Mimicking of cyproconazole behavior in the presence of Cu and Zn
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F17%3A00481808" target="_blank" >RIV/61388963:_____/17:00481808 - isvavai.cz</a>
Alternative codes found
RIV/60460709:41210/17:75452 RIV/00216208:11510/17:10373592
Result on the web
<a href="http://dx.doi.org/10.1002/rcm.7988" target="_blank" >http://dx.doi.org/10.1002/rcm.7988</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1002/rcm.7988" target="_blank" >10.1002/rcm.7988</a>
Alternative languages
Result language
angličtina
Original language name
Mimicking of cyproconazole behavior in the presence of Cu and Zn
Original language description
The frequently used pesticide cyproconazole (Cyp) interacts with the essential elements commonly present in soil which play important roles in various enzymatic processes. These interactions predetermine the Cyp degradation pathways. We suggest a simple experimental and theoretical approach for the prediction of pesticide behavior. Cu/Cyp complexes are explored because of the typical Cu(II) reduction in complexes. Its level and the stability of the Cu-ligand bond depend on the type and the number of the surrounding ligands. Zn/Cyp complexes were compared as it is not expected that Zn(II) will reduce. The complexations were studied by means of electrospray ionization ion trap mass spectrometry and MS/MS collision-induced dissociations with comparative and explicative density functional theory calculations. The Cyp ligand allows both Cu(II) reduction as well as, in specific cases, it protects the higher Cu oxidation state. The reduction is observed in the complexes with solely neutral Cyp where the number of ligands is below 3, a higher number protects the Cu(II) state. The metal atom binds to Cyp via N2 of the triazole ring as well as via -electrons of the benzene ring, additional stabilization brings an interaction with the deprotonated OH group. The character of Cyp interactions with doubly charged metals (Cu(II), Zn(II)) clarified the creation of Cyp metabolites. The phenyl and triazole rings are bound to the metal cation and enable access for the isopropyl ring to be cleaved leaving the common metabolite (CAS Number: 58905-19-4).
Czech name
—
Czech description
—
Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
—
OECD FORD branch
10406 - Analytical chemistry
Result continuities
Project
<a href="/en/project/GP13-21409P" target="_blank" >GP13-21409P: Interactions of metal and nutrient ions with high priority pesticides in soil and on biomembranes</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2017
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Rapid Communications in Mass Spectrometry
ISSN
0951-4198
e-ISSN
—
Volume of the periodical
31
Issue of the periodical within the volume
23
Country of publishing house
GB - UNITED KINGDOM
Number of pages
8
Pages from-to
2043-2050
UT code for WoS article
000414600200011
EID of the result in the Scopus database
2-s2.0-85032910844