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Pregled bibliografske jedinice broj: 933849

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


Havaić, Valentina; Djaković, Senka; Lapić, Jasmina; Weitner, Tin; Šakić, Davor; Vrček, Valerije
Reduction Potential of Ferrocenoyl-Substituted Nucleobases. Experimental and Computational Study // Croatica chemica acta, 90 (2017), 4; 589-594 doi:10.5562/cca3229 (međunarodna recenzija, članak, znanstveni)


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

Autori
Havaić, Valentina ; Djaković, Senka ; Lapić, Jasmina ; Weitner, Tin ; Šakić, Davor ; Vrček, Valerije

Izvornik
Croatica chemica acta (0011-1643) 90 (2017), 4; 589-594

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

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

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.

Izvorni jezik
Engleski

Znanstvena područja
Kemija



POVEZANOST RADA


Projekt / tema
HRZZ-IP-2016-06-1137 - Kvantno-kemijski dizajn, priprava i biološka svojstva organometalnih derivata nukleobaza (Valerije Vrček, )

Ustanove
Farmaceutsko-biokemijski fakultet, Zagreb,
Prehrambeno-biotehnološki fakultet, Zagreb

Profili:

Avatar Url Jasmina Lapić (autor)

Avatar Url Senka Djaković (autor)

Avatar Url Valerije Vrček (autor)

Avatar Url Tin Weitner (autor)

Citiraj ovu publikaciju

Havaić, Valentina; Djaković, Senka; Lapić, Jasmina; Weitner, Tin; Šakić, Davor; Vrček, Valerije
Reduction Potential of Ferrocenoyl-Substituted Nucleobases. Experimental and Computational Study // Croatica chemica acta, 90 (2017), 4; 589-594 doi:10.5562/cca3229 (međunarodna recenzija, članak, znanstveni)
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.
@article{article, year = {2017}, pages = {589-594}, DOI = {10.5562/cca3229}, keywords = {redox potential, ferrocene, nucleobase, cyclic voltammetry, density functional}, journal = {Croatica chemica acta}, doi = {10.5562/cca3229}, volume = {90}, number = {4}, issn = {0011-1643}, title = {Reduction Potential of Ferrocenoyl-Substituted Nucleobases. Experimental and Computational Study}, keyword = {redox potential, ferrocene, nucleobase, cyclic voltammetry, density functional} }

Časopis indeksira:


  • Current Contents Connect (CCC)
  • Web of Science Core Collection (WoSCC)
    • Science Citation Index Expanded (SCI-EXP)
    • SCI-EXP, SSCI i/ili A&HCI
  • Scopus


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