QSAR and SPECTRAL-SAR in Computational Ecotoxicology
QSAR and SPECTRAL-SAR in Computational Ecotoxicology

Author: Mihai V. Putz

Publisher: CRC Press

Published: 2012-07-19

Total Pages: 244

ISBN-13: 1926895134

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QSAR and SPECTRAL-SAR in Computational Ecotoxicology presents a collection of studies based on the epistemological bulk data-information-knowledge of the chemicals used in green chemistry. It assesses a specific model of pattern characterization of concerned active substances at the bio-, eco-, and pharmacologic levels through unitary formulation of the effector-receptor binding degree potential, including the logistic type by employing a computational algebraic quantitative structure-activity relationship (QSAR) model called SPECTRAL-SAR. It aims to minimize the residual recorded activities in the experiments that study the enzymic, ionic liquid, antagonists, and allosteric inhibition interactions. The book covers: The classic QSAR approach The new SPECTRAL-SAR approach How to draw SPECTRAL-SAR maps for predicting ecotoxicological mechanisms for a given series of toxicants and single or multi-species in an open system Biological activity as related to chemical reactivity through associate descriptors This book will be very useful in advanced courses on computational ecotoxicology, drug design and interaction, methods in quantum and computational chemistry, chemical molding, chemical bonding, and others.

Quantum Nanochemistry, Volume Five
Quantum Nanochemistry, Volume Five

Author: Mihai V. Putz

Publisher: CRC Press

Published: 2016-04-27

Total Pages: 608

ISBN-13: 1498729576

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Volume 5 of the 5-volume Quantum Nanochemistry focuses on modeling and predicting of the enzyme kinetics and quantitative structure-activity relationships. It reveals the quantum implications to bio-organic and bio-inorganic systems, to enzyme kinetics, and to pharmacophore binding sites of chemical-biological interaction of molecules through cell

Ionic Liquids
Ionic Liquids

Author: Jun-ichi Kadokawa

Publisher: BoD – Books on Demand

Published: 2013-01-23

Total Pages: 710

ISBN-13: 9535109375

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Concerns with ionic liquids are one of the most interesting and rapidly developing areas in modern physical chemistry, materials science, technologies, and engineering. Increasing attention has also been paid to the use of ionic liquids in the research fields of biological aspects and natural resources. This book provides the forum for dissemination and exchange of up-to-date scientific information on theoretical, generic, and applied areas of ionic liquids. It, therefore, tends to review recent progresses in ionic liquid research on fundamental properties, solvents and catalysts in organic reactions, biological applications, providing energies and fuels, biomass conversions, functional materials, and other applications. I trust that this book will provide an active source of information for research in ionic liquid science and engineering.

New Frontiers in Nanochemistry: Concepts, Theories, and Trends
New Frontiers in Nanochemistry: Concepts, Theories, and Trends

Author: Mihai Putz

Publisher: CRC Press

Published: 2020-05-06

Total Pages: 575

ISBN-13: 0429665873

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New Frontiers in Nanochemistry: Concepts, Theories, and Trends, Volume 2: Topological Nanochemistry is the second of the new three-volume set that explains and explores the important basic and advanced modern concepts in multidisciplinary chemistry. Under the broad expertise of the editor, this second volume explores the rich research areas of nanochemistry with a specific focus on the design and control of nanotechnology by structural and reactive topology. The objective of this particular volume is to emphasize the application of nanochemistry. With 46 entries from eminent international scientists and scholars, the content in this volume spans concepts from A-to-Z—from entries on the atom-bond connectivity index to the Zagreb indices, from connectivity to vapor phase epitaxy, and from fullerenes to topological reactivity—and much more. The definitions within the text are accompanied by brief but comprehensive explicative essays as well as figures, tables, etc., providing a holistic understanding of the concepts presented.

The Cube of Strategic Management
The Cube of Strategic Management

Author: Mihai V. Putz

Publisher: CRC Press

Published: 2019-10-16

Total Pages: 264

ISBN-13: 0429673736

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The Cube of Strategic Management: The Distinctive Advantage of Organizations is a trans-disciplinary book that introduces the author’s new business model of the geometrization of management. The author advocates that strategic management has to shift to include a science and technology perspective, to not only support business administration but also to make this scientific perspective an inherent part of management strategy building. The book spans the fundamental and the theoretical aspects and advances this new management model in response to the current and future 21st-century synergic interconnection needs in addressing management and marketing post-modern strategies. The book is a quintessence of the historical theories of the various 8th fold ideas of management (Taylor, Drucker, Peters & Waterman, Covey) and applies them in an innovative new way. The author uses the cube and its 8 corners for the first time to represent 8 forms of the strategic management way of business, in that the 8 corners of a cube represent the competitive advantage of (any) organization.

Advances in Mathematical Chemistry and Applications: Volume 2
Advances in Mathematical Chemistry and Applications: Volume 2

Author: Subhash C. Basak

Publisher: Elsevier

Published: 2016-02-11

Total Pages: 356

ISBN-13: 1681080524

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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

Exotic Properties of Carbon Nanomatter
Exotic Properties of Carbon Nanomatter

Author: Mihai V. Putz

Publisher: Springer

Published: 2015-03-07

Total Pages: 400

ISBN-13: 9401795673

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This title reports the state-of-the-art advancements in modeling and characterization of fundamental and the recently designed carbon based nanocomposites (graphenes, fullerenes, polymers, crystals and allotropic forms). Written by leading experts in the field, the book explores the quantification, indexing, and interpretation of physical and chemical exotic properties related with space-time structure-evolution, phase transitions, chemical reactivity, and topology. Exotic Properties of Carbon Nanomatter is aimed at researchers in academia and industry.

Engineering Tools in the Beverage Industry
Engineering Tools in the Beverage Industry

Author: Alexandru Grumezescu

Publisher: Woodhead Publishing

Published: 2019-02-08

Total Pages: 504

ISBN-13: 0128156988

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Engineering Tools in the Beverage Industry, Volume Three in The Science of Beverages series, is an invaluable resource for anyone in the beverages field who is involved with quality assurance, lab analysis, and the safety of beverage products. The book offers updates on the latest techniques and applications, including extraction, biochemical isotope analysis, metabolomics, microfiltration, and encapsulation. Users will find this book to be an excellent resource for industrial research in an ever-changing field. Provides practical tools and techniques for research and development in beverages. Offers analysis strategies for beverage quality evaluation. Presents analytical methods for ingredient authenticity.

Chemometrics and Cheminformatics in Aquatic Toxicology
Chemometrics and Cheminformatics in Aquatic Toxicology

Author: Kunal Roy

Publisher: John Wiley & Sons

Published: 2022-01-06

Total Pages: 596

ISBN-13: 1119681596

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CHEMOMETRICS AND CHEMINFORMATICS IN AQUATIC TOXICOLOGY Explore chemometric and cheminformatic techniques and tools in aquatic toxicology Chemometrics and Cheminformatics in Aquatic Toxicology delivers an exploration of the existing and emerging problems of contamination of the aquatic environment through various metal and organic pollutants, including industrial chemicals, pharmaceuticals, cosmetics, biocides, nanomaterials, pesticides, surfactants, dyes, and more. The book discusses different chemometric and cheminformatic tools for non-experts and their application to the analysis and modeling of toxicity data of chemicals to various aquatic organisms. You’ll learn about a variety of aquatic toxicity databases and chemometric software tools and webservers as well as practical examples of model development, including illustrations. You’ll also find case studies and literature reports to round out your understanding of the subject. Finally, you’ll learn about tools and protocols including machine learning, data mining, and QSAR and ligand-based chemical design methods. Readers will also benefit from the inclusion of: A thorough introduction to chemometric and cheminformatic tools and techniques, including machine learning and data mining An exploration of aquatic toxicity databases, chemometric software tools, and webservers Practical examples and case studies to highlight and illustrate the concepts contained within the book A concise treatment of chemometric and cheminformatic tools and their application to the analysis and modeling of toxicity data Perfect for researchers and students in chemistry and the environmental and pharmaceutical sciences, Chemometrics and Cheminformatics in Aquatic Toxicology will also earn a place in the libraries of professionals in the chemical industry and regulators whose work involves chemometrics.