Nanotechnology

Quantum Nanochemistry: Volume 5
Quantum Structure-Activity Relationships (Qu-SAR)

Mihai V. Putz, PhD

Quantum Nanochemistry: Volume 5

Published. Now available.
Pub Date: March 2016
Hardback Price: $219.95 US
Hard ISBN: 9781771881371
E-Book ISBN: 9781498729574
Pages: 622 pages with index
Binding Type: hardback
Notes: 23 color and 346 b/w illustrations


Reviews
“[This book] is of vanguardist value, while offering analytical insight and control to QSAR modeling, by algebraic (inherently quantum) approach as an alternative to already classical statistical methods, while not being disjointed yet rather complementary to it, so highly contributing to the QSAR field toward offering a true theory of chemical-biological interactions and mechanisms. . . .Thus, I heartily recommend this book by Mihai V. Putz for its use and study equally for training of the freshman (including graduate and Master students) in quantum eco-pharmaco-toxicity and QSAR as well by advanced researchers (as PhD students and post-docs) for modeling, ordering and interpreting the chemical-biological data by the nano-structural (i.e. quantum nanochemical) causes of the biological activities as recorded (observable) effects.”
Mircea V. Diudea, Department of Organic Chemistry, Faculty of Chemistry and Chemical Engineering, Babes-Bolyai University of Cluj-Napoca, Romania (from the Foreword to Volume 5)

“Overall, these five volumes cover a lot of material and work well to unite physicists and chemists as quantum scientists. . . . Dr. Putz has drawn on his peer-reviewed papers, lectures, conversations, and other sources to write a five-volume set entitled Quantum Nanochemistry. In these volumes, Professor Putz aims to illuminate the physical underpinnings of matter. While the properties and interactions of matter have been well-described by many classical theories, quantum theory is needed to describe matter below the atomic scale. In these volumes, Professor Putz hopes to unite materials scientists, physicists, chemists, and others as quantum scientists, who use analytical descriptions of matter to inform their work. Concepts and ideas from engineering and materials science are mixed with those from chemistry and the history of science. . . . These books reduce all concepts to mathematic and analytic descriptions whenever possible, so readers will be able to follow the main themes, especially for those with a strong background in physics and mathematics. The books heavily reflect the author’s presentations and past work, yet the later volumes draw extensively from the literature. The books include many references for interested parties to explore. The books also include a number of informative tables and figures that could serve as helpful references; however, despite the emphasis on teaching and describing analytic work, there are no example problems given.”
Structural Chemistry, by Benjamin D. Smith, Department of Chemistry, Science Center, Saint Francis University, Loretto, PA

““This book, with its 2889 pages in five volumes, represents an impressive piece of work written by a single author. The wide variety of topics covered by the book reveals the author’s deep and encyclopedic knowledge of quantum theory. The author identifies himself as a theoretical physicist, and characterizes his book as a compilation of his lecture notes which he has used within his classes. The author’s favorite topics can be easily recognized in all five volumes. The sections on the history of quantum theory examine concepts and fundamental quantum theories in retrospect, and may prove useful and amusing reading for lecturers teaching quantum theory. Moreover, the unconventional look at some problems related to quantum theory may prove inspiring for experts actively working in the field. Students may find some useful material in the book . . . ”
International Journal of Molecular Sciences, by Petr Čársky, J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, Prague, Czech Republic

“[This book] is of vanguardist value, while offering analytical insight and control to QSAR modeling, by algebraic (inherently quantum) approach as an alternative to already classical statistical methods, while not being disjointed yet rather complementary to it, so highly contributing to the QSAR field toward offering a true theory of chemical-biological interactions and mechanisms. . . .Thus, I heartily recommend this book by Mihai V. Putz for its use and study equally for training of the freshman (including graduate and Master students) in quantum eco-pharmaco-toxicity and QSAR as well by advanced researchers (as PhD students and post-docs) for modeling, ordering and interpreting the chemical-biological data by the nano-structural (i.e. quantum nanochemical) causes of the biological activities as recorded (observable) effects.”
—Mircea V. Diudea, Department of Organic Chemistry, Faculty of Chemistry and Chemical Engineering, Babes-Bolyai University of Cluj-Napoca, Romania (from the Foreword to Volume 5)



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 membranes in targeting specific bindings modeled by celebrated QSARs (Quantitative Structure-Activity Relationships) here reshaped as Qu-SAR (Quantum Structure-Activity Relationships).

Volume 5 of Quantum Nanochemistry

  • presents in an analytical manner the chemical complex interaction with biological ecotoxicological and pharmacological environment
  • explicates in a two-fold manner the ligand-receptor paradigm, by the enzyme-substrate interaction, and by chemical drug-biological cell/organism couplings
  • adapts the quantum approach of chemical phenomena and chemical reactivity principles at the cell’s level
  • introduces the logistic approach for enzyme-substrate interaction
  • introduces the algebraic (vectorial) spectral/path models of ligand-receptor interaction
  • characterizes the chemical-biological interaction by orthogonal condition of chemical structure
  • reviews the main principles of statistics and correlation analysis in agreement with the main QSAR-OECD principles
  • formulates complementary pictures of modeling biological activity by various QSAR realizations and combinations: Spectral-, Spectral-SMILES-, topo-Reactivity-, Residual-, and Projective—QuSARs
  • formalizes the chemical-biological interaction by variational principles of the least path principle
  • predicts the biological activity by appropriate combination between the logistic enzyme kinetics and vectorial/algebraic/spectral-QSAR in the so called logistic-QSAR approach.
Titles in the 5-volume Quantum Nanochemistry set:
Volume 1: Quantum Theory and Observability
Volume 2: Quantum Atoms and Periodicity
Volume 3: Quantum Molecules and Reactivity
Volume 4: Quantum Solids and Orderability
Volume 5: Quantum Structure-Activity Relationships (Qu-SAR)

See information on the complete set here: http://www.appleacademicpress.com/title.php?id=9781771881388

CONTENTS:
Preface
Foreword by Mircea V. Diudea, Babes-Bolyai University of Cluj-Napoca, Romania
1. Logistic Enzyme Kinetics
2. Statistical Space for Multivariate Correlations
3. Chemical Orthogonal Spaces for Structure-Activity Relationship (COS-SAR)
Index


About the Authors / Editors:
Mihai V. Putz, PhD
Associate Professor at Faculty of Chemistry, Biology, Geography, Laboratory of Computational and Structural Physical Chemistry for Nanosciences and QSAR, West University of Timisoara, Romania

Mihai V. Putz, PhD is a laureate in physics (1997), with an MS degree in spectroscopy (1999), and PhD degree in chemistry (2002), with many post-doctorate stages: in chemistry (2002-2003) and in physics (2004, 2010, 2011) at the University of Calabria, Italy, and Free University of Berlin, Germany, respectively. He is currently Associate Professor of theoretical and computational physical chemistry at West University of Timisoara, Romania. He has made valuable contributions in computational, quantum, and physical chemistry through seminal works that appeared in many international journals. He actively promoted a new method of defining electronegativity, DFE (Density Functional Electronegativity), among new enzyme kinetics (Logistic Enzyme Kinetics), a new formalization of the structure-activity relationship (SPECTRAL-SAR) model, and recently the bondonic quasi-particle theory of the chemical bonding first application on nanosystems as graphene, all seeking for a unitary quantum approach of the chemical structure and reactivity targeting the bio-, pharmaco-, and ecological analytical description. He is Editor-in-Chief of the International Journal of Chemical Modelling and the International Journal of Environmental Sciences. He is member of many professional societies and has received several national and international awards from the Romanian National Authority of Scientific Research (2008), the German Academic Exchange Service DAAD (2000, 2004, 2011), and the Center of International Cooperation of Free University Berlin (2010). He is the leader of the Laboratory of Computational and Structural Physical Chemistry for Nanosciences and QSAR at Biology-Chemistry Department of West University of Timisoara, Romania, where he conducts research in the fundamental and applicative fields of quantum physical-chemistry and QSAR. In 2010 Mihai V. Putz was declared through a national competition the Best Researcher of Romania, while in 2013 he was recognized among the first Dr. Habil. in Chemistry in Romania. In 2013 he was appointed Scientific Director of newly founded Laboratory of Structural and Computational Physical Chemistry for Nanosciencs and QSAR in his alma mater of West University of Timisoara, while from 2014, he was recognized by the Romanian Ministry of Research as Principal Investigator of the first degree, and also becoming full member of International Academy of Mathematical Chemistry.




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