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Pregled bibliografske jedinice broj: 890114

Deep eutectic solvents as convenient media for synthesis of novel coumarinyl Schiff bases and their QSAR studies


Molnar, Maja; Komar, Mario; Brahmbhatt, Harshad; Babić, Jurislav; Jokić, Stela; Rastija, Vesna
Deep eutectic solvents as convenient media for synthesis of novel coumarinyl Schiff bases and their QSAR studies // Molecules, 22 (2017), 9; 1482-1 doi:10.3390/molecules22091482 (međunarodna recenzija, članak, znanstveni)


CROSBI ID: 890114 Za ispravke kontaktirajte CROSBI podršku putem web obrasca

Naslov
Deep eutectic solvents as convenient media for synthesis of novel coumarinyl Schiff bases and their QSAR studies

Autori
Molnar, Maja ; Komar, Mario ; Brahmbhatt, Harshad ; Babić, Jurislav ; Jokić, Stela ; Rastija, Vesna

Izvornik
Molecules (1420-3049) 22 (2017), 9; 1482-1

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

Ključne riječi
coumarin ; Schiff base ; deep eutectic solvents ; antioxidant activity ; QSAR

Sažetak
Deep eutectic solvents, as green and environmentally friendly media, were utilized in the synthesis of novel coumarinyl Schiff bases. Novel derivatives were synthesized from 2-((4-methyl-2-oxo-2H-chromen-7- yl)oxy)acetohydrazide and corresponding aldehyde in choline chloride:malonic acid (1:1) based deep eutectic solvent. In these reactions, deep eutectic solvent acted as a solvent and catalyst as well. Novel Schiff bases were synthesized in high yields (65–75%) with no need for further purification, and their structures were confirmed by mass spectra, 1H and 13C NMR. Furthermore, their antioxidant activity was determined and compared to antioxidant activity of previously synthesized derivatives, thus investigating their structure–activity relationship utilizing quantitative structure-activity relationship QSAR studies. Calculation of molecular descriptors has been performed by DRAGON software. The best QSAR model (Rtr = 0.636 ; Rext = 0.709) obtained with three descriptors (MATS3m, Mor22u, Hy) implies that the pairs of atoms higher mass at the path length 3, three- dimensional arrangement of atoms at scattering parameter s = 21 Ǻ−1, and higher number of hydrophilic groups (-OH, -NH) enhanced antioxidant activity. Electrostatic potential surface of the most active compounds showed possible regions for donation of electrons to 1, 1-diphenyl-2-picryhydrazyl (DPPH ) radicals.

Izvorni jezik
Engleski

Znanstvena područja
Kemija, Farmacija



POVEZANOST RADA


Ustanove
Fakultet agrobiotehničkih znanosti Osijek,
Prehrambeno-tehnološki fakultet, Osijek

Profili:

Avatar Url Mario Komar (autor)

Avatar Url Vesna Rastija (autor)

Avatar Url Jurislav Babić (autor)

Avatar Url Stela Jokić (autor)

Avatar Url Maja Molnar (autor)

Citiraj ovu publikaciju

Molnar, Maja; Komar, Mario; Brahmbhatt, Harshad; Babić, Jurislav; Jokić, Stela; Rastija, Vesna
Deep eutectic solvents as convenient media for synthesis of novel coumarinyl Schiff bases and their QSAR studies // Molecules, 22 (2017), 9; 1482-1 doi:10.3390/molecules22091482 (međunarodna recenzija, članak, znanstveni)
Molnar, M., Komar, M., Brahmbhatt, H., Babić, J., Jokić, S. & Rastija, V. (2017) Deep eutectic solvents as convenient media for synthesis of novel coumarinyl Schiff bases and their QSAR studies. Molecules, 22 (9), 1482-1 doi:10.3390/molecules22091482.
@article{article, year = {2017}, pages = {1482-1-1482-16}, DOI = {10.3390/molecules22091482}, keywords = {coumarin, Schiff base, deep eutectic solvents, antioxidant activity, QSAR}, journal = {Molecules}, doi = {10.3390/molecules22091482}, volume = {22}, number = {9}, issn = {1420-3049}, title = {Deep eutectic solvents as convenient media for synthesis of novel coumarinyl Schiff bases and their QSAR studies}, keyword = {coumarin, Schiff base, deep eutectic solvents, antioxidant activity, QSAR} }

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
  • MEDLINE


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