Advances In Mathematical Chemistry And Applications Volume 1

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Advances in Mathematical Chemistry and Applications: Volume 1

Author : Subhash C. Basak
Publisher : Elsevier
ISBN 13 : 1681081970
Total Pages : 378 pages
Book Rating : 4.6/5 (81 download)

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Book Synopsis Advances in Mathematical Chemistry and Applications: Volume 1 by : Subhash C. Basak

Download or read book Advances in Mathematical Chemistry and Applications: Volume 1 written by Subhash C. Basak and published by Elsevier. This book was released on 2016-02-11 with total page 378 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Mathematical Chemistry and Applications highlights the recent progress in the emerging discipline of discrete mathematical chemistry. Editors Subhash C. Basak, Guillermo Restrepo, and Jose Luis Villaveces have brought together 27 chapters written by 68 internationally renowned experts in these two volumes. Each volume comprises a wise integration of mathematical and chemical concepts and covers numerous applications in the field of drug discovery, bioinformatics, chemoinformatics, computational biology, mathematical proteomics, and ecotoxicology. Volume 1 includes chapters on mathematical structural descriptors of molecules and biomolecules, applications of partially ordered sets (posets) in chemistry, optimal characterization of molecular complexity using graph theory, different connectivity matrices and their polynomials, use of 2D fingerprints in similarity-based virtual screening, mathematical approaches to molecular structure generation, comparability graphs, applications of molecular topology in drug design, density functional theory of chemical reactivity, application of mathematical descriptors in the quantification of drug-likeness, utility of pharmacophores in drug design, and much more. Brings together both the theoretical and practical aspects of the fundamental concepts of mathematical chemistry Covers applications in diverse areas of physics, chemistry, drug discovery, predictive toxicology, systems biology, chemoinformatics, and bioinformatics Revised 2015 edition includes a new chapter on the current landscape of hierarchical QSAR modelling About half of the book focuses primarily on current work, new applications, and emerging approaches for the mathematical characterization of essential aspects of molecular structure, while the other half describes applications of structural approach to new drug discovery, virtual screening, protein folding, predictive toxicology, DNA structure, and systems biology

Advances in Mathematical Chemistry

Author : Subhash C. Basak
Publisher :
ISBN 13 : 9781608059294
Total Pages : 337 pages
Book Rating : 4.0/5 (592 download)

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Book Synopsis Advances in Mathematical Chemistry by : Subhash C. Basak

Download or read book Advances in Mathematical Chemistry written by Subhash C. Basak and published by . This book was released on 2014-01-01 with total page 337 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Advances in Mathematical Chemistry and Applications, Volume 1" highlights the emerging discipline of mathematical chemistry, or, more precisely, discrete mathematical chemistry. This Volume is written by internationally renowned experts in the field. It comprises of a wise integration of mathematical and chemical concepts and covers numerous applications in the field of drug discovery, bioinformatics, chemoinformatics, computational biology and ecological health. The contents of this book include chapters on mathematical structural descriptors of molecules and biomolecules, topological representation of molecular structure, connectivity matrices, use of weighted 2D Fingerprints in similarity-based virtual screening and much more. This ebook is a valuable resource for MSc and PhD students, academic personnel and researchers seeking updated and critically important information on the fundamental concepts of mathematical chemistry and their applications.

Advances in Mathematical Chemistry and Applications

Author : Subhash C. Basak
Publisher :
ISBN 13 :
Total Pages : pages
Book Rating : 4.:/5 (16 download)

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Book Synopsis Advances in Mathematical Chemistry and Applications by : Subhash C. Basak

Download or read book Advances in Mathematical Chemistry and Applications written by Subhash C. Basak and published by . This book was released on 2015 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:

Advances in Mathematical Chemistry and Applications:

Author : Subhash C. Basak
Publisher : Elsevier
ISBN 13 : 1681080524
Total Pages : 354 pages
Book Rating : 4.6/5 (81 download)

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Book Synopsis Advances in Mathematical Chemistry and Applications: by : Subhash C. Basak

Download or read book Advances in Mathematical Chemistry and Applications: written by Subhash C. Basak and published by Elsevier. This book was released on 2016-02-11 with total page 354 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Mathematical Chemistry and Applications highlights the recent progress in the emerging discipline of discrete mathematical chemistry. Editors Subhash C. Basak, Guillermo Restrepo, and Jose Luis Villaveces have brought together 27 chapters written by 68 internationally renowned experts in these two volumes. Each volume comprises a wise integration of mathematical and chemical concepts and covers numerous applications in the field of drug discovery, bioinformatics, chemoinformatics, computational biology, mathematical proteomics, and ecotoxicology. Volume 2 explores deeper the topics introduced in Volume 1, with numerous additional topics such as topological approaches for classifying fullerene isomers; chemical reaction networks; discrimination of small molecules using topological molecular descriptors; GRANCH methods for the mathematical characterization of DNA, RNA and protein sequences; linear regression methods and Bayesian techniques; in silico toxicity prediction methods; drug design; integration of bioinformatics and systems biology, molecular docking, and molecular dynamics; metalloenzyme models; protein folding models; molecular periodicity; generalized topologies and their applications; and many more. Brings together both the theoretical and practical aspects of the fundamental concepts of mathematical chemistry Covers applications in diverse areas of physics, chemistry, drug discovery, predictive toxicology, systems biology, chemoinformatics, and bioinformatics About half of the book focuses primarily on current work, new applications, and emerging approaches for the mathematical characterization of essential aspects of molecular structure, while the other half describes applications of structural approach to new drug discovery, virtual screening, protein folding, predictive toxicology, DNA structure, and systems biology

Advances in Mathematical Chemistry and Applications: Volume 2

Author : Subhash C. Basak
Publisher : Bentham Science Publishers
ISBN 13 : 9781681080536
Total Pages : 0 pages
Book Rating : 4.0/5 (85 download)

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Book Synopsis Advances in Mathematical Chemistry and Applications: Volume 2 by : Subhash C. Basak

Download or read book Advances in Mathematical Chemistry and Applications: Volume 2 written by Subhash C. Basak and published by Bentham Science Publishers. This book was released on 2016-01-20 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Mathematical Chemistry and Applications highlights the recent progress in the emerging discipline of discrete mathematical chemistry. Editors Subhash C. Basak, Guillermo Restrepo, and Jose Luis Villaveces have brought together 27 chapters written by 68 internationally renowned experts in these two volumes. Each volume comprises a wise integration of mathematical and chemical concepts and covers numerous applications in the field of drug discovery, bioinformatics, chemoinformatics, computational biology, mathematical proteomics, and ecotoxicology. Volume 2 explores deeper the topics introduced in Volume 1, with numerous additional topics such as topological approaches for classifying fullerene isomers; chemical reaction networks; discrimination of small molecules using topological molecular descriptors; GRANCH methods for the mathematical characterization of DNA, RNA and protein sequences; linear regression methods and Bayesian techniques; in silico toxicity prediction methods; drug design; integration of bioinformatics and systems biology, molecular docking, and molecular dynamics; metalloenzyme models; protein folding models; molecular periodicity; generalized topologies and their applications; and many more.

Applied Chemistry and Chemical Engineering, Volume 1

Author : A. K. Haghi
Publisher : CRC Press
ISBN 13 : 1771885165
Total Pages : 316 pages
Book Rating : 4.7/5 (718 download)

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Book Synopsis Applied Chemistry and Chemical Engineering, Volume 1 by : A. K. Haghi

Download or read book Applied Chemistry and Chemical Engineering, Volume 1 written by A. K. Haghi and published by CRC Press. This book was released on 2017-12-22 with total page 316 pages. Available in PDF, EPUB and Kindle. Book excerpt: This new book brings together innovative research, new concepts, and novel developments in the application of informatics tools for applied chemistry and computer science. It presents a modern approach to modeling and calculation and also looks at experimental design in applied chemistry and chemical engineering. The volume discusses the developments of advanced chemical products and respective tools to characterize and predict the chemical material properties and behavior. Providing numerous comparisons of different methods with one another and with different experiments, not only does this book summarize the classical theories, but it also exhibits their engineering applications in response to the current key issues. Recent trends in several areas of chemistry and chemical engineering science, which have important application to practice, are discussed. Applied Chemistry and Chemical Engineering: Volume 1: Mathematical and Analytical Techniques provides valuable information for chemical engineers and researchers as well as for graduate students. It demonstrates the progress and promise for developing chemical materials that seem capable of moving this field from laboratory-scale prototypes to actual industrial applications. Volume 2 will focus principles and methodologies in applied chemistry and chemical engineering.

Chemical Graph Theory

Author : Nenad Trinajstic
Publisher : Routledge
ISBN 13 : 1351461567
Total Pages : 268 pages
Book Rating : 4.3/5 (514 download)

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Book Synopsis Chemical Graph Theory by : Nenad Trinajstic

Download or read book Chemical Graph Theory written by Nenad Trinajstic and published by Routledge. This book was released on 2018-05-11 with total page 268 pages. Available in PDF, EPUB and Kindle. Book excerpt: New Edition! Completely Revised and Updated Chemical Graph Theory, 2nd Edition is a completely revised and updated edition of a highly regarded book that has been widely used since its publication in 1983. This unique book offers a basic introduction to the handling of molecular graphs - mathematical diagrams representing molecular structures. Using mathematics well within the vocabulary of most chemists, this volume elucidates the structural aspects of chemical graph theory: (1) the relationship between chemical and graph-theoretical terminology, elements of graph theory, and graph-theoretical matrices; (2) the topological aspects of the Hückel theory, resonance theory, and theories of aromaticity; and (3) the applications of chemical graph theory to structure-property and structure-activity relationships and to isomer enumeration. An extensive bibliography covering the most relevant advances in theory and applications is one of the book's most valuable features. This volume is intended to introduce the entire chemistry community to the applications of graph theory and will be of particular interest to theoretical organic and inorganic chemists, physical scientists, computational chemists, and those already involved in mathematical chemistry.

Essays in the Philosophy of Chemistry

Author : Eric R. Scerri
Publisher : Oxford University Press
ISBN 13 : 019049459X
Total Pages : 421 pages
Book Rating : 4.1/5 (94 download)

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Book Synopsis Essays in the Philosophy of Chemistry by : Eric R. Scerri

Download or read book Essays in the Philosophy of Chemistry written by Eric R. Scerri and published by Oxford University Press. This book was released on 2016 with total page 421 pages. Available in PDF, EPUB and Kindle. Book excerpt: The philosophy of chemistry has emerged in recent years as a new and autonomous field within the Anglo-American philosophical tradition. With the development of this new discipline, Eric Scerri and Grant Fisher's Essays in the Philosophy of Chemistry is a timely and definitive guide to all current thought in this field. This edited volume will serve to map out the distinctive features of the field and its connections to the philosophies of the natural sciences and general philosophy of science more broadly. It will be a reference for students and professional alike. Both the philosophy of chemistry and philosophies of scientific practice alike reflect the splitting of analytical and continental scholastic traditions, and some philosophers are turning for inspiration from the familiar resources of analytical philosophy to influences from the continental tradition and pragmatism. While philosophy of chemistry is practiced very much within the familiar analytical tradition, it is also capable of trail-blazing new philosophical approaches. In such a way, the seemingly disparate disciplines such as the hard sciences and philosophy become much more linked.

Big Data Analytics in Chemoinformatics and Bioinformatics

Author : Subhash C. Basak
Publisher : Elsevier
ISBN 13 : 0323857140
Total Pages : 503 pages
Book Rating : 4.3/5 (238 download)

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Book Synopsis Big Data Analytics in Chemoinformatics and Bioinformatics by : Subhash C. Basak

Download or read book Big Data Analytics in Chemoinformatics and Bioinformatics written by Subhash C. Basak and published by Elsevier. This book was released on 2022-12-06 with total page 503 pages. Available in PDF, EPUB and Kindle. Book excerpt: Big Data Analytics in Chemoinformatics and Bioinformatics: With Applications to Computer-Aided Drug Design, Cancer Biology, Emerging Pathogens and Computational Toxicology provides an up-to-date presentation of big data analytics methods and their applications in diverse fields. The proper management of big data for decision-making in scientific and social issues is of paramount importance. This book gives researchers the tools they need to solve big data problems in these fields. It begins with a section on general topics that all readers will find useful and continues with specific sections covering a range of interdisciplinary applications. Here, an international team of leading experts review their respective fields and present their latest research findings, with case studies used throughout to analyze and present key information. Brings together the current knowledge on the most important aspects of big data, including analysis using deep learning and fuzzy logic, transparency and data protection, disparate data analytics, and scalability of the big data domain Covers many applications of big data analysis in diverse fields such as chemistry, chemoinformatics, bioinformatics, computer-assisted drug/vaccine design, characterization of emerging pathogens, and environmental protection Highlights the considerable benefits offered by big data analytics to science, in biomedical fields and in industry

Mathematical Physics in Theoretical Chemistry

Author : S. M. Blinder
Publisher : Elsevier
ISBN 13 : 0128137010
Total Pages : 423 pages
Book Rating : 4.1/5 (281 download)

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Book Synopsis Mathematical Physics in Theoretical Chemistry by : S. M. Blinder

Download or read book Mathematical Physics in Theoretical Chemistry written by S. M. Blinder and published by Elsevier. This book was released on 2018-11-26 with total page 423 pages. Available in PDF, EPUB and Kindle. Book excerpt: Mathematical Physics in Theoretical Chemistry deals with important topics in theoretical and computational chemistry. Topics covered include density functional theory, computational methods in biological chemistry, and Hartree-Fock methods. As the second volume in the Developments in Physical & Theoretical Chemistry series, this volume further highlights the major advances and developments in research, also serving as a basis for advanced study. With a multidisciplinary and encompassing structure guided by a highly experienced editor, the series is designed to enable researchers in both academia and industry stay abreast of developments in physical and theoretical chemistry. Brings together the most important aspects and recent advances in theoretical and computational chemistry Covers computational methods for small molecules, density-functional methods, and computational chemistry on personal and quantum computers Presents cutting-edge developments in theoretical and computational chemistry that are applicable to graduate students and research professionals in chemistry, physics, materials science and biochemistry

Advances in Chemical Engineering

Author :
Publisher : Academic Press
ISBN 13 : 9780080922928
Total Pages : 496 pages
Book Rating : 4.9/5 (229 download)

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Book Synopsis Advances in Chemical Engineering by :

Download or read book Advances in Chemical Engineering written by and published by Academic Press. This book was released on 2008-09-22 with total page 496 pages. Available in PDF, EPUB and Kindle. Book excerpt: The cross-fertilization of physico-chemical and mathematical ideas has a long historical tradition. This volume of Advances in Chemical Engineering is almost completely dedicated to a conference on “Mathematics in Chemical Kinetics and Engineering (MaCKiE-2007), which was held in Houston in February 2007, bringing together about 40 mathematicians, chemists, and chemical engineers from 10 countries to discuss the application and development of mathematical tools in their respective fields. * Updates and informs the reader on the latest research findings using original reviews * Written by leading industry experts and scholars * Reviews and analyzes developments in the field

Systems Biology Application in Synthetic Biology

Author : Shailza Singh
Publisher : Springer
ISBN 13 : 813222809X
Total Pages : 160 pages
Book Rating : 4.1/5 (322 download)

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Book Synopsis Systems Biology Application in Synthetic Biology by : Shailza Singh

Download or read book Systems Biology Application in Synthetic Biology written by Shailza Singh and published by Springer. This book was released on 2016-09-08 with total page 160 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book introduces students to methods that will help them understand behaviour in terms of cellular components and their interactions in non-intuitive ways, which calls for an interdisciplinary approach combining mathematical, chemical, computational and biological strategies. Tibor Ganti was one of the early pioneers who proposed a theoretical framework to understand living principles in terms of chemical transformation cycles and their coupling. The twenty-first century then brought with it a novel ‘systems’ paradigm, which shone new light on all previous work and was accompanied by numerous implications for the way we conceive of chemical and biological complexity today. This book seeks to equip students to take advantage of any field that investigates living systems. Based on a conceptualisation of science-oriented branches, engineering-oriented branches and biology as astoundingly complex fields, those structures laden with biochemical detail encompass a deeper theory unifying our knowledge of designed systems. Readers will be pleasantly surprised at how lucidly the topics are presented. The book offers an indispensable resource for students and professionals working in systems and synthetic biology or any of the various related fields of research.

Applied Chemistry and Chemical Engineering, Volume 2

Author : A. K. Haghi
Publisher : CRC Press
ISBN 13 : 1771885599
Total Pages : 370 pages
Book Rating : 4.7/5 (718 download)

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Book Synopsis Applied Chemistry and Chemical Engineering, Volume 2 by : A. K. Haghi

Download or read book Applied Chemistry and Chemical Engineering, Volume 2 written by A. K. Haghi and published by CRC Press. This book was released on 2017-12-22 with total page 370 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book covers many important aspects of applied chemistry and chemical engineering, focusing on three main aspects: principles, methodology and evaluation methods. It presents a selection of chapters on recent developments of theoretical, mathematical, and computational conceptions, as well as chapters on modeling and simulation of specific research themes covering applied chemistry and chemical engineering. This book attempts to bridge the gap between classical analysis and modern applications. Covering a selection of topics within the field of applied chemistry and chemical engineering, the book is divided into several parts: polymer chemistry and technology bioorganic and biological chemistry nanoscale technology selected topics This book is the second of the two-volume series Applied Chemistry and Chemical Engineering. The first volume is Volume 1: Mathematical and Analytical Techniques.

The Cahn–Hilliard Equation: Recent Advances and Applications

Author : Alain Miranville
Publisher : SIAM
ISBN 13 : 1611975921
Total Pages : 216 pages
Book Rating : 4.6/5 (119 download)

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Book Synopsis The Cahn–Hilliard Equation: Recent Advances and Applications by : Alain Miranville

Download or read book The Cahn–Hilliard Equation: Recent Advances and Applications written by Alain Miranville and published by SIAM. This book was released on 2019-09-09 with total page 216 pages. Available in PDF, EPUB and Kindle. Book excerpt: This is the first book to present a detailed discussion of both classical and recent results on the popular Cahn–Hilliard equation and some of its variants. The focus is on mathematical analysis of Cahn–Hilliard models, with an emphasis on thermodynamically relevant logarithmic nonlinear terms, for which several questions are still open. Initially proposed in view of applications to materials science, the Cahn–Hilliard equation is now applied in many other areas, including image processing, biology, ecology, astronomy, and chemistry. In particular, the author addresses applications to image inpainting and tumor growth. Many chapters include open problems and directions for future research. The Cahn-Hilliard Equation: Recent Advances and Applications is intended for graduate students and researchers in applied mathematics, especially those interested in phase separation models and their generalizations and applications to other fields. Materials scientists also will find this text of interest.

Molten Salt Chemistry

Author : Gleb Mamantov
Publisher : Springer Science & Business Media
ISBN 13 : 9400938632
Total Pages : 538 pages
Book Rating : 4.4/5 (9 download)

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Book Synopsis Molten Salt Chemistry by : Gleb Mamantov

Download or read book Molten Salt Chemistry written by Gleb Mamantov and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 538 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molten salts are of considerable significance to chemical technology. Applications range from the established ones, such as the production of aluminum, magnesium, sodium and fluorine, to those as yet to be fully exploited, such as molten salt batteries and fuel cells, catalysis, and solar energy. Molten salts are investigated for different purposes by many diverse techniques. There is a need to keep investigators working in different areas, such as metal production, power sources, and glass industry, aware of progress in various specialties, as well as to familiarize new research workers with the fundamental aspects of the broad field of molten salt _ chemistry. This volume constitutes the plenary lectures presented at the NATO Advanced Study Institute on Molten Salt Chemistry, Camerino, Italy, August 3-15, 1986. The fundamentals and several selected applications of molten salt chemistry were addressed. The major fundamental topics covered at this ASI were the structure of melts, thermodynamics of molten salt mixtures, theoretical and experimental studies of transport processes, metal-metal salt solutions, solvent properties of melt systems, acid-base effects in molten salt chemistry, electronic absorption, vibrational, and nuclear magnetic resonance spectroscopy of melt systems, electrochemistry and electroanalytical chemistry in molten salts, and organic chemistry in molten salts. The applied aspects of molten salt chemistry included the chemistry of aluminum production, electrodeposition using molten salts, and molten salt batteries and fuel cells.

Mathematical Physical Chemistry

Author : Shu Hotta
Publisher : Springer
ISBN 13 : 9811076715
Total Pages : 627 pages
Book Rating : 4.8/5 (11 download)

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Book Synopsis Mathematical Physical Chemistry by : Shu Hotta

Download or read book Mathematical Physical Chemistry written by Shu Hotta and published by Springer. This book was released on 2018-01-23 with total page 627 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book introduces basic concepts of mathematical physics to chemists. Many textbooks and monographs of mathematical physics may appear daunting to them. Unlike other, related books, however, this one contains a practical selection of material, particularly for graduate and undergraduate students majoring in chemistry. The book first describes quantum mechanics and electromagnetism, with the relation between the two being emphasized. Although quantum mechanics covers a broad field in modern physics, the author focuses on a hydrogen(like) atom and a harmonic oscillator with regard to the operator method. This approach helps chemists understand the basic concepts of quantum mechanics aided by their intuitive understanding without abstract argument, as chemists tend to think of natural phenomena and other factors intuitively rather than only logically. The study of light propagation, reflection, and transmission in dielectric media is of fundamental importance. This book explains these processes on the basis of Maxwell equations. The latter half of the volume deals with mathematical physics in terms of vectors and their transformation in a vector space. Finally, as an example of chemical applications, quantum chemical treatment of methane is introduced, including a basic but essential explanation of Green functions and group theory. Methodology developed by the author will also prove to be useful to physicists.

Advanced Concepts and Applications

Author : Fidele Ntie-Kang
Publisher : Walter de Gruyter GmbH & Co KG
ISBN 13 : 3110668890
Total Pages : 343 pages
Book Rating : 4.1/5 (16 download)

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Book Synopsis Advanced Concepts and Applications by : Fidele Ntie-Kang

Download or read book Advanced Concepts and Applications written by Fidele Ntie-Kang and published by Walter de Gruyter GmbH & Co KG. This book was released on 2021-11-22 with total page 343 pages. Available in PDF, EPUB and Kindle. Book excerpt: Vol. 2 of Chemoinformatics of Natural Products introduces the reader to the currently available tools for toxicity prediction, drug property prediction, an enumeration of compounds, scaffolds and functional groups in nature, computational methods for lead identification, metabolite biosynthesis, etc. Selected case studies and hands-on tutorial exercises have been included.