The Experts below are selected from a list of 93 Experts worldwide ranked by ideXlab platform

Alireza Sabour Rouhaghdam - One of the best experts on this subject based on the ideXlab platform.

  • Electrocatalytic oxidation of phenol from wastewater using Ti/SnO2-Sb2O4 electrode: Chemical Reaction Pathway study.
    Environmental science and pollution research international, 2016
    Co-Authors: Mahshid Loloi, Abbas Rezaee, Mahmood Aliofkhazraei, Alireza Sabour Rouhaghdam
    Abstract:

    In this study, a titanium plate was impregnated with SnO2 and Sb (Ti/SnO2–Sb2O4) for the electrocatalytic removal of phenol from wastewater, and the Chemical degradation Pathway was presented. The effects of various parameters such as pH, current density, supporting electrolyte, and initial phenol concentration were studied. At optimum conditions, it was found that phenol was quickly oxidized into benzoquinone because of the formation of various strong radicals during electrolysis by the Ti/SnO2–Sb2O4 anode from 100 to

  • electrocatalytic oxidation of phenol from wastewater using ti sno2 sb2o4 electrode Chemical Reaction Pathway study
    Environmental Science and Pollution Research, 2016
    Co-Authors: Mahshid Loloi, Abbas Rezaee, Mahmood Aliofkhazraei, Alireza Sabour Rouhaghdam
    Abstract:

    In this study, a titanium plate was impregnated with SnO2 and Sb (Ti/SnO2–Sb2O4) for the electrocatalytic removal of phenol from wastewater, and the Chemical degradation Pathway was presented. The effects of various parameters such as pH, current density, supporting electrolyte, and initial phenol concentration were studied. At optimum conditions, it was found that phenol was quickly oxidized into benzoquinone because of the formation of various strong radicals during electrolysis by the Ti/SnO2–Sb2O4 anode from 100 to <1 mg/L over 1 h. The results of GC/MS analysis showed the presence of some esters of organic acid such as oxalic acid and formic acid. HPLC analysis showed only trace amounts of benzoquinone remaining in the solution. The efficiency of TOC removal at the Ti/SnO2–Sb2O4 anode surface showed a degradation rate of 49 % over 2 h. Results showed that the molecular oxygen potential at the electrode was 1.7 V. The phenol removal mechanism at the surface of the Ti/SnO2–Sb2O4 anode was influenced by the pH. Under acidic conditions, the mechanism of electron transfer occurred directly, whereas under alkaline conditions, the mechanism can be indirect. This research shows that the proposed electrolyte can significantly influence the efficiency of phenol removal. It can be concluded that the treatment using an appropriate Ti/SnO2–Sb2O4 electrode surface can result in the rapid oxidation of organic pollutants.

Alexandre Varnek - One of the best experts on this subject based on the ideXlab platform.

  • Combined Graph/Relational Database Management System for Calculated Chemical Reaction Pathway Data.
    Journal of chemical information and modeling, 2021
    Co-Authors: Timur R. Gimadiev, R. I. Nugmanov, Dinar Batyrshin, Timur I. Madzhidov, Satoshi Maeda, Pavel Sidorov, Alexandre Varnek
    Abstract:

    Presently, quantum Chemical calculations are widely used to generate extensive data sets for machine learning applications; however, generally, these sets only include information on equilibrium structures and some close conformers. Exploration of potential energy surfaces provides important information on ground and transition states, but analysis of such data is complicated due to the number of possible Reaction Pathways. Here, we present RePathDB, a database system for managing 3D structural data for both ground and transition states resulting from quantum Chemical calculations. Our tool allows one to store, assemble, and analyze Reaction Pathway data. It combines relational database CGR DB for handling compounds and Reactions as molecular graphs with a graph database architecture for Pathway analysis by graph algorithms. Original condensed graph of Reaction technology is used to store any Chemical Reaction as a single graph.

  • combined graph relational database management system for calculated Chemical Reaction Pathway data
    Journal of Chemical Information and Modeling, 2021
    Co-Authors: Timur R. Gimadiev, R. I. Nugmanov, Dinar Batyrshin, Timur I. Madzhidov, Satoshi Maeda, Pavel Sidorov, Alexandre Varnek
    Abstract:

    Presently, quantum Chemical calculations are widely used to generate extensive data sets for machine learning applications; however, generally, these sets only include information on equilibrium structures and some close conformers. Exploration of potential energy surfaces provides important information on ground and transition states, but analysis of such data is complicated due to the number of possible Reaction Pathways. Here, we present RePathDB, a database system for managing 3D structural data for both ground and transition states resulting from quantum Chemical calculations. Our tool allows one to store, assemble, and analyze Reaction Pathway data. It combines relational database CGR DB for handling compounds and Reactions as molecular graphs with a graph database architecture for Pathway analysis by graph algorithms. Original condensed graph of Reaction technology is used to store any Chemical Reaction as a single graph.

  • Combined Graph/relational Database Management System for Calculated Chemical Reaction Pathway Data
    2020
    Co-Authors: Timur R. Gimadiev, R. I. Nugmanov, Dinar Batyrshin, Timur I. Madzhidov, Satoshi Maeda, Pavel Sidorov, Alexandre Varnek
    Abstract:

    Nowadays quantum Chemical calculations are widely used to generate extensive datasets for machine learning applications, however, generally these sets only include information on equilibrium structures and some close conformers. Exploration of potential energy surface provides an important information on ground and transition states, but analysis of such data is complicated due to the number of possible Reaction Pathways. Here, we present RePathDB, a database system for managing 3D structural data for both ground and transition states resulted from quantum Chemical calculations. Our tool allows to store, to assemble and to analyze Reaction Pathway data. It combines relational database CGR DB for handling compounds and Reactions as molecular graphs with a graph database architecture for the Pathway analysis by graph algorithms. Original Condensed Graph of Reaction Technology is used to store any Chemical Reaction as a single graph.

Mahshid Loloi - One of the best experts on this subject based on the ideXlab platform.

  • Electrocatalytic oxidation of phenol from wastewater using Ti/SnO2-Sb2O4 electrode: Chemical Reaction Pathway study.
    Environmental science and pollution research international, 2016
    Co-Authors: Mahshid Loloi, Abbas Rezaee, Mahmood Aliofkhazraei, Alireza Sabour Rouhaghdam
    Abstract:

    In this study, a titanium plate was impregnated with SnO2 and Sb (Ti/SnO2–Sb2O4) for the electrocatalytic removal of phenol from wastewater, and the Chemical degradation Pathway was presented. The effects of various parameters such as pH, current density, supporting electrolyte, and initial phenol concentration were studied. At optimum conditions, it was found that phenol was quickly oxidized into benzoquinone because of the formation of various strong radicals during electrolysis by the Ti/SnO2–Sb2O4 anode from 100 to

  • electrocatalytic oxidation of phenol from wastewater using ti sno2 sb2o4 electrode Chemical Reaction Pathway study
    Environmental Science and Pollution Research, 2016
    Co-Authors: Mahshid Loloi, Abbas Rezaee, Mahmood Aliofkhazraei, Alireza Sabour Rouhaghdam
    Abstract:

    In this study, a titanium plate was impregnated with SnO2 and Sb (Ti/SnO2–Sb2O4) for the electrocatalytic removal of phenol from wastewater, and the Chemical degradation Pathway was presented. The effects of various parameters such as pH, current density, supporting electrolyte, and initial phenol concentration were studied. At optimum conditions, it was found that phenol was quickly oxidized into benzoquinone because of the formation of various strong radicals during electrolysis by the Ti/SnO2–Sb2O4 anode from 100 to <1 mg/L over 1 h. The results of GC/MS analysis showed the presence of some esters of organic acid such as oxalic acid and formic acid. HPLC analysis showed only trace amounts of benzoquinone remaining in the solution. The efficiency of TOC removal at the Ti/SnO2–Sb2O4 anode surface showed a degradation rate of 49 % over 2 h. Results showed that the molecular oxygen potential at the electrode was 1.7 V. The phenol removal mechanism at the surface of the Ti/SnO2–Sb2O4 anode was influenced by the pH. Under acidic conditions, the mechanism of electron transfer occurred directly, whereas under alkaline conditions, the mechanism can be indirect. This research shows that the proposed electrolyte can significantly influence the efficiency of phenol removal. It can be concluded that the treatment using an appropriate Ti/SnO2–Sb2O4 electrode surface can result in the rapid oxidation of organic pollutants.

Mahmood Aliofkhazraei - One of the best experts on this subject based on the ideXlab platform.

  • Electrocatalytic oxidation of phenol from wastewater using Ti/SnO2-Sb2O4 electrode: Chemical Reaction Pathway study.
    Environmental science and pollution research international, 2016
    Co-Authors: Mahshid Loloi, Abbas Rezaee, Mahmood Aliofkhazraei, Alireza Sabour Rouhaghdam
    Abstract:

    In this study, a titanium plate was impregnated with SnO2 and Sb (Ti/SnO2–Sb2O4) for the electrocatalytic removal of phenol from wastewater, and the Chemical degradation Pathway was presented. The effects of various parameters such as pH, current density, supporting electrolyte, and initial phenol concentration were studied. At optimum conditions, it was found that phenol was quickly oxidized into benzoquinone because of the formation of various strong radicals during electrolysis by the Ti/SnO2–Sb2O4 anode from 100 to

  • electrocatalytic oxidation of phenol from wastewater using ti sno2 sb2o4 electrode Chemical Reaction Pathway study
    Environmental Science and Pollution Research, 2016
    Co-Authors: Mahshid Loloi, Abbas Rezaee, Mahmood Aliofkhazraei, Alireza Sabour Rouhaghdam
    Abstract:

    In this study, a titanium plate was impregnated with SnO2 and Sb (Ti/SnO2–Sb2O4) for the electrocatalytic removal of phenol from wastewater, and the Chemical degradation Pathway was presented. The effects of various parameters such as pH, current density, supporting electrolyte, and initial phenol concentration were studied. At optimum conditions, it was found that phenol was quickly oxidized into benzoquinone because of the formation of various strong radicals during electrolysis by the Ti/SnO2–Sb2O4 anode from 100 to <1 mg/L over 1 h. The results of GC/MS analysis showed the presence of some esters of organic acid such as oxalic acid and formic acid. HPLC analysis showed only trace amounts of benzoquinone remaining in the solution. The efficiency of TOC removal at the Ti/SnO2–Sb2O4 anode surface showed a degradation rate of 49 % over 2 h. Results showed that the molecular oxygen potential at the electrode was 1.7 V. The phenol removal mechanism at the surface of the Ti/SnO2–Sb2O4 anode was influenced by the pH. Under acidic conditions, the mechanism of electron transfer occurred directly, whereas under alkaline conditions, the mechanism can be indirect. This research shows that the proposed electrolyte can significantly influence the efficiency of phenol removal. It can be concluded that the treatment using an appropriate Ti/SnO2–Sb2O4 electrode surface can result in the rapid oxidation of organic pollutants.

Abbas Rezaee - One of the best experts on this subject based on the ideXlab platform.

  • Electrocatalytic oxidation of phenol from wastewater using Ti/SnO2-Sb2O4 electrode: Chemical Reaction Pathway study.
    Environmental science and pollution research international, 2016
    Co-Authors: Mahshid Loloi, Abbas Rezaee, Mahmood Aliofkhazraei, Alireza Sabour Rouhaghdam
    Abstract:

    In this study, a titanium plate was impregnated with SnO2 and Sb (Ti/SnO2–Sb2O4) for the electrocatalytic removal of phenol from wastewater, and the Chemical degradation Pathway was presented. The effects of various parameters such as pH, current density, supporting electrolyte, and initial phenol concentration were studied. At optimum conditions, it was found that phenol was quickly oxidized into benzoquinone because of the formation of various strong radicals during electrolysis by the Ti/SnO2–Sb2O4 anode from 100 to

  • electrocatalytic oxidation of phenol from wastewater using ti sno2 sb2o4 electrode Chemical Reaction Pathway study
    Environmental Science and Pollution Research, 2016
    Co-Authors: Mahshid Loloi, Abbas Rezaee, Mahmood Aliofkhazraei, Alireza Sabour Rouhaghdam
    Abstract:

    In this study, a titanium plate was impregnated with SnO2 and Sb (Ti/SnO2–Sb2O4) for the electrocatalytic removal of phenol from wastewater, and the Chemical degradation Pathway was presented. The effects of various parameters such as pH, current density, supporting electrolyte, and initial phenol concentration were studied. At optimum conditions, it was found that phenol was quickly oxidized into benzoquinone because of the formation of various strong radicals during electrolysis by the Ti/SnO2–Sb2O4 anode from 100 to <1 mg/L over 1 h. The results of GC/MS analysis showed the presence of some esters of organic acid such as oxalic acid and formic acid. HPLC analysis showed only trace amounts of benzoquinone remaining in the solution. The efficiency of TOC removal at the Ti/SnO2–Sb2O4 anode surface showed a degradation rate of 49 % over 2 h. Results showed that the molecular oxygen potential at the electrode was 1.7 V. The phenol removal mechanism at the surface of the Ti/SnO2–Sb2O4 anode was influenced by the pH. Under acidic conditions, the mechanism of electron transfer occurred directly, whereas under alkaline conditions, the mechanism can be indirect. This research shows that the proposed electrolyte can significantly influence the efficiency of phenol removal. It can be concluded that the treatment using an appropriate Ti/SnO2–Sb2O4 electrode surface can result in the rapid oxidation of organic pollutants.