic liquids in micropores, colloidal dispersions, liquid crystals, polymer blends, lipid membranes, microemulsions, magnetic materials and high-temperature superconductors. All chapters are written by leading experts in the field and illustrated with tutorial examples for their practical applications to specific subjects. With emphasis placed on physical understanding rather than on rigorous mathematical derivations, the content is accessible to graduate students and researchers in the broad areas of materials science and engineering, chemistry, chemical and biomolecular engineering, applied mathematics, condensed-matter physics, without specific training in theoretical physics or calculus of variations.

Essential Computational Modeling in Chemistry

Author: Philippe G. Ciarlet

Publisher: Elsevier

ISBN: 9780444537614

Category: Science

Page: 400

View: 7272

Essential Computational Modeling in Chemistry presents key contributions selected from the volume in the Handbook of Numerical Analysis: Computational Modeling in Chemistry Vol. 10(2005). Computational Modeling is an active field of scientific computing at the crossroads between Physics, Chemistry, Applied Mathematics and Computer Science. Sophisticated mathematical models are increasingly complex and extensive computer simulations are on the rise. Numerical Analysis and scientific software have emerged as essential steps for validating mathematical models and simulations based on these models. This guide provides a quick reference of computational methods for use in understanding chemical reactions and how to control them. By demonstrating various computational methods in research, scientists can predict such things as molecular properties. The reference offers a number of techniques and the numerical analysis needed to perform rigorously founded computations. Various viewpoints of methods and applications are available for researchers to chose and experiment with; Numerical analysis and open problems is useful for experimentation; Most commonly used models and techniques for the molecular case is quickly accessible

Mathematical Research in Materials Science

Opportunities and Perspectives

Author: Committee on Mathematical Sciences Applied to Materials Science,Commission on Physical Sciences, Mathematics, and Applications,Division on Engineering and Physical Sciences,National Research Council

Publisher: National Academies Press

ISBN: 0309585651

Category: Technology & Engineering

Page: 126

View: 867

This book describes fruitful past collaborations between the mathematical and materials sciences and indicates future challenges. It seeks both to encourage mathematical sciences research that will complement vital research in materials science and to raise awareness of the value of quantitative methods. The volume encourages both communities to increase cross-disciplinary collaborations, emphasizing that each has much to gain from such an increase, and it presents recommendations for facilitating such work. This book is written for both mathematical and materials science researchers interested in advancing research at this interface; for federal and state agency representatives interested in encouraging such collaborations; and for anyone wanting information on how such cross-disciplinary, collaborative efforts can be accomplished successfully.

Essentials of Micro- and Nanofluidics

With Applications to the Biological and Chemical Sciences

Author: A. Terrence Conlisk

Publisher: Cambridge University Press

ISBN: 0521881684

Category: Science

Page: 537

View: 8189

This book introduces students to the basic physical principles to analyze fluid flow in micro and nano-size devices. This is the first book that unifies the thermal sciences with electrostatics and electrokinetics and colloid science; electrochemistry; and molecular biology. The author discusses key concepts and principles, such as the essentials of viscous flows, an introduction to electrochemistry, heat and mass transfer phenomena, elements of molecular and cell biology, and much more. This textbook presents state-of-the-art analytical and computational approaches to problems in all of these areas, especially electrokinetic flows, and gives examples of the use of these disciplines to design devices used for rapid molecular analysis, biochemical sensing, drug delivery, DNA analysis, the design of an artificial kidney, and other transport phenomena. This textbook includes exercise problems, modern examples of the applications of these sciences, and a solutions manual available to qualified instructors.

The Use and Storage of Methyl Isocyanate (MIC) at Bayer CropScience

Author: National Research Council,Division on Earth and Life Studies,Board on Chemical Sciences and Technology,Committee on Inherently Safer Chemical Processes: The Use of Methyl Isocyanate (MIC) at Bayer CropScience

Publisher: National Academies Press

ISBN: 0309255465

Category: Science

Page: 218

View: 6726

The use of hazardous chemicals such as methyl isocyanate can be a significant concern to the residents of communities adjacent to chemical facilities, but is often an integral part of the chemical manufacturing process. In order to ensure that chemical manufacturing takes place in a manner that is safe for workers, members of the local community, and the environment, the philosophy of inherently safer processing can be used to identify opportunities to eliminate or reduce the hazards associated with chemical processing. However, the concepts of inherently safer process analysis have not yet been adopted in all chemical manufacturing plants. The Use and Storage of Methyl Isocyanate (MIC) at Bayer CropScience presents a possible framework to help plant managers choose between alternative processing options-considering factors such as environmental impact and product yield as well as safety- to develop a chemical manufacturing system. In 2008, an explosion at the Bayer CropScience chemical production plant in Institute, West Virginia, resulted in the deaths of two employees, a fire within the production unit, and extensive damage to nearby structures. The accident drew renewed attention to the fact that the Bayer facility manufactured and stores methyl isocyanate, or MIC - a volatile, highly toxic chemical used in the production of carbamate pesticides and the agent responsible for thousands of death in Bhopal, India, in 1984. In the Institute accident, debris from the blast hit the shield surrounding a MIC storage tank, and although the container was not damaged, an investigation by the U.S. Chemical Safety and Hazard Investigation Board found that the debris could have struck a relief valve vent pipe and cause the release of MIC to the atmosphere. The Board's investigation also highlighted a number of weaknesses in the Bayer facility's emergency response systems. In light of these concerns, the Board requested the National Research Council convene a committee of independent experts to write a report that examines the use and storage of MIC at the Bayer facility. The Use and Storage of Methyl Isocyanate (MIC) at Bayer CropScience also evaluates the analyses on alternative production methods for MIC and carbamate pesticides preformed by Bayer and the previous owners of the facility.

Drops and Bubbles in Contact with Solid Surfaces

Author: Michele Ferrari,Libero Liggieri,Reinhard Miller

Publisher: CRC Press

ISBN: 146658372X

Category: Science

Page: 350

View: 7822

The third volume in a series dedicated to colloids and interfaces, Drops and Bubbles in Contact with Solid Surfaces presents an up-to-date overview of the fundamentals and applications of drops and bubbles and their interaction with solid surfaces. The chapters cover the theoretical and experimental aspects of wetting and wettability, liquid–solid interfacial properties, and spreading dynamics on different surfaces, including a special section on polymers. The book examines issues related to interpretation of contact angle from nano to macro systems. Expert contributors discuss interesting peculiarities, such as the phenomena of super-spreading and super-hydrophobicity. They discuss specific solid surfaces—for example, reactions and wetting of liquid metals at high temperatures—and the interaction between nano-bubbles at solid surface and nano-particles at liquid interfaces. The book also includes a chapter on electro-wetting. Given the range of topics covered in this volume, the state-of-art content is useful to readers looking for an introductory overview as well as those looking for in-depth exploration of material related to the interaction of fluids with solid surfaces. It is a valuable contribution to the field of characterization of solid surfaces and can be used as a working tool or to stimulate further study for researchers and students.

Biotechnology for Waste Management and Site Restoration

Technological, Educational, Business, Political Aspects

Author: C. Ronneau,O. Bitchaeva

Publisher: Springer Science & Business Media

ISBN: 9400914679

Category: Nature

Page: 248

View: 8842

Biotechnology for Waste Management and Site Restoration covers: waste management - solid, gaseous, liquid; site restoration - radioactivity, organics, toxic metals; educational, economic, social and business aspects; and international collaboration. International collaboration is growing apace and many concrete projects have been started. The body of knowledge is growing. Over the long term, it is envisaged that this international collaboration will result in a long-term scientific and technological strategy, new technologies and alternative solutions, and practical implementations of biotechnology for the nuclear and industrial sectors of the economy.

Dermatokinetics of Therapeutic Agents

Author: S. Narasimha Murthy

Publisher: CRC Press

ISBN: 1439804788

Category: Medical

Page: 228

View: 4143

Novel drug delivery technologies strive to bypass challenging biological layers to elicit desired pharmacological activity. The skin, one of our key defensive barriers, allows certain topically applied substances and toxins to pass. The dermatokinetics of a drug determines the efficacy of treatment of skin disorders. Presenting the first comprehensive reference on this important area of research, Dermatokinetics of Therapeutic Agents includes a general overview of the theoretical as well as practical aspects of dermatokinetics and addresses the impact of a drug delivery system on the dermatokinetics of drugs. Chapters and illustrations cover introductory aspects and the significance, methods, and models used in dermatokinetic studies of therapeutic agents. Topics include: Theoretical Models for Dermatokinetics of Therapeutic Agents Drug Delivery Approaches to Modulate Dermatokinetics of Drugs Conventional Methods of Cutaneous Drug Sampling Cutaneous Microdialysis Sampling Substrates by Skin Permeabilization Spectroscopic Techniques in Dermatokinetics Studies Regulatory Perspective of Dermatokinetic Studies