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https://doi.org/10.5562/cca3229

Reduction Potential of Ferrocenoyl-Substituted Nucleobases. Experimental and Computational Study

Valentina Havaić ; Faculty of Pharmacy and Biochemistry, University of Zagreb, Ante Kovačića 1, HR-10000, Zagreb, Croatia
Senka Djaković   ORCID icon orcid.org/0000-0002-6322-1770 ; Faculty of Food Technology and Biotechnology, University of Zagreb, Pierottijeva 6, HR-10000, Zagreb, Croatia
Jasmina Lapić   ORCID icon orcid.org/0000-0003-3177-7536 ; Faculty of Food Technology and Biotechnology, University of Zagreb, Pierottijeva 6, HR-10000, Zagreb, Croatia
Tin Weitner ; Faculty of Pharmacy and Biochemistry, University of Zagreb, Ante Kovačića 1, HR-10000, Zagreb, Croatia
Davor Šakić   ORCID icon orcid.org/0000-0002-8871-6622 ; Faculty of Pharmacy and Biochemistry, University of Zagreb, Ante Kovačića 1, HR-10000, Zagreb, Croatia
Valerije Vrček   ORCID icon orcid.org/0000-0003-1624-8126 ; Faculty of Pharmacy and Biochemistry, University of Zagreb, Ante Kovačića 1, HR-10000, Zagreb, Croatia

Puni tekst: engleski, pdf (2 MB) str. 589-594 preuzimanja: 280* citiraj
APA 6th Edition
Havaić, V., Djaković, S., Lapić, J., Weitner, T., Šakić, D. i Vrček, V. (2017). Reduction Potential of Ferrocenoyl-Substituted Nucleobases. Experimental and Computational Study. Croatica Chemica Acta, 90 (4), 589-594. https://doi.org/10.5562/cca3229
MLA 8th Edition
Havaić, Valentina, et al. "Reduction Potential of Ferrocenoyl-Substituted Nucleobases. Experimental and Computational Study." Croatica Chemica Acta, vol. 90, br. 4, 2017, str. 589-594. https://doi.org/10.5562/cca3229. Citirano 28.09.2020.
Chicago 17th Edition
Havaić, Valentina, Senka Djaković, Jasmina Lapić, Tin Weitner, Davor Šakić i Valerije Vrček. "Reduction Potential of Ferrocenoyl-Substituted Nucleobases. Experimental and Computational Study." Croatica Chemica Acta 90, br. 4 (2017): 589-594. https://doi.org/10.5562/cca3229
Harvard
Havaić, V., et al. (2017). 'Reduction Potential of Ferrocenoyl-Substituted Nucleobases. Experimental and Computational Study', Croatica Chemica Acta, 90(4), str. 589-594. https://doi.org/10.5562/cca3229
Vancouver
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 [pristupljeno 28.09.2020.];90(4):589-594. https://doi.org/10.5562/cca3229
IEEE
V. Havaić, S. Djaković, J. Lapić, T. Weitner, D. Šakić i V. Vrček, "Reduction Potential of Ferrocenoyl-Substituted Nucleobases. Experimental and Computational Study", Croatica Chemica Acta, vol.90, br. 4, str. 589-594, 2017. [Online]. https://doi.org/10.5562/cca3229

Sažetak
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.

Creative Commons License This work is licensed under a Creative Commons Attribution 4.0 International License.

Ključne riječi
redox potential; ferrocene; nucleobase; cyclic voltammetry; density functional

Hrčak ID: 198183

URI
https://hrcak.srce.hr/198183

Posjeta: 412 *