Application of ACD/LABS 12 Program for Determination of Conditions for Experimental Membrane Extraction of Pesticides
Апстракт
This paper analyzes the conditions for membrane extraction of pesticides using ACD/LABS 12 program. The program contains a large database of more than 2000 compounds and their ionized species, for determining the pKa, further analysis includes 600 new compounds confirmed by Hammetts equation, which gives more precise values for log D and solubility. The 16 pesticides of different classes (organophosphates, carbamates, carbamidas, neonicotinoids etc.) and polarities commonly used in Serbia were examined. The program is used to calculate log D, pKa and solubility at different pH values for the mixture of pesticides. Based on the calculated values, the conditions for the extraction of pesticides in water using two-phase liquid liquid membrane extraction were optimized.
Кључне речи:
ACD/LABS 12 / Pesticides / Membrane extractionИзвор:
Hemijska industrija, 2010, 64, 3, 221-225
DOI: 10.2298/HEMIND091221024D
ISSN: 0367-598X
WoS: 000280041500010
Scopus: 2-s2.0-77954682752
Колекције
Институција/група
VinčaTY - JOUR AU - Đorđević, Jelena S. AU - Trtić-Petrović, Tatjana M. AU - Kumrić, Ksenija AU - Purenović, Milovan M. PY - 2010 UR - https://vinar.vin.bg.ac.rs/handle/123456789/4053 AB - This paper analyzes the conditions for membrane extraction of pesticides using ACD/LABS 12 program. The program contains a large database of more than 2000 compounds and their ionized species, for determining the pKa, further analysis includes 600 new compounds confirmed by Hammetts equation, which gives more precise values for log D and solubility. The 16 pesticides of different classes (organophosphates, carbamates, carbamidas, neonicotinoids etc.) and polarities commonly used in Serbia were examined. The program is used to calculate log D, pKa and solubility at different pH values for the mixture of pesticides. Based on the calculated values, the conditions for the extraction of pesticides in water using two-phase liquid liquid membrane extraction were optimized. T2 - Hemijska industrija T1 - Application of ACD/LABS 12 Program for Determination of Conditions for Experimental Membrane Extraction of Pesticides VL - 64 IS - 3 SP - 221 EP - 225 DO - 10.2298/HEMIND091221024D ER -
@article{ author = "Đorđević, Jelena S. and Trtić-Petrović, Tatjana M. and Kumrić, Ksenija and Purenović, Milovan M.", year = "2010", abstract = "This paper analyzes the conditions for membrane extraction of pesticides using ACD/LABS 12 program. The program contains a large database of more than 2000 compounds and their ionized species, for determining the pKa, further analysis includes 600 new compounds confirmed by Hammetts equation, which gives more precise values for log D and solubility. The 16 pesticides of different classes (organophosphates, carbamates, carbamidas, neonicotinoids etc.) and polarities commonly used in Serbia were examined. The program is used to calculate log D, pKa and solubility at different pH values for the mixture of pesticides. Based on the calculated values, the conditions for the extraction of pesticides in water using two-phase liquid liquid membrane extraction were optimized.", journal = "Hemijska industrija", title = "Application of ACD/LABS 12 Program for Determination of Conditions for Experimental Membrane Extraction of Pesticides", volume = "64", number = "3", pages = "221-225", doi = "10.2298/HEMIND091221024D" }
Đorđević, J. S., Trtić-Petrović, T. M., Kumrić, K.,& Purenović, M. M.. (2010). Application of ACD/LABS 12 Program for Determination of Conditions for Experimental Membrane Extraction of Pesticides. in Hemijska industrija, 64(3), 221-225. https://doi.org/10.2298/HEMIND091221024D
Đorđević JS, Trtić-Petrović TM, Kumrić K, Purenović MM. Application of ACD/LABS 12 Program for Determination of Conditions for Experimental Membrane Extraction of Pesticides. in Hemijska industrija. 2010;64(3):221-225. doi:10.2298/HEMIND091221024D .
Đorđević, Jelena S., Trtić-Petrović, Tatjana M., Kumrić, Ksenija, Purenović, Milovan M., "Application of ACD/LABS 12 Program for Determination of Conditions for Experimental Membrane Extraction of Pesticides" in Hemijska industrija, 64, no. 3 (2010):221-225, https://doi.org/10.2298/HEMIND091221024D . .