Computational Methods For The Determination Of Formation Constants

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Computational Methods for the Determination of Formation Constants

Author : David J. Leggett
Publisher : Springer Science & Business Media
ISBN 13 : 1468449346
Total Pages : 488 pages
Book Rating : 4.4/5 (684 download)

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Book Synopsis Computational Methods for the Determination of Formation Constants by : David J. Leggett

Download or read book Computational Methods for the Determination of Formation Constants written by David J. Leggett and published by Springer Science & Business Media. This book was released on 2013-11-11 with total page 488 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume is concerned with methods that are available for the calculation of for mation constants, in particular computational procedures. Although graphical meth ods have considerable value in the exploration of primary (raw) data they have been overtaken by computational methods, which, for the most part, take primary data and return the refined formation constants. Graphical methods are now considered com plementary to these general computational procedures. This volume brings together programs that span the lifetime of computer-assisted determination of formation constants. On one hand the reader will find listings of programs that are derived from LETAGROP (b.l961) and the GAUSS-G/SCOGS (b. 1962) families. On the other hand programs are presented that are the newest mem bers of the SCOGS lineage and from the on-going MINIQUAD series. One program is presented that describes a computational approach to the classical Hedstrom Osterberg methods; another that takes care of electrode calibration in a simple yet rigorous manner. Potentiometry and spectrophotometry are the most popular experimental tech niques for equilibrium studies, and the programs in this volume reflect this. Four programs handle potentiometric data, two will process spectrophotometric data, and one makes use of both types of data separately or in combination.

Computational Methods for the Determination of Formation Constants

Author : David J. Leggett
Publisher :
ISBN 13 : 9781468449358
Total Pages : 496 pages
Book Rating : 4.4/5 (493 download)

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Book Synopsis Computational Methods for the Determination of Formation Constants by : David J. Leggett

Download or read book Computational Methods for the Determination of Formation Constants written by David J. Leggett and published by . This book was released on 2014-01-15 with total page 496 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Computational Methods for the Determination of Formation Constants

Author : DJ Leggett (Ed)
Publisher :
ISBN 13 :
Total Pages : pages
Book Rating : 4.:/5 (985 download)

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Book Synopsis Computational Methods for the Determination of Formation Constants by : DJ Leggett (Ed)

Download or read book Computational Methods for the Determination of Formation Constants written by DJ Leggett (Ed) and published by . This book was released on 1985 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:

Descriptive Inorganic Chemistry Researches of Metal Compounds

Author : Takashiro Akitsu
Publisher : BoD – Books on Demand
ISBN 13 : 9535133977
Total Pages : 223 pages
Book Rating : 4.5/5 (351 download)

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Book Synopsis Descriptive Inorganic Chemistry Researches of Metal Compounds by : Takashiro Akitsu

Download or read book Descriptive Inorganic Chemistry Researches of Metal Compounds written by Takashiro Akitsu and published by BoD – Books on Demand. This book was released on 2017-08-23 with total page 223 pages. Available in PDF, EPUB and Kindle. Book excerpt: Metal ions play an important role in analytical chemistry, organometallic chemistry, bioinorganic chemistry, and materials chemistry. This book, Descriptive Inorganic Chemistry Researches of Metal Compounds, collects research articles, review articles, and tutorial description about metal compounds. To perspective contemporary researches of inorganic chemistry widely, the kinds of metal elements (typical and transition metals including rare earth; p, d, f-blocks) and compounds (molecular coordination compounds, ionic solid materials, or natural metalloenzyme) or simple substance (bulk, clusters, or alloys) to be focused are not limited. In this way, review chapters of current researches are collected in this book.

Chemical Synergies

Author : Nuno A.G. Bandeira
Publisher : Walter de Gruyter GmbH & Co KG
ISBN 13 : 3110481367
Total Pages : 362 pages
Book Rating : 4.1/5 (14 download)

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Book Synopsis Chemical Synergies by : Nuno A.G. Bandeira

Download or read book Chemical Synergies written by Nuno A.G. Bandeira and published by Walter de Gruyter GmbH & Co KG. This book was released on 2018-05-07 with total page 362 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book gives an overview of recent integrated and inter-disciplinary approaches between chemical experiment and theory in a variety of fields, from polymer science to materials chemistry and ranging from the design of tailored properties to catalysis and reactivity, building on the well-established success of Density Functional Theory as the foremost quantum chemical method to provide qualitative and quantitative interpretation of results from the chemical laboratory. The combination of several characterization techniques with an understanding at the molecular level of chemical and physical phenomena are the main focal point of the subject matter.

Inorganic Chemistry

Author : James E. House
Publisher : Academic Press
ISBN 13 : 0123851114
Total Pages : 847 pages
Book Rating : 4.1/5 (238 download)

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Book Synopsis Inorganic Chemistry by : James E. House

Download or read book Inorganic Chemistry written by James E. House and published by Academic Press. This book was released on 2012-12-31 with total page 847 pages. Available in PDF, EPUB and Kindle. Book excerpt: Inorganic Chemistry, Second Edition, provides essential information for students of inorganic chemistry or for chemists pursuing self-study. The presentation of topics is made with an effort to be clear and concise so that the book is portable and user friendly. The text emphasizes fundamental principles—including molecular structure, acid-base chemistry, coordination chemistry, ligand field theory, and solid state chemistry. It is organized into five major themes (structure, condensed phases, solution chemistry, main group and coordination compounds) with several chapters in each. There is a logical progression from atomic structure to molecular structure to properties of substances based on molecular structures, to behavior of solids, etc. The textbook contains a balance of topics in theoretical and descriptive chemistry. For example, the hard-soft interaction principle is used to explain hydrogen bond strengths, strengths of acids and bases, stability of coordination compounds, etc. Discussion of elements begins with survey chapters focused on the main groups, while later chapters cover the elements in greater detail. Each chapter opens with narrative introductions and includes figures, tables, and end-of-chapter problem sets. This new edition features new and improved illustrations, including symmetry and 3D molecular orbital representations; expanded coverage of spectroscopy, instrumental techniques, organometallic and bio-inorganic chemistry; and more in-text worked-out examples to encourage active learning and to prepare students for their exams. This text is ideal for advanced undergraduate and graduate-level students enrolled in the Inorganic Chemistry course. This core course serves Chemistry and other science majors. The book may also be suitable for biochemistry, medicinal chemistry, and other professionals who wish to learn more about this subject area. Concise coverage maximizes student understanding and minimizes the inclusion of details students are unlikely to use Discussion of elements begins with survey chapters focused on the main groups, while later chapters cover the elements in greater detail Each chapter opens with narrative introductions and includes figures, tables, and end-of-chapter problem sets

Absorption and Drug Development

Author : Alex Avdeef
Publisher : John Wiley & Sons
ISBN 13 : 1118286030
Total Pages : 741 pages
Book Rating : 4.1/5 (182 download)

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Book Synopsis Absorption and Drug Development by : Alex Avdeef

Download or read book Absorption and Drug Development written by Alex Avdeef and published by John Wiley & Sons. This book was released on 2012-04-11 with total page 741 pages. Available in PDF, EPUB and Kindle. Book excerpt: Explains how to perform and analyze the results of the latest physicochemical methods With this book as their guide, readers have access to all the current information needed to thoroughly investigate and accurately determine a compound's pharmaceutical properties and their effects on drug absorption. The book emphasizes oral absorption, explaining all the physicochemical methods used today to analyze drug candidates. Moreover, the author provides expert guidance to help readers analyze the results of their studies in order to select the most promising drug candidates. This Second Edition has been thoroughly updated and revised, incorporating all the latest research findings, methods, and resources, including: Descriptions and applications of new PAMPA models, drawing on more than thirty papers published by the author's research group Two new chapters examining permeability and Caco-2/MDCK and permeability and the blood-brain barrier Expanded information and methods to support pKa determination New examples explaining the treatment of practically insoluble test compounds Additional case studies demonstrating the use of the latest physicochemical techniques New, revised, and expanded database tables throughout the book Well over 200 drawings help readers better understand difficult concepts and provide a visual guide to complex procedures. In addition, over 800 references serve as a gateway to the primary literature in the field, facilitating further research into all the topics covered in the book. This Second Edition is recommended as a reference for researchers in pharmaceutical R&D as well as in agrochemical, environmental, and other related areas of research. It is also recommended as a supplemental text for graduate courses in pharmaceutics.

Cyclophanes

Author : Francois N Diederich
Publisher : Royal Society of Chemistry
ISBN 13 : 1788010922
Total Pages : 330 pages
Book Rating : 4.7/5 (88 download)

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Book Synopsis Cyclophanes by : Francois N Diederich

Download or read book Cyclophanes written by Francois N Diederich and published by Royal Society of Chemistry. This book was released on 2016-11-08 with total page 330 pages. Available in PDF, EPUB and Kindle. Book excerpt: Cyclophanes are bridged aromatic compounds and represent the central class of synthetic receptors in molecular recognition. All types of substrates, from inorganic and organic cations and anions, to neutral molecules have been complexed by tailor-made cyclophanes. This monograph focuses on the principles of supramolecular complexation and catalysis. It provides a state-of-the-art review of the intermolecular forces that hold together the supramolecular complexes of cyclophanes with neutral and charged organic molecules in the liquid phase. Cyclophanes also demonstrates the characteristics and advantages of bridged aromatic compounds as receptors. The book has great clarity, is very readable and will be extremely useful in both teaching and research.

Molecular Drug Properties

Author : Raimund Mannhold
Publisher : John Wiley & Sons
ISBN 13 : 3527621296
Total Pages : 502 pages
Book Rating : 4.5/5 (276 download)

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Book Synopsis Molecular Drug Properties by : Raimund Mannhold

Download or read book Molecular Drug Properties written by Raimund Mannhold and published by John Wiley & Sons. This book was released on 2008-06-25 with total page 502 pages. Available in PDF, EPUB and Kindle. Book excerpt: This first systematic overview for more than a decade is tailor-made for the medicinal chemist. All the chapters are written by experienced drug developers and include practical examples from real drug candidates. Following an introduction to global drug properties and their impact on drug research, screening and combinatorial chemistry libraries, this handbook demonstrates the best and fastest way to estimate those properties most relevant for the efficiency and pharmacokinetic performance of a drug molecule: lipophilicity,solubility, electronic properties and conformation.

Stoichiometry and Research

Author : Alessio Innocenti
Publisher : BoD – Books on Demand
ISBN 13 : 9535101986
Total Pages : 392 pages
Book Rating : 4.5/5 (351 download)

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Book Synopsis Stoichiometry and Research by : Alessio Innocenti

Download or read book Stoichiometry and Research written by Alessio Innocenti and published by BoD – Books on Demand. This book was released on 2012-03-07 with total page 392 pages. Available in PDF, EPUB and Kindle. Book excerpt: The aim of this book is to provide an overview of the importance of stoichiometry in the biomedical field. It proposes a collection of selected research articles and reviews which provide up-to-date information related to stoichiometry at various levels. The first section deals with host-guest chemistry, focusing on selected calixarenes, cyclodextrins and crown ethers derivatives. In the second and third sections the book presents some issues concerning stoichiometry of metal complexes and lipids and polymers architecture. The fourth section aims to clarify the role of stoichiometry in the determination of protein interactions, while in the fifth section some selected experimental techniques applied to specific systems are introduced. The last section of the book is an attempt at showing some interesting connections between biomedicine and the environment, introducing the concept of biological stoichiometry. On this basis, the present volume would definitely be an ideal source of scientific information to researchers and scientists involved in biomedicine, biochemistry and other areas involving stoichiometry evaluation.

Metal Complexes in Aqueous Solutions

Author : Arthur E. Martell
Publisher : Springer Science & Business Media
ISBN 13 : 1489914862
Total Pages : 259 pages
Book Rating : 4.4/5 (899 download)

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Book Synopsis Metal Complexes in Aqueous Solutions by : Arthur E. Martell

Download or read book Metal Complexes in Aqueous Solutions written by Arthur E. Martell and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 259 pages. Available in PDF, EPUB and Kindle. Book excerpt: Stability constants are fundamental to understanding the behavior of metal ions in aqueous solution. Such understanding is important in a wide variety of areas, such as metal ions in biology, biomedical applications, metal ions in the environment, extraction metallurgy, food chemistry, and metal ions in many industrial processes. In spite of this importance, it appears that many inorganic chemists have lost an appreciation for the importance of stability constants, and the thermodynamic aspects of complex formation, with attention focused over the last thirty years on newer areas, such as organometallic chemistry. This book is an attempt to show the richness of chemistry that can be revealed by stability constants, when measured as part of an overall strategy aimed at understanding the complexing properties of a particular ligand or metal ion. Thus, for example, there are numerous crystal structures of the Li+ ion with crown ethers. What do these indicate to us about the chemistry of Li+ with crown ethers? In fact, most of these crystal structures are in a sense misleading, in that the Li+ ion forms no complexes, or at best very weak complexes, with familiar crown ethers such as l2-crown-4, in any known solvent. Thus, without the stability constants, our understanding of the chemistry of a metal ion with any particular ligand must be regarded as incomplete. In this book we attempt to show how stability constants can reveal factors in ligand design which could not readily be deduced from any other physical technique.

Contrast Agents for MRI

Author : Valérie C Pierre
Publisher : Royal Society of Chemistry
ISBN 13 : 1788012542
Total Pages : 612 pages
Book Rating : 4.7/5 (88 download)

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Book Synopsis Contrast Agents for MRI by : Valérie C Pierre

Download or read book Contrast Agents for MRI written by Valérie C Pierre and published by Royal Society of Chemistry. This book was released on 2017-11-09 with total page 612 pages. Available in PDF, EPUB and Kindle. Book excerpt: As a practical reference guide for designing and performing experiments, this book focuses on the five most common classes of contrast agents for MRI namely gadolinium complexes, chemical exchange saturation transfer agents, iron oxide nanoparticles, manganese complexes and fluorine contrast agents. It describes how to characterize and evaluate them and for each class, a description of the theory behind their mechanisms is discussed briefly to orient the new reader. Detailed subchapters discuss the different physical chemistry methods used to characterize them in terms of their efficacy, safety and in vivo behavior. Important consideration is also given to the different physical properties that affect the performance of the contrast agents. The editors and contributors are at the forefront of research in the field of MRI contrast agents and this unique, cutting edge book is a timely addition to the literature in this area.

Molecular and Cellular Iron Transport

Author : Douglas Templeton
Publisher : CRC Press
ISBN 13 : 0824744179
Total Pages : 926 pages
Book Rating : 4.8/5 (247 download)

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Book Synopsis Molecular and Cellular Iron Transport by : Douglas Templeton

Download or read book Molecular and Cellular Iron Transport written by Douglas Templeton and published by CRC Press. This book was released on 2002-01-23 with total page 926 pages. Available in PDF, EPUB and Kindle. Book excerpt: This text analyzes the molecular mechanisms, chemical behaviour and regulation of iron transport in biological systems and offers novel methods for the assessment of iron transport across biological membranes. It details the characteristics and consequences of iron deficiency and excess to prevent diseases affecting major organ structures and promote bodily iron homeostasis.

Separations Chemistry

Author : Fedor Macášek
Publisher : Xlibris Corporation
ISBN 13 : 1514417308
Total Pages : 390 pages
Book Rating : 4.5/5 (144 download)

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Book Synopsis Separations Chemistry by : Fedor Macášek

Download or read book Separations Chemistry written by Fedor Macášek and published by Xlibris Corporation. This book was released on 2016-06-06 with total page 390 pages. Available in PDF, EPUB and Kindle. Book excerpt: Separation of chemical species is a gate to final success of synthesis and preparation of compounds in pure and defined state. Variability of natural and artificial mixtures to be treated is enormous. Task of chemistry is to separate components of homogeneous mixtures (the gaseous and liquid solutions). The book concentrates on understanding the basic philosophies of both equilibrium and nonequilibrium chemical thermodynamics and engineering performance that lay in principle of separation technique such as distillation, crystallization, centrifugation, sorption, membrane separations, chromatography, and liquid-liquid extraction. Specific phenomena connected with photochemical separation, isotope composition, and radioactivity are discussed as well. The book is written for advanced students of chemistry having the knowledge of physical chemistry. Calculation examples are based on the international system of units. Unique list of over 1,300 full references covers scientific literature of the eighteenth to the twenty-first centuries.

Predicting Solubility of New Drugs

Author : Alex Avdeef
Publisher : CRC Press
ISBN 13 : 1003826318
Total Pages : 1730 pages
Book Rating : 4.0/5 (38 download)

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Book Synopsis Predicting Solubility of New Drugs by : Alex Avdeef

Download or read book Predicting Solubility of New Drugs written by Alex Avdeef and published by CRC Press. This book was released on 2024-05-27 with total page 1730 pages. Available in PDF, EPUB and Kindle. Book excerpt: In pharmaceutical research, solubility plays a key part in the assessment of pharmacokinetic risks. Poor drug absorption, reduced efficacy, excessive metabolism, and adverse reactions are frequently related to issues of drug solubility. During early discovery research at pharmaceutical companies, many thousands of molecules are considered. Most are rejected due to perceived unfavorable properties. Here the author uses the Wiki-pS0TM database, which forms the backbone of this unique handbook. Also discussed is the emerging class of therapeutically promising research molecules called PROTACs (proteolysis-targeting chimeras), showing a propensity for ‘undruggable’ targets. FEATURES • A comprehensive and unique listing of measured aqueous intrinsic solubility focusing on drug-like and drug-relevant molecules. • The database can be used to predict the solubility of research pharmaceutical molecules. • Includes downloadable files of the database (.csv format). • The mining of the database can result in a better design of solubility assay protocols, leading to better quality of measurements. • Artificial intelligence and Bayesian statistics will likely be key to this subject area in the future. Alex Avdeef has been an American Association of Pharmaceutical Scientists (AAPS) Fellow since 2014, a former visiting senior research fellow at King’s College London, and is the author of Absorption and Drug Development (2nd ed., Wiley, 2012). In 2021, the book was translated into Chinese, by translators affiliated with the China Food and Drug Administration. For nearly 50 years, he has been teaching, researching, and developing methods, instruments, and analysis software for the measurement of ionization constants, solubility, dissolution, and permeability of drugs. His accomplishments in the development of instrumentation include several well-known instruments that are or recently have been manufactured by leading companies in the instrument market, including Thermo Fisher Scientific, Sirius Analytical, and Pion Inc. He has over 200 technical publications in primary scientific journals and book chapters. He has written several comprehensive technical guides and is a co-inventor on six patents. He cofounded Sirius Analytical (UK) in 1989, pION Inc. (USA) in 1996, and founded in–ADME Research (New York City) in 2011. His other positions were at Orion Research, Syracuse University, UC Berkeley, and Caltech.

Thermodynamic Properties of Chemical Species in Nuclear Waste

Author : Norman M. Edelstein
Publisher :
ISBN 13 :
Total Pages : 140 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Thermodynamic Properties of Chemical Species in Nuclear Waste by : Norman M. Edelstein

Download or read book Thermodynamic Properties of Chemical Species in Nuclear Waste written by Norman M. Edelstein and published by . This book was released on 1983 with total page 140 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Chemical Speciation of Organic and Inorganic components of Environmental and Biological Interest in Natural Fluids

Author : Francesco Crea
Publisher : MDPI
ISBN 13 : 3039284525
Total Pages : 218 pages
Book Rating : 4.0/5 (392 download)

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Book Synopsis Chemical Speciation of Organic and Inorganic components of Environmental and Biological Interest in Natural Fluids by : Francesco Crea

Download or read book Chemical Speciation of Organic and Inorganic components of Environmental and Biological Interest in Natural Fluids written by Francesco Crea and published by MDPI. This book was released on 2020-03-25 with total page 218 pages. Available in PDF, EPUB and Kindle. Book excerpt: The International Union of Pure and Applied Chemistry (IUPAC) defines the term “speciation” as the distribution of an element amongst defined chemical species in a system, while the process leading to quantitative estimation of the content of different species is called speciation analysis. The chemical speciation of elements in natural waters and biological fluids is a key topic, essential for discussing the chemical reactivity of constituents in these systems. It is well understood that it is the chemical form of a metal or metalloids that determines its reactivity, lifetime, and fate in the environment. Chemical speciation now involves various sectors of the sciences, from chemistry to biology, biochemistry, and environmental sciences, since—as is well known—the total concentration, alone, of an inorganic or organic component (metal or ligand) in a multicomponent natural system (fresh water, sea water, biological fluids, soil, etc.) is insufficient for a comprehensive understand of its behavior in those contests.