prikaz prve stranice dokumenta Reduction potential of ferrocenoyl-substituted nucleobases. Experimental and computational study
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Scientific paper - Original scientific paper
Reduction potential of ferrocenoyl-substituted nucleobases. Experimental and computational study
Croatica Chemica Acta, 90 (2017), 4; 589-594. https://doi.org/10.5562/cca3229
Havaić, Valentina; Djaković, Senka; Lapić, Jasmina; Weitner, Tin; Šakić, Davor; Vrček, Valerije

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Havaić, V., Djaković, S., Lapić, J., Weitner, T., Šakić, D. & Vrček, V. (2017). Reduction potential of ferrocenoyl-substituted nucleobases. Experimental and computational study. Croatica Chemica Acta, 90. (4), 589-594. doi: 10.5562/cca3229

Havaić, Valentina, et al. "Reduction potential of ferrocenoyl-substituted nucleobases. Experimental and computational study." Croatica Chemica Acta, vol. 90, no. 4, 2017, pp. 589-594. https://doi.org/10.5562/cca3229

Havaić, Valentina, Senka Djaković, Jasmina Lapić, Tin Weitner, Davor Šakić and Valerije Vrček. "Reduction potential of ferrocenoyl-substituted nucleobases. Experimental and computational study." Croatica Chemica Acta 90, no. 4 (2017): 589-594. https://doi.org/10.5562/cca3229

Havaić, V., et al. (2017) 'Reduction potential of ferrocenoyl-substituted nucleobases. Experimental and computational study', Croatica Chemica Acta, 90(4), pp. 589-594. doi: 10.5562/cca3229

Havaić V, Djaković S, Lapić J, Weitner T, Šakić D, Vrček V. Reduction potential of ferrocenoyl-substituted nucleobases. Experimental and computational study. Croatica Chemica Acta [Internet]. 2017 [cited 2024 November 26];90(4):589-594. doi: 10.5562/cca3229

V. Havaić, S. Djaković, J. Lapić, T. Weitner, D. Šakić and V. Vrček, "Reduction potential of ferrocenoyl-substituted nucleobases. Experimental and computational study", Croatica Chemica Acta, vol. 90, no. 4, pp. 589-594, 2017. [Online]. Available at: https://urn.nsk.hr/urn:nbn:hr:163:179779. [Accessed: 26 November 2024]

Metadata
Title (english)Reduction potential of ferrocenoyl-substituted nucleobases. Experimental and computational study
AuthorValentina Havaić
AuthorSenka Djaković https://orcid.org/0000-0002-6322-1770
AuthorJasmina Lapić https://orcid.org/0000-0003-3177-7536
AuthorTin Weitner
AuthorDavor Šakić
AuthorValerije Vrček
Author's institutionUniversity of Zagreb
Faculty of Pharmacy and Biochemistry
(Department of general and inorganic chemistry)
Scientific / art field,
discipline and subdiscipline		NATURAL SCIENCES
Chemistry
Inorganic Chemistry
Abstract (english)
Organometallic derivatives of nucleobases are characterized by distinctive biological and electrochemical properties. In this work, reduction potentials of ferrocenoyl-substituted nucleobases (uracil, 5-fluorouracil, and thymine) were measured by cyclic voltammetry and calculated by using density functional methods. Both experimental (281– 296 mV) and calculated (271–293 mV) values for reduction potential E°’ show that these conjugates are much better oxidants than the parent ferrocene system. In search for the computational model, which can successfully reproduce experimental results, the M06-2X functional appeared as the optimal method in terms of efficiency and accuracy. <br><a rel="license" href="http://creativecommons.org/licenses/by/4.0/"><img alt="Creative Commons License" style="border-width:0" src="https://i.creativecommons.org/l/by/4.0/80x15.png" /></a> This work is licensed under a <a rel="license" href="http://creativecommons.org/licenses/by/4.0/">Creative Commons Attribution 4.0 International License</a>.
Keywords (english)
Languageenglish
Publication typeScientific paper - Original scientific paper
Publication statusPublished
Peer reviewPeer review - international
Publication versionPublished version
Journal titleCroatica Chemica Acta
Numberingvol. 90, no. 4, pp. 589-594
p-ISSN0011-1643
e-ISSN1334-417X
DOIhttps://doi.org/10.5562/cca3229
URN:NBNurn:nbn:hr:163:179779
Publication2017
Document URLhttps://hrcak.srce.hr/198183
Type of resourceText
Access conditionsOpen access
Terms of useLicence In copyright icon
Created on2020-04-14 16:56:48