Complexation and stability of the fungicide penconazole in the presence of zinc and copper ions

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F20%3A00521525" target="_blank" >RIV/61388963:_____/20:00521525 - isvavai.cz</a>

Alternative codes found

RIV/00216208:11310/20:10411004 RIV/60460709:41210/20:81864 RIV/00216208:11510/20:10411004

Result on the web

<a href="https://onlinelibrary.wiley.com/doi/full/10.1002/rcm.8714" target="_blank" >https://onlinelibrary.wiley.com/doi/full/10.1002/rcm.8714</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1002/rcm.8714" target="_blank" >10.1002/rcm.8714</a>

Result language

angličtina

Original language name

Complexation and stability of the fungicide penconazole in the presence of zinc and copper ions

Original language description

Rationale: For the risk assessment of penconazole in the environment and the evaluation of the possible consequences of its use, it is important to determine how its reactivity and degradation are influenced by metals commonly found in nature, such as copper and zinc. Methods: Changes in the reactivity of penconazole in the presence of zinc/copper ions were studied using electrospray ionisation mass spectrometry and density functional theory calculations. Results: Many penconazole complexes with copper and zinc ions were created, a comparison of the elements showed that a few complexes were formed analogously (doubly charged complexes with four penconazole molecules, singly charged complexes with chlorine as a counterion and singly charged complexes with deprotonated penconazole as a counterion). The metal complexes with different structures indicated different reactivity of penconazole with copper and zinc. Conclusions: The experimental and computational approaches have revealed different changes in the structure of penconazole. In the Zn(II) complex, penconazole deprotonated to stabilise the bond to Zn(II). In the Cu(II) complex, it loses one chlorine atom, creates an additional ring between the triazole ring and the phenyl ring, and/or creates a double bond in the short aliphatic chain.n

Czech name

—

Czech description

—

Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

—

OECD FORD branch

10403 - Physical chemistry

Project

<a href="/en/project/GA18-01710S" target="_blank" >GA18-01710S: GROUP INTERACTIONS OF AZOLE PESTICIDES AND THEIR EFFECTS ON ESSENTIAL ENZYMES</a><br>

Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2020

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Rapid Communications in Mass Spectrometry

ISSN

0951-4198

e-ISSN

—

Volume of the periodical

34

Issue of the periodical within the volume

9

Country of publishing house

GB - UNITED KINGDOM

Number of pages

6

Pages from-to

e8714

UT code for WoS article

000529870500006

EID of the result in the Scopus database

2-s2.0-85083637016