QSPR Study on the Bioconcentration Factors of Nonionic Organic Compounds in Fish by Characteristic Root Index and Semiempirical Molecular Descriptors

2004 ◽  
Vol 44 (3) ◽  
pp. 985-992 ◽  
Author(s):  
Melek Türker Saçan ◽  
Safiye Sag Erdem ◽  
Gül Altınbas Özpınar ◽  
Isıl Akmehmet Balcıoglu
Keyword(s):  
Organic Compounds ◽  
Molecular Descriptors ◽  
Characteristic Root ◽  
Bioconcentration Factors ◽  
Qspr Study

Correlations between Molecular Descriptors from Various Volatile Organic Compounds and Photocatalytic Oxidation Kinetic Constants

2013 ◽  
Vol 11 (2) ◽  
pp. 799-813 ◽  
Author(s):  
Cécile Raillard ◽  
Valérie Héquet ◽  
Bifen Gao ◽  
Heyok Choi ◽  
Dionysios D. Dionysiou ◽  
...  
Keyword(s):  
Volatile Organic Compounds ◽  
Organic Compounds ◽  
Photocatalytic Oxidation ◽  
Molecular Descriptors ◽  
Equilibrium Constants ◽  
Oxidation Kinetic ◽  
Chemical Properties ◽  
Physico Chemical ◽  
Degradation Rates ◽  
Volatile Organic

Abstract The photocatalytic oxidation of seven typical indoor volatile organic compounds (VOCs) is experimentally investigated using novel nanocrystalline TiO2 dip-coated catalysts. Not only the role of hydrophilicity of the reactants but also other physico-chemical properties and molecular descriptors are studied and related to kinetic and equilibrium constants. The main objective of this work consists in establishing simple relationships that will be useful to deepen the understanding of gas-phase heterogeneous photocatalytic mechanisms and for the prediction of degradation rates of these VOCs using an indoor air treatment process.

A quantitative prediction of the viscosity of ionic liquids using Sσ-profilemolecular descriptors

2015 ◽  
Vol 17 (5) ◽  
pp. 3761-3767 ◽  
Author(s):  
Yongsheng Zhao ◽  
Ying Huang ◽  
Xiangping Zhang ◽  
Suojiang Zhang
Keyword(s):  
Ionic Liquids ◽  
Molecular Descriptors ◽  
Quantitative Prediction ◽  
Qspr Study

A QSPR study of ILs using MLR and SVM algorithms based on COSMO-RS molecular descriptors (Sσ-profile).

scholarly journals QSPR Modeling of Bioconcentration Factors of Nonionic Organic Compounds

2010 ◽  
Vol 4 ◽  
pp. EHI.S5168 ◽  
Author(s):  
Omar Deeb ◽  
Padmakar V. Khadikar ◽  
Mohammad Goodarzi
Keyword(s):  
Organic Compounds ◽  
Bioconcentration Factors ◽  
Qspr Modeling
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