COSMO-RS

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Publisher : Elsevier
ISBN 13 : 0080455530
Total Pages : 247 pages
Book Rating : 4.0/5 (84 download)

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Book Synopsis COSMO-RS by : Andreas Klamt

Download or read book COSMO-RS written by Andreas Klamt and published by Elsevier. This book was released on 2005-07-26 with total page 247 pages. Available in PDF, EPUB and Kindle. Book excerpt: The COSMO-RS technique is a novel method for predicting the thermodynamic properties of pure and mixed fluids which are important in many areas, ranging from chemical engineering to drug design. COSMO-RS, From Quantum Chemistry to Fluid Phase Thermodynamics and Drug Design is about this novel technology, which has recently proven to be the most reliable and efficient tool for the prediction of vapour-liquid equilibria. In contrast to group contribution methods, which depend on an extremely large number of experimental data, COSMO-RS calculates the thermodynamic data from molecular surface polarity distributions, resulting from quantum chemical calculations of the individual compounds in the mixture. In this book, the author cleverly combines a vivid overview of the partly demanding theoretical steps with a deeper analysis of their scientific background and justification. Aimed at theoretical chemists, computational chemists, physical chemists, chemical engineers, thermodynamicists as well as students,academic and industrial experts, COSMO-RS, From Quantum Chemistry to Fluid Phase Thermodynamics and Drug Design provides a novel viewpoint to anyone looking to gain more insight into the theory and potential of the unique method, COSMO-RS. - The only book currently available on COSMO-RS technique - Provides a novel viewpoint for the scientific understanding and for the practical quantitative treatment of fluid phase thermodynamics - Includes illustrative examples of the COSMOtherm program

Ionic Liquids UnCOILed

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Publisher : John Wiley & Sons
ISBN 13 : 1118435001
Total Pages : 348 pages
Book Rating : 4.1/5 (184 download)

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Book Synopsis Ionic Liquids UnCOILed by : Kenneth R. Seddon

Download or read book Ionic Liquids UnCOILed written by Kenneth R. Seddon and published by John Wiley & Sons. This book was released on 2012-10-26 with total page 348 pages. Available in PDF, EPUB and Kindle. Book excerpt: Ionic Liquids UnCOILed presents decisively important reviews on new processes and recent developments in ionic liquid technology with an emphasis on commercial applications in which ionic liquids are replacing, or may replace, processes currently using conventional solvents. Ranging from applied to theoretical, synthetic to analytical, and biotechnological to electrochemical, the book features eleven chapters written by an international group of key academic and industrial chemists, exercising the judicious evaluation which they are uniquely qualified to do. This book is a must for R&D chemists in industrial, governmental and academic laboratories, and for commercial developers of environmentally-friendly, sustainable processes.

Multimedia Environmental Models

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Publisher : CRC Press
ISBN 13 : 1000094995
Total Pages : 303 pages
Book Rating : 4.0/5 ( download)

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Book Synopsis Multimedia Environmental Models by : J. Mark Parnis

Download or read book Multimedia Environmental Models written by J. Mark Parnis and published by CRC Press. This book was released on 2020-09-07 with total page 303 pages. Available in PDF, EPUB and Kindle. Book excerpt: Multimedia Environmental Models: The Fugacity Approach, Third Edition, takes a broad approach of viewing chemical behavior in the total biosphere of connected biotic and abiotic compartments. Chemicals are subject to the laws of "mass balance," a constraint that provides the opportunity to establish quantitative expressions for chemical fate that are central to chemical management and regulatory legislation. This book employs both the conventional concentration-based procedures and those based on application of the more elegant and powerful concept of fugacity to characterize equilibrium, steady-state distribution, and time-dependent transport between environmental phases such as air, water, and soil. Organic chemicals are emphasized because they are more easily generalized when assessing environmental behavior. Features Illustrates professional approaches to calculating the fate of chemicals in the environment Explicitly details all worked examples in an annotated step-by-step fashion Presents real-life freely downloadable models of use to government, industry, and private consulting professionals and students alike Clarifies symbols and notation

Applied Thermodynamics of Fluids

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Publisher : Royal Society of Chemistry
ISBN 13 : 1847558062
Total Pages : 535 pages
Book Rating : 4.8/5 (475 download)

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Book Synopsis Applied Thermodynamics of Fluids by : A. R. H. Goodwin

Download or read book Applied Thermodynamics of Fluids written by A. R. H. Goodwin and published by Royal Society of Chemistry. This book was released on 2010 with total page 535 pages. Available in PDF, EPUB and Kindle. Book excerpt: Published under the asspices of both IUPAC and its affiliated body, the International Association of Chemical Thermodynamics (IACT), this book will serve as a guide to scientists or technicians who use equations of state for fluids. Concentrating on the application of theory, the practical use of each type of equation is discussed and the strengths and weaknesses of each are addressed. It includes material on the equations of state for chemically reacting and non-equilibrium fluids which have undergone significant developments and brings up to date the equations of state for fluids and fluid mixtures. Applied Thermodynamics of Fluids addresses the need of practitioners within academia, government and industry by assembling an international team of distinguished experts to provide each chapter. The topics presented in the book are important to the energy business, particularly the hydroncarbon economy and the development of new power sources and are also significant for the application of liquid crystals and ionic liquids to commericial products. This reference will be useful for post graduate researchers in the fields of chemical engineering, mechanical engineering, chemistry and physics.

Molten Salts and Ionic Liquids

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Publisher : John Wiley & Sons
ISBN 13 : 0470947764
Total Pages : 466 pages
Book Rating : 4.4/5 (79 download)

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Book Synopsis Molten Salts and Ionic Liquids by : Marcelle Gaune-Escard

Download or read book Molten Salts and Ionic Liquids written by Marcelle Gaune-Escard and published by John Wiley & Sons. This book was released on 2012-07-06 with total page 466 pages. Available in PDF, EPUB and Kindle. Book excerpt: For many years, the related fields of molten salts and ionic liquids have drifted apart, to their mutual detriment. Both molten salts and ionic liquids are liquid salts containing only ions - all that is different is the temperature! Both fields involve the study of Coulombic fluids for academic and industrial purposes; both employ the same principles; both require skilled practitioners; both speak the same language; all then that is truly different is their semantics, and how superficial is that? The editors of this book, recognising that there was so much knowledge, both empirical and theoretical, which can be passed from the molten salt community to the ionic liquid community, and vice versa, organised a landmark meeting in Tunisia, designed to bridge the gap and heal the rift. Leaders from both communities met for a week for a mutual exchange, with a high tutorial content intermixed with cutting edge findings. This volume is a condensate of the principal offerings of that week, and emphasises the success which was achieved. Indeed, four future biannual meetings, under the title of “EUCHEM Conferences on Molten Salts and Ionic Liquids”, have now been planned as a direct result of this meeting of minds. Topics discussed in this volume include structure, dynamics, electrochemistry, interfacial and thermodynamic properties, spectroscopy, synthesis, and theoretical studies. Experimental and theoretical methods for investigating these data are elaborated, as are techniques for data collection and analysis. This book represents the first serious discussion on the transfer of these methods and techniques between the differing temperature regimes, and is a major contribution to the future of both fields.

Comprehensive Medicinal Chemistry III

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Publisher : Elsevier
ISBN 13 : 0128032014
Total Pages : 4609 pages
Book Rating : 4.1/5 (28 download)

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Book Synopsis Comprehensive Medicinal Chemistry III by :

Download or read book Comprehensive Medicinal Chemistry III written by and published by Elsevier. This book was released on 2017-06-03 with total page 4609 pages. Available in PDF, EPUB and Kindle. Book excerpt: Comprehensive Medicinal Chemistry III, Eight Volume Set provides a contemporary and forward-looking critical analysis and summary of recent developments, emerging trends, and recently identified new areas where medicinal chemistry is having an impact. The discipline of medicinal chemistry continues to evolve as it adapts to new opportunities and strives to solve new challenges. These include drug targeting, biomolecular therapeutics, development of chemical biology tools, data collection and analysis, in silico models as predictors for biological properties, identification and validation of new targets, approaches to quantify target engagement, new methods for synthesis of drug candidates such as green chemistry, development of novel scaffolds for drug discovery, and the role of regulatory agencies in drug discovery. Reviews the strategies, technologies, principles, and applications of modern medicinal chemistry Provides a global and current perspective of today's drug discovery process and discusses the major therapeutic classes and targets Includes a unique collection of case studies and personal assays reviewing the discovery and development of key drugs

Tools for Green Chemistry, Volume 10

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Publisher : John Wiley & Sons
ISBN 13 : 3527695680
Total Pages : 336 pages
Book Rating : 4.5/5 (276 download)

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Book Synopsis Tools for Green Chemistry, Volume 10 by : Evan S. Beach

Download or read book Tools for Green Chemistry, Volume 10 written by Evan S. Beach and published by John Wiley & Sons. This book was released on 2017-06-12 with total page 336 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volume 10 in the Handbook of Green Chemistry series provides useful and practical tools, databases, and laboratory approaches to support chemists working in both academia and industry in achieving their green chemistry goals. Among many other helpful techniques covered, the authors offer prediction software, life cycle assessment methodology, and screening tools.

Computational Pharmaceutical Solid State Chemistry

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Publisher : John Wiley & Sons
ISBN 13 : 1119229170
Total Pages : 468 pages
Book Rating : 4.1/5 (192 download)

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Book Synopsis Computational Pharmaceutical Solid State Chemistry by : Yuriy A. Abramov

Download or read book Computational Pharmaceutical Solid State Chemistry written by Yuriy A. Abramov and published by John Wiley & Sons. This book was released on 2016-04-27 with total page 468 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is the first to combine computational material science and modeling of molecular solid states for pharmaceutical industry applications. • Provides descriptive and applied state-of-the-art computational approaches and workflows to guide pharmaceutical solid state chemistry experiments and to support/troubleshoot API solid state selection • Includes real industrial case examples related to application of modeling methods in problem solving • Useful as a supplementary reference/text for undergraduate, graduate and postgraduate students in computational chemistry, pharmaceutical and biotech sciences, and materials science

Computational Chemistry

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Publisher : Springer Nature
ISBN 13 : 3031514432
Total Pages : 757 pages
Book Rating : 4.0/5 (315 download)

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Book Synopsis Computational Chemistry by : Errol G. Lewars

Download or read book Computational Chemistry written by Errol G. Lewars and published by Springer Nature. This book was released on with total page 757 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Green Extraction of Natural Products

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Publisher : John Wiley & Sons
ISBN 13 : 3527676813
Total Pages : 384 pages
Book Rating : 4.5/5 (276 download)

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Book Synopsis Green Extraction of Natural Products by : Farid Chemat

Download or read book Green Extraction of Natural Products written by Farid Chemat and published by John Wiley & Sons. This book was released on 2016-03-11 with total page 384 pages. Available in PDF, EPUB and Kindle. Book excerpt: Extraction processes are essential steps in numerous industrial applications from perfume over pharmaceutical to fine chemical industry. Nowadays, there are three key aspects in industrial extraction processes: economy and quality, as well as environmental considerations. This book presents a complete picture of current knowledge on green extraction in terms of innovative processes, original methods, alternative solvents and safe products, and provides the necessary theoretical background as well as industrial application examples and environmental impacts. Each chapter is written by experts in the field and the strong focus on green chemistry throughout the book makes this book a unique reference source. This book is intended to be a first step towards a future cooperation in a new extraction of natural products, built to improve both fundamental and green parameters of the techniques and to increase the amount of extracts obtained from renewable resources with a minimum consumption of energy and solvents, and the maximum safety for operators and the environment.

Frontiers of Quantum Chemistry

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Publisher : Springer
ISBN 13 : 981105651X
Total Pages : 507 pages
Book Rating : 4.8/5 (11 download)

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Book Synopsis Frontiers of Quantum Chemistry by : Marek J. Wójcik

Download or read book Frontiers of Quantum Chemistry written by Marek J. Wójcik and published by Springer. This book was released on 2017-11-06 with total page 507 pages. Available in PDF, EPUB and Kindle. Book excerpt: The purpose of this book is to convey to the worldwide scientific community the rapid and enthusiastic progress of state-of-the-art quantum chemistry. Quantum chemistry continues to grow with remarkable success particularly due to rapid progress in supercomputers. The usefulness of quantum chemistry is almost limitless. Its application covers not only physical chemistry but also organic and inorganic chemistry, physics, and life sciences. This book deals with all of these topics. Frontiers of Quantum Chemistry is closely related to the symposium of the same name held at Kwansei Gakuin University at Nishinomiya, Japan, in November 2015. The book's contributors, however, include not only invited speakers at the symposium but also many other distinguished scientists from wide areas of quantum chemistry around the world.

Application of Ionic Liquids in Drug Delivery

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Publisher : Springer Nature
ISBN 13 : 9811643652
Total Pages : 246 pages
Book Rating : 4.8/5 (116 download)

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Book Synopsis Application of Ionic Liquids in Drug Delivery by : Masahiro Goto

Download or read book Application of Ionic Liquids in Drug Delivery written by Masahiro Goto and published by Springer Nature. This book was released on 2021-08-27 with total page 246 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents recent advances in the use of ionic liquids in medicine and pharmaceutics with particular emphasis on addressing critical pharmaceutical challenges, including the low solubility, polymorphism, and bioavailability of drugs. It also provides insights into the development of the biologically functionalized ionic liquids suitable for medical and pharmaceutical applications. Ionic liquids have been used as potential solvents or materials in the fields of pharmaceutical drug delivery and formulations because of their unique and tunable physicochemical and biological properties. Readers find explanations of the diverse approaches to the application of ionic liquids in drug solubility, active pharmaceutical ingredient (API) formulation, and drug delivery systems, such as topical, transdermal, and oral delivery, with particular emphasis on recent developments. Particular attention is given to the development of ionic liquid-assisted effective drug delivery techniques for sparingly soluble or insoluble drug molecules. This book also discusses the biological activities of ionic liquids for possible applications in drug formulation and drug delivery systems. Scientists in disciplines such as chemistry, biology, and pharmaceutics find this book instructive and informative for developing ionic liquid-based drug formulations or drug delivery systems.

Theoretical and Computational Approaches to Predicting Ionic Liquid Properties

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Publisher : Elsevier
ISBN 13 : 0128202815
Total Pages : 292 pages
Book Rating : 4.1/5 (282 download)

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Book Synopsis Theoretical and Computational Approaches to Predicting Ionic Liquid Properties by : Aswathy Joseph

Download or read book Theoretical and Computational Approaches to Predicting Ionic Liquid Properties written by Aswathy Joseph and published by Elsevier. This book was released on 2020-11-18 with total page 292 pages. Available in PDF, EPUB and Kindle. Book excerpt: Theoretical and Computational Approaches to Predicting Ionic Liquid Properties highlights new approaches to predicting and understanding ionic liquid behavior and selecting ionic liquids based on theoretical knowledge corroborated by experimental studies. Supported throughout with case studies, the book provides a comparison of the accuracy and efficiency of different theoretical approaches. Sections cover the need for integrating theoretical research with experimental data, conformations, electronic structure and non-covalent interactions, microstructures and template effects, thermodynamics and transport properties, and spectro-chemical characteristics. Catalytic and electrochemical properties are then explored, followed by interfacial properties and solvation dynamics. Structured for ease of use, and combining the research knowledge of a global team of experts in the field, this book is an indispensable tool for those involved with the research, development and application of ionic liquids across a vast range of fields. - Highlights new approaches for selecting ionic liquids by combining theoretical knowledge with experimental and simulation-based observations - Discusses how theoretical simulation can help in selecting specific anion-cation combinations to show enhanced properties of interest - Compares the accuracy and efficiency of different theoretical approaches for predicting ionic and liquid characteristics

Pharmaceutical Process Development

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Publisher : Royal Society of Chemistry
ISBN 13 : 1849733074
Total Pages : 375 pages
Book Rating : 4.8/5 (497 download)

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Book Synopsis Pharmaceutical Process Development by : John Blacker

Download or read book Pharmaceutical Process Development written by John Blacker and published by Royal Society of Chemistry. This book was released on 2011-08-17 with total page 375 pages. Available in PDF, EPUB and Kindle. Book excerpt: Pharmaceutical process research and development is an exacting, multidisciplinary effort but a somewhat neglected discipline in the chemical curriculum. This book presents an overview of the many facets of process development and how recent advances in synthetic organic chemistry, process technology and chemical engineering have impacted on the manufacture of pharmaceuticals. In 15 concise chapters the book covers such diverse subjects as route selection and economics, the interface with medicinal chemistry, the impact of green chemistry, safety, the crucial role of physical organic measurements in gaining a deeper understanding of chemical behaviour, the role of the analyst, new tools and innovations in reactor design, purification and separation, solid state chemistry and its role in formulation. The book ends with an assessment of future trends and challenges. The book provides a valuable overview of: both early and late stage chemical development, how safe and scaleable synthetic routes are designed, selected and developed, the importance of the chemical engineering, analytical and manufacturing interfaces, the key enabling technologies, including catalysis and biocatalysis, the importance of the green chemical perspective and solid form issues. The book, written and edited by experts in the field, is a contemporary, holistic treatise, with a logical sequence for process development and mini-case histories within the chapters to bring alive different aspects of the process. It is completely pharmaceutical themed, encompassing all essential aspects, from route and reagent selection to manufacture of the active compound. The book is aimed at both graduates and postgraduates interested in a career in the pharmaceutical industry. It informs them about the breadth of the work carried out in chemical research and development departments, and gives them a feel for the challenges involved in the job. The book is also of value to academics who often understand the drug discovery arena, but have far less appreciation of the drug development area, and are thus unable to advise their students about the relative merits of careers in chemical development versus discovery.

Plant Based “Green Chemistry 2.0”

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Publisher : Springer
ISBN 13 : 9811338108
Total Pages : 375 pages
Book Rating : 4.8/5 (113 download)

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Book Synopsis Plant Based “Green Chemistry 2.0” by : Ying Li

Download or read book Plant Based “Green Chemistry 2.0” written by Ying Li and published by Springer. This book was released on 2019-07-08 with total page 375 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides practical information on obtaining and using a wide variety of plant based reagents for different sectors, addressing the needs and challenges in a single resource. The chapters complement each other seamlessly and present contributions from reputed international researchers and renowned professionals from industry, covering the latest efforts in the field. The book serves as the starting point for future collaborations in the new area “Plant Based Green Chemistry” between research, industry, and education, covering large ecologic and economic applications: perfume, cosmetic, pharmaceutical, food ingredients, nutraceuticals, biofuels, or fine chemicals industries. This book is aimed at professionals from industries, academicians engaged in plant based green chemistry, researchers and graduate level students, but will also be useful to food technologists and students and researchers involved in natural products chemistry.

Supported Ionic Liquids

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Publisher : John Wiley & Sons
ISBN 13 : 3527324291
Total Pages : 498 pages
Book Rating : 4.5/5 (273 download)

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Book Synopsis Supported Ionic Liquids by : Rasmus Fehrmann

Download or read book Supported Ionic Liquids written by Rasmus Fehrmann and published by John Wiley & Sons. This book was released on 2014-03-24 with total page 498 pages. Available in PDF, EPUB and Kindle. Book excerpt: This unique book gives a timely overview about the fundamentals and applications of supported ionic liquids in modern organic synthesis. It introduces the concept and synthesis of SILP materials and presents important applications in the field of catalysis (e.g. hydroformylation, hydrogenation, coupling reactions, fine chemical synthesis) as well as energy technology and gas separation. Written by pioneers in the field, this book is an invaluable reference book for organic chemists in academia or industry.

Desulphurization and Denitrification of Diesel Oil Using Ionic Liquids

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Author :
Publisher : Elsevier
ISBN 13 : 0128014903
Total Pages : 343 pages
Book Rating : 4.1/5 (28 download)

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Book Synopsis Desulphurization and Denitrification of Diesel Oil Using Ionic Liquids by : Tamal Banerjee

Download or read book Desulphurization and Denitrification of Diesel Oil Using Ionic Liquids written by Tamal Banerjee and published by Elsevier. This book was released on 2015-04-11 with total page 343 pages. Available in PDF, EPUB and Kindle. Book excerpt: Desulphurization and Denitrification of Diesel Oil using Ionic Liquids: Experiments and Quantum Chemical Predictions discusses how quantum chemical calculations are applied to investigate the fundamental nature of the IL-sulphur-nitrogen systems at atomic and molecular levels. The book will help readers understand the nature of the structural relationship between molecules such as ionic liquid + aromatic sulphur + aromatic nitrogen system(s). In addition, COSMO-RS (Conductor Like Screening Model for Real Solvents) predictions and subsequent experimentation are discussed to evaluate the performance of ionic liquids for desulphurization and denitrification of diesel oil. - Provides current research on green solvents, such as ionic liquids, used in desulphurization and denitrification of fuels - Discusses the COSMO-RS model in predicting the properties of ionic liquids to aid in the design of separation processes - Includes real-world applications of desulphurization and denitrification using ionic liquids