About: pK(a) constant determination of two triazole pesticides: tebuconazole and penconazole

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	We determined the acidity constants of tebuconazole and penconazole, two fungicides from the group of 1,2,4-triazoles. Potentiometric titrations were performed in a 20 % (v/v) acetonitrile/water mixture at 25 °C and at a fixed ionic strength (KNO3, 0.1 moldm-3). The pKa values (representing thermodynamic constants) were determined to be 5.0 ± 0.1 and 5.2 ± 0.1 for tebuconazole and penconazole, respectively. These values could be used in pure water solutions to consider the protonated or deprotonated forms when studying the field behavior of these fungicides. Molecular modeling calculations allowed identifying the N4 atom as the protonation site. We determined the acidity constants of tebuconazole and penconazole, two fungicides from the group of 1,2,4-triazoles. Potentiometric titrations were performed in a 20 % (v/v) acetonitrile/water mixture at 25 °C and at a fixed ionic strength (KNO3, 0.1 moldm-3). The pKa values (representing thermodynamic constants) were determined to be 5.0 ± 0.1 and 5.2 ± 0.1 for tebuconazole and penconazole, respectively. These values could be used in pure water solutions to consider the protonated or deprotonated forms when studying the field behavior of these fungicides. Molecular modeling calculations allowed identifying the N4 atom as the protonation site. (en)
Title	pK(a) constant determination of two triazole pesticides: tebuconazole and penconazole pK(a) constant determination of two triazole pesticides: tebuconazole and penconazole (en)
skos:prefLabel	pK(a) constant determination of two triazole pesticides: tebuconazole and penconazole pK(a) constant determination of two triazole pesticides: tebuconazole and penconazole (en)
skos:notation	RIV/60460709:41330/13:60283!RIV14-MSM-41330___
http://linked.open...avai/predkladatel	Fakulta životního prostředí
http://linked.open...avai/riv/aktivita	S
http://linked.open...avai/riv/aktivity	S
http://linked.open...iv/cisloPeriodika	5
http://linked.open...vai/riv/dodaniDat	2014
http://linked.open...aciTvurceVysledku	Komárek, Michael
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Česká zemědělská univerzita v Praze / Fakulta životního prostředí
http://linked.open...dnocenehoVysledku	96328
http://linked.open...ai/riv/idVysledku	RIV/60460709:41330/13:60283
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	triazole pesticides, potentiometric titrations, protonation constant, protonation site, molecular modeling (en)
http://linked.open.../riv/klicoveSlovo	potentiometric titrations protonation site triazole pesticides molecular modeling protonation constant
http://linked.open...odStatuVydavatele	CZ - Česká republika
http://linked.open...ontrolniKodProRIV	[642C0F0C80B6]
http://linked.open...i/riv/nazevZdroje	JOURNAL OF SOLUTION CHEMISTRY
http://linked.open...in/vavai/riv/obor	CB
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	6 (xsd:int)
http://linked.open...UplatneniVysledku	2013
http://linked.open...v/svazekPeriodika	42
http://linked.open...iv/tvurceVysledku	Komárek, Michael Čadková, Eva Bollinger, Jean-Claude Bordas, François Della Puppa, Loic Debord, Jean
http://linked.open...ain/vavai/riv/wos	000321284600013
issn	0095-9782
number of pages	8 (xsd:int)
http://localhost/t...ganizacniJednotka	41330

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