Quantum Nanochemistry, Volume Five : Quantum Structure-Activity Relationships (Qu-SAR) book cover
1st Edition

Quantum Nanochemistry, Volume Five
Quantum Structure-Activity Relationships (Qu-SAR)

ISBN 9781774631034
Published March 31, 2021 by Apple Academic Press
622 Pages 23 Color & 346 B/W Illustrations

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Book Description

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).

Table of Contents

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

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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 the 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 the International Academy of Mathematical Chemistry.


"[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)