Information Theory in Analytical Chemistry


Book Description

Demonstrates how the information theory approach to experimental data can be of benefit not only to analytical chemists but to all those using these techniques in the decision making process. Deals with information-theoretic fundamentals as well as with practical aspects. Discusses the system nature of analysis which is of particular importance in multicomponent analysis.




Analytical Chemistry


Book Description

Fundamentals of Analytical Chemistry are usually presented as a sum of chemical and physical foundations, laws, axioms and equations for analytical methods and procedures. In contrast, this book delivers a practice-oriented, general guiding theory valid for all methods and techniques. The metrological foundations included define strictly the figures of merit in order to minimize confusions still appearing in Analytical Chemistry publications today.




Practical Data Analysis in Chemistry


Book Description

The majority of modern instruments are computerised and provide incredible amounts of data. Methods that take advantage of the flood of data are now available; importantly they do not emulate 'graph paper analyses' on the computer. Modern computational methods are able to give us insights into data, but analysis or data fitting in chemistry requires the quantitative understanding of chemical processes. The results of this analysis allows the modelling and prediction of processes under new conditions, therefore saving on extensive experimentation. Practical Data Analysis in Chemistry exemplifies every aspect of theory applicable to data analysis using a short program in a Matlab or Excel spreadsheet, enabling the reader to study the programs, play with them and observe what happens. Suitable data are generated for each example in short routines, this ensuring a clear understanding of the data structure. Chapter 2 includes a brief introduction to matrix algebra and its implementation in Matlab and Excel while Chapter 3 covers the theory required for the modelling of chemical processes. This is followed by an introduction to linear and non-linear least-squares fitting, each demonstrated with typical applications. Finally Chapter 5 comprises a collection of several methods for model-free data analyses.* Includes a solid introduction to the simulation of equilibrium processes and the simulation of complex kinetic processes.* Provides examples of routines that are easily adapted to the processes investigated by the reader* 'Model-based' analysis (linear and non-linear regression) and 'model-free' analysis are covered







Basic Concepts Of Analytical Chemistry


Book Description

Analytical Chemistry Has Made Significant Progress In The Last Two Decades. Several Methods Have Come To The Forefront While Some Classical Methods Have Been Relegated. An Attempt Has Been Made In This Edition To Strike A Balance Between These Two Extremes, By Retaining Most Significant Methods And Incorporating Some Novel Techniques. Thus An Endeavour Has Been Made To Make This Book Up To Date With Recent Methods.The First Part Of This Book Covers The Classical Volumetric As Well As Gravimetric Methods Of Analysis. The Separation Methods Are Prerequisite For Dependable Quantitative Methods Of Analysis. Therefore Not Only Solvent Extraction Separations But Also Chromatographic Methods Such As Adsorption, Partition, Ion- Exchange, Exclusion Andelectro Chromatography Have Been Included. To Keep Pace With Modern Developments The Newly Discovered Techniques Such As Ion Chromatography, Super-Critical Fluid Chromatography And Capillary Electrophoresis Have Been Included.The Next Part Of The Book Encompases The Well Known Spectroscopic Methods Such As Uv, Visible, Ir, Nmr, And Esr Techniques And Also Atomic Absorption And Plasma Spectroscopy And Molecular Luminescences Methods. Novel Analytical Techniques Such As Auger, Esca And Photo Accoustic Spectroscopy Of Surfaces Are Also Included.The Final Part Of This Book Covers Thermal And Radioanalytical Methods Of Analysis. The Concluding Chapters On Electroanalytical Techniques Include Potientometry, Conductometry. Coulometry And Voltametry Inclusive Of All Kinds Of A Polarography. The Theme Of On Line Analysis Is Covered In Automated Methods Of Analysis.To Sustain The Interest Of The Reader Each Chapter Is Provided With Latest References To The Monographs In The Field. Further, To Test The Comprehension Of The Subject Each Chapter Is Provided With Large Number Of Solved And Unsolved Problems.This Book Should Be Useful To Those Reads Who Have Requisite Knowledge In Chemistry And Are Majoring In Analytical Chemistry. It Is Also Useful To Practising Chemists Whose Sole Aim Is To Keep Abreast With Modern Developments In The Field.




Molecular Descriptors for Chemoinformatics


Book Description

The number-one reference on the topic now contains a wealth of new data: The entire relevant literature over the past six years has been painstakingly surveyed, resulting in hundreds of new descriptors being added to the list, and some 3,000 new references in the bibliography section. Volume 1 contains an alphabetical listing of more than 3300 descriptors and related terms for chemoinformatic analysis of chemical compound properties, while the second volume lists over 6,000 references selected from 450 journals. To make the data even more accessible, the introductory section has been completely re-written and now contains several "walk-through" reading lists of selected keywords for novice users.




TRAC: Trends in Analytical Chemistry


Book Description

TRAC: Trends in Analytical Chemistry, Volume 7 provides information pertinent to the trends in the field of analytical chemistry. This book discusses a variety of topics related to analytical chemistry, including biomolecular mass spectroscopy, affinity chromatography, electrochemical detection, nucleosides, and protein sequencing. Organized into 63 parts encompassing 158 chapters, this volume begins with an overview of the significance of quality and productivity in the analytical laboratory. This text then presents a comprehensive review on alcohol dehydrogenases, immobilization, and applications in analysis and synthesis. Other chapters consider the various tests for determining the excellence of quantitative assays available for analysts to utilize for method validation. This book discusses as well the primary challenge of neuropharmacologists to relate physiological functions to the many ligand binding sites identified in brain tissue. The final chapter deals with the fundamentals and applications of biosensors. This book is a valuable resource for analytical chemists, chemical engineers, clinical chemists, neuropharmacologists, and scientists.




Electroanalytical Chemistry


Book Description

Provides a strong foundation in electrochemical principles and best practices Written for undergraduate majors in chemistry and chemical engineering, this book teaches the basic principles of electroanalytical chemistry and illustrates best practices through the use of case studies of organic reactions and catalysis using voltammetric methods and of the measurement of clinical and environmental analytes by potentiometric techniques. It provides insight beyond the field of analysis as students address problems arising in many areas of science and technology. The book also emphasizes electrochemical phenomena and conceptual models to help readers understand the influence of experimental conditions and the interpretation of results for common potentiometric and voltammetric methods. Electroanalytical Chemistry: Principles, Best Practices, and Case Studies begins by introducing some basic concepts in electrical phenomena. It then moves on to a chapter that examines the potentiometry of oxidation-reduction processes, followed by another on the potentiometry of ion selective electrodes. Other sections look at: applications of ion selective electrodes; controlled potential methods; case studies in controlled potential methods; and instrumentation. The book also features several appendixes covering: Ionic Strength, Activity and Activity Coefficients; The Nicolsky-Eisenman Equation; The Henderson Equation for Liquid Junction Potentials; Selected Standard Electrode Potentials; and The Nernst Equation Derivation. Introduces the principles of modern electrochemical sensors and instrumental chemical analysis using potentiometric and voltammetric methods Develops conceptual models underlying electrochemical phenomena and useful equations Illustrates best practice with short case studies of organic reaction mechanisms using voltammetry and quantitative analysis with ion selective electrodes Offers instructors the opportunity to select focus areas and tailor the book to their course by providing a collection of shorter texts, each dedicated to a single field Intended as one of a series of modules for teaching undergraduate courses in instrumental chemical analysis Electroanalytical Chemistry: Principles, Best Practices, and Case Studies is an ideal textbook for undergraduate majors in chemistry and chemical engineering taking instrumental analysis courses. It would also benefit professional chemists who need an introduction to potentiometry or voltammetry.




New Frontiers in Nanochemistry: Concepts, Theories, and Trends, 3-Volume Set


Book Description

New Frontiers in Nanochemistry: Concepts, Theories, and Trends, 3-Volume Set explains and explores the important fundamental and advanced modern concepts from various areas of nanochemistry and, more broadly, the nanosciences. This innovative and one-of-a kind set consists of three volumes that focus on structural nanochemistry, topological nanochemistry, and sustainable nanochemistry respectively, collectively forming an explicative handbook in nanochemistry. The compilation provides a rich resource that is both thorough and accessible, encompassing the core concepts of multiple areas of nanochemistry. It also explores the content through a trans-disciplinary lens, integrating the basic and advanced modern concepts in nanochemistry with various examples, applications, issues, tools, algorithms, and even historical notes on the important people from physical, quantum, theoretical, mathematical, and even biological chemistry.




Chemometrics


Book Description

Most chemists, whether they are biochemists, organic, analytical, pharmaceutical or clinical chemists and many pharmacists and biologists need to perform chemical analysis. Consequently, they are not only confronted with carrying out the actual analysis, but also with problems such as method selection, experimental design, optimization, calibration, data acquisition and handling, and statistics in order to obtain maximum relevant chemical information. In other words: they are confronted with chemometrics. This book on chemometrics, written by some of the leaders in the field, aims to provide a thorough, up-to-date introduction to this subject. The reader is given the opportunity to acquaint himself with the tools used in this discipline and the way in which they are applied. Some practical examples are given and the reader is shown how to select the appropriate tools in a given situation.As such the book provides the means to approach and solve analytical problems strategically and systematically, without the need for the reader to become a fully-fledged chemometrician. The authors' aim was to write a tutorial book which would be useful to readers at every level in this field.