{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,29]],"date-time":"2026-04-29T11:22:10Z","timestamp":1777461730256,"version":"3.51.4"},"reference-count":34,"publisher":"MDPI AG","issue":"15","license":[{"start":{"date-parts":[[2024,7,23]],"date-time":"2024-07-23T00:00:00Z","timestamp":1721692800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>With the help of electrochemical methods, including CV and EIS, the influence of methimazole, carbimazole, and the concentration of the supporting electrolyte on the kinetics and mechanism of zinc electroreduction on a mercury electrode was compared and analyzed. Moreover, molecular dynamics simulations of zinc\/carbimazole and zinc\/methimazole solutions were carried out to determine the effect of drugs on the hydration sphere of Zn2+ ions. It was shown that the electroreduction of Zn2+ in the presence of methimazole and carbimazole occurs in two steps and the first one determines the kinetics of the entire process. The presence of both drugs in the solution and the increase in the concentration of the supporting electrolyte reduce the degree of hydration of the depolarizer ions and the hydration of the electrode surface, what is a factor favoring the rate of electroreduction. Based on theoretical studies, the formation of stable complexes between Zn2+ and the molecules of both drugs in a solution was considered unlikely. However, active complexes can be formed between depolarizer ions and molecules adsorbed at the electrode surface. They constitute a bridge facilitating charge exchange during the electrode reaction, revealing the catalytic abilities of methimazole and carbimazole. In the range of cdrug \u2264 1 \u00d7 10\u22123 mol dm\u22123, carbimazole is a better catalyst, whereas in the range of cdrug \u2265 5 \u00d7 10\u22123 mol dm\u22123, it is methimazole. The effectiveness of both compounds in catalyzing the first stage of the electrode reaction increases with the increase in the NaClO4 concentration.<\/jats:p>","DOI":"10.3390\/molecules29153455","type":"journal-article","created":{"date-parts":[[2024,7,24]],"date-time":"2024-07-24T08:47:17Z","timestamp":1721810837000},"page":"3455","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":4,"title":["The Comparison of Catalytic Activity of Carbimazole and Methimazole on Electroreduction of Zinc (II) in Chlorates (VII): Experimental and Molecular Modelling Study"],"prefix":"10.3390","volume":"29","author":[{"given":"Jolanta","family":"Nieszporek","sequence":"first","affiliation":[{"name":"Department of Analytical Chemistry, Institute of Chemical Sciences, Faculty of Chemistry, Maria Curie-Sklodowska University in Lublin, pl. Maria Curie-Sklodowska 3, 20031 Lublin, Poland"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5487-119X","authenticated-orcid":false,"given":"Tomasz","family":"Pa\u0144czyk","sequence":"additional","affiliation":[{"name":"Jerzy Haber Institute of Catalysis and Surface Chemistry, Polish Academy of Sciences, ul. Niezapominajek 8, 30239 Cracow, Poland"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4132-5499","authenticated-orcid":false,"given":"Krzysztof","family":"Nieszporek","sequence":"additional","affiliation":[{"name":"Department of Theoretical Chemistry, Institute of Chemical Sciences, Faculty of Chemistry, Maria Curie-Sklodowska University in Lublin, pl. Maria Curie-Sklodowska 3, 20031 Lublin, Poland"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"1968","published-online":{"date-parts":[[2024,7,23]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","unstructured":"Pereira, J.K.A., Costa, A.G.C., Rodrigues, E.S.B., Mac\u00eado, I.Y.L., Pereira, M.O.A., Menegatti, R., de Oliveira, S.C.B., Guimar\u00e3es, F., Li\u00e3o, L.M., and Sabino, J.R. (2023). LQFM289: Electrochemical and Computational Studies of a New Trimetozine Analogue for Anxiety Treatment. Int. J. Mol. Sci., 24.","DOI":"10.3390\/ijms241914575"},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"101446","DOI":"10.1016\/j.coelec.2024.101446","article-title":"Electrochemical study of drug metabolism","volume":"44","author":"Nikzad","year":"2024","journal-title":"Curr. Opin. 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