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
-
Caenorhabditis elegans Databases
Current Genomics Nanoparticulate Drug Delivery in Pregnancy: Placental Passage and Fetal Exposure
Current Pharmaceutical Biotechnology Preface
Current Analytical Chemistry Sugar Sulfamates for Seizure Control: Discovery and Development of Topiramate, a Structurally Unique Antiepileptic Drug
Current Topics in Medicinal Chemistry Prediction of Allergenic Proteins by Means of the Concept of Chou’s Pseudo Amino Acid Composition and a Machine Learning Approach
Medicinal Chemistry GSK3 Inhibitors and Disease
Mini-Reviews in Medicinal Chemistry Molecular Modeling of Peptide Derivatives NS3 Protease Inhibitors of the Type 2 Dengue Virus
Current Physical Chemistry Metabolism-based Drug-drug Interactions in Patients with Chronic Respiratory Diseases: A Review Focusing on Drugs Affecting the Respiratory System
Current Drug Metabolism Topological Organic Chemistry: From Distance Matrix to Timisoara Eccentricity
Current Organic Chemistry Cruzipain: An Update on its Potential as Chemotherapy Target against the Human Pathogen Trypanosoma cruzi
Current Medicinal Chemistry Novel Research Strategies of Benzimidazole Derivatives: A Review
Mini-Reviews in Medicinal Chemistry Pulmonary Hypertension in the Critically Ill
Current Hypertension Reviews Targeting Transcription Factor Binding to DNA by Competing with DNA Binders as an Approach for Controlling Gene Expression
Current Topics in Medicinal Chemistry Immunotherapy for Gastroesophageal Tumors: Is there still Hope for Efficacy?
Current Cancer Drug Targets Mechanical Ventilation of the Neonate: Principles and Strategies
Current Respiratory Medicine Reviews Peptide Drugs QSAR Study Based on Topomer CoMFA
Letters in Drug Design & Discovery Predicting Drug Metabolism Induction In Silico
Current Topics in Medicinal Chemistry Discovery of JANUVIA <sup>TM</sup> (Sitagliptin), a Selective Dipeptidyl Peptidase IV Inhibitor for the Treatment of Type2 Diabetes.
Current Topics in Medicinal Chemistry Synthesis, Characterization and Antitumor Activity of Novel Triazole/ Isoxazole Tagged Pyridine Hybrids
Letters in Organic Chemistry Matrix Metalloproteinases as Valid Clinical Target
Current Pharmaceutical Design