Abstract
Due to the current increasing interest in extended nanosystems, such as fullerenes and graphenes, based on fundamental organic systems, polycyclic aromatic hydrocarbons (PAHs) have been recognized as highly important structures. PAHs are important because they comprise a benchmark structure for iteratively generating nanostructures and directly produce metabolites with a toxicological impact that has not been discerned in our post-industrial global era. Moreover, PAHs are the primary carbon structures in interstellar dust clouds, according to recent data from astrophysical and exochemical studies. The work herein presents each aspect from a synthetic perspective; PAHs are analyzed by illustrating the PAH chemical-biological interaction mechanism driven by chemical reactivity indices (electronegativity, chemical hardness, and related characteristics, such as electrophilicity and chemical power). Both the gas phase and partially de-bonding active space (related to Simplified Molecular Input Line Entry System - SMILES) structures are employed. We used Quantitative Structure-Activity Relationships (QSAR) analysis to show that the latter better correlates with the available lipophilicity (considered herein using the computed LogP, which is the octanol-water partition coefficient) by measuring the propensity for diverse PAHs towards cellular wall transduction.
Keywords: PAHs' synthesis, Exochemistry, Chemical target, Extended nanosystems' precursors, Ecotoxicity, Chemical reactivity, Mechanism of action, Lipophilicity, SMILES, Orthogonal space of QSAR.
Current Organic Chemistry
Title:Structure Properties and Chemical-Bio/Ecological of PAH Interactions: From Synthesis to Cosmic Spectral Lines, Nanochemistry, and Lipophilicity-Driven Reactivity
Volume: 17 Issue: 23
Author(s): Mihai V. Putz, Marina-Alexandra Tudoran and Ana-Maria Putz
Affiliation:
Keywords: PAHs' synthesis, Exochemistry, Chemical target, Extended nanosystems' precursors, Ecotoxicity, Chemical reactivity, Mechanism of action, Lipophilicity, SMILES, Orthogonal space of QSAR.
Abstract: Due to the current increasing interest in extended nanosystems, such as fullerenes and graphenes, based on fundamental organic systems, polycyclic aromatic hydrocarbons (PAHs) have been recognized as highly important structures. PAHs are important because they comprise a benchmark structure for iteratively generating nanostructures and directly produce metabolites with a toxicological impact that has not been discerned in our post-industrial global era. Moreover, PAHs are the primary carbon structures in interstellar dust clouds, according to recent data from astrophysical and exochemical studies. The work herein presents each aspect from a synthetic perspective; PAHs are analyzed by illustrating the PAH chemical-biological interaction mechanism driven by chemical reactivity indices (electronegativity, chemical hardness, and related characteristics, such as electrophilicity and chemical power). Both the gas phase and partially de-bonding active space (related to Simplified Molecular Input Line Entry System - SMILES) structures are employed. We used Quantitative Structure-Activity Relationships (QSAR) analysis to show that the latter better correlates with the available lipophilicity (considered herein using the computed LogP, which is the octanol-water partition coefficient) by measuring the propensity for diverse PAHs towards cellular wall transduction.
Export Options
About this article
Cite this article as:
Putz V. Mihai, Tudoran Marina-Alexandra and Putz Ana-Maria, Structure Properties and Chemical-Bio/Ecological of PAH Interactions: From Synthesis to Cosmic Spectral Lines, Nanochemistry, and Lipophilicity-Driven Reactivity, Current Organic Chemistry 2013; 17 (23) . https://dx.doi.org/10.2174/13852728113179990130
DOI https://dx.doi.org/10.2174/13852728113179990130 |
Print ISSN 1385-2728 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-5348 |
Call for Papers in Thematic Issues
Advances of Heterocyclic Chemistry with Pesticide Activity
Global food safety and security will continue to be a global concern for the next 50 years and beyond. Plant diseases have had a significant impact on food safety and security throughout the entire food chain, from primary production to consumption. While conventional chemical pesticides have been traditionally used for ...read more
Calculation design of covalent/metal organic framework based catalysts
This research area combines theoretical computation and screening with machine learning for the design of covalent/metal organic framework-based catalysts, bridging the disciplines of organic chemistry, physical chemistry, computational chemistry, materials science, and machine learning. It covers several critical aspects: designing and synthesizing organic catalysts for improved performance, applying computational methods ...read more
Carbohydrates conversion in biofuels and bioproducts
Biomass pretreatment, hydrolysis, and saccharification of carbohydrates, and sugars bioconversion in biofuels and bioproducts within a biorefinery framework. Carbohydrates derived from woody biomass, agricultural wastes, algae, sewage sludge, or any other lignocellulosic feedstock are included in this issue. Simulation, techno-economic analysis, and life cycle analysis of a biorefinery process are ...read more
Catalytic C-H bond activation as a tool for functionalization of heterocycles
The major topic is the functionalization of heterocycles through catalyzed C-H bond activation. The strategies based on C-H activation not only provide straightforward formation of C-C or C-X bonds but, more importantly, allow for the avoidance of pre-functionalization of one or two of the cross-coupling partners. The beneficial impact of ...read more
Related Journals
- Author Guidelines
- Graphical Abstracts
- Fabricating and Stating False Information
- Research Misconduct
- Post Publication Discussions and Corrections
- Publishing Ethics and Rectitude
- Increase Visibility of Your Article
- Archiving Policies
- Peer Review Workflow
- Order Your Article Before Print
- Promote Your Article
- Manuscript Transfer Facility
- Editorial Policies
- Allegations from Whistleblowers
- Announcements
Related Articles
-
Traditional Medicine - A Possible Stop Codon for COVID-19
Current Traditional Medicine Fused and Substituted Pyrimidine Derivatives as Profound Anti-Cancer Agents
Anti-Cancer Agents in Medicinal Chemistry An Integrated Approach to Fragment-Based Lead Generation:Philosophy, Strategy and Case Studies from AstraZenecas Drug Discovery Programmes
Current Topics in Medicinal Chemistry Inhibitors of the Lipid Phosphatase SHIP2 Discovered by High Throughput Affinity Selection-Mass Spectrometry Screening of Combinatorial Libraries
Combinatorial Chemistry & High Throughput Screening On the Structural Basis of the Hypertensive Properties of Angiotensin II: A Solved Mystery or a Controversial Issue?
Current Topics in Medicinal Chemistry Advances in Human Cytochrome P450 and Personalized Medicine
Current Drug Metabolism The Potential of Secondary Metabolites from Plants as Drugs or Leads against <i>Trypanosoma cruzi</i>-An Update from 2012 to 2021
Current Topics in Medicinal Chemistry Adenine-N3 in the DNA Minor Groove - An Emerging Target for Platinum Containing Anticancer Pharmacophores
Anti-Cancer Agents in Medicinal Chemistry Cancer Stem Cells and their Management in Cancer Therapy
Recent Patents on Anti-Cancer Drug Discovery Locked Nucleic Acid Holds Promise in the Treatment of Cancer
Current Pharmaceutical Design Mechanisms of Drug Resistance in Cancer Chemotherapy: Coordinated Role and Regulation of Efflux Transporters and Metabolizing Enzymes
Current Pharmaceutical Design Structural Exploration of Synthetic Chromones as Selective MAO-B Inhibitors: A Mini Review
Combinatorial Chemistry & High Throughput Screening Immunomodulatory Therapeutic Effects of Curcumin on M1/M2 Macrophage Polarization in Inflammatory Diseases
Current Molecular Pharmacology Old Strategies and New Perspectives in Modulating the Endocannabinoid System
Current Bioactive Compounds Synthesis and Biological Evaluation of Novel 4-indolyl-5-phenyl(indolyl)- 1,2-dihydropyrazol-3-ones as Glycogen Synthase Kinase-3β (GSK-3β) Inhibitors
Letters in Drug Design & Discovery Nuclear Architecture and Gene Expression in the Quest for Novel Therapeutics
Current Pharmaceutical Design The Transthyretin Inflammatory State Conundrum
Current Nutrition & Food Science Pixuvri<sup>®</sup> (Pixantrone Dimaleate, BBR 2778): From Lab to Market
Current Organic Chemistry Is Fibroblast Growth Factor Receptor 4 a Suitable Target of Cancer Therapy?
Current Pharmaceutical Design Diffuse Intrinsic Pontine Glioma (DIPG): Breakthrough and Clinical Perspective
Current Medicinal Chemistry