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Pregled bibliografske jedinice broj: 738165

DFT study and microbiology of some coumarin-based compounds containing a chalcone moiety

Špirtović-Halilović, Selma; Salihović, Mirsada; Džudžević- Čančar, Hurija; Trifunović, Snežana; Roca, Sunčica; Softić, Dženita; Završnik, Davorka
DFT study and microbiology of some coumarin-based compounds containing a chalcone moiety // Journal of the Serbian Chemical Society, 79 (2014), 4; 435-443 doi:10.2298/JSC130628077S (međunarodna recenzija, članak, znanstveni)

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Naslov
DFT study and microbiology of some coumarin-based compounds containing a chalcone moiety

Autori
Špirtović-Halilović, Selma ; Salihović, Mirsada ; Džudžević- Čančar, Hurija ; Trifunović, Snežana ; Roca, Sunčica ; Softić, Dženita ; Završnik, Davorka

Izvornik
Journal of the Serbian Chemical Society (0352-5139) 79 (2014), 4; 435-443

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

Ključne riječi
coumarins ; chemical reactivity descriptors antimicrobial activity ; HOMO and LUMO studies

Sažetak
In the present investigation, a series of coumarin-based compounds containing a chalcone moiety were studied for their in vitro and in silico properties. DFT global chemical reactivity descriptors (chemical hardness, total energy, electronic chemical potential and electrophilicity) are calculated for four synthesized compounds and used to predict their relative stability and reactivity. The antibacterial activities of all compounds have been screened against Bacillus subtilis (ATCC No. 6633) and Bacillus cereus (ATCC No. 11778). Quantum-chemical calculations indicate that antibacterial activity correlates well with chemical reactivity descriptors of molecules.

Izvorni jezik
Engleski

Znanstvena područja
Kemija



POVEZANOST RADA

Ustanove:
Institut "Ruđer Bošković", Zagreb

Profili:

Avatar Url Sunčica Roca (autor)

Poveznice na cjeloviti tekst rada:

doi fulir.irb.hr www.shd.org.rs

Citiraj ovu publikaciju:

Špirtović-Halilović, Selma; Salihović, Mirsada; Džudžević- Čančar, Hurija; Trifunović, Snežana; Roca, Sunčica; Softić, Dženita; Završnik, Davorka
DFT study and microbiology of some coumarin-based compounds containing a chalcone moiety // Journal of the Serbian Chemical Society, 79 (2014), 4; 435-443 doi:10.2298/JSC130628077S (međunarodna recenzija, članak, znanstveni)
Špirtović-Halilović, S., Salihović, M., Džudžević- Čančar, H., Trifunović, S., Roca, S., Softić, D. & Završnik, D. (2014) DFT study and microbiology of some coumarin-based compounds containing a chalcone moiety. Journal of the Serbian Chemical Society, 79 (4), 435-443 doi:10.2298/JSC130628077S.
@article{article, author = {\v{S}pirtovi\'{c}-Halilovi\'{c}, Selma and Salihovi\'{c}, Mirsada and D\v{z}ud\v{z}evi\'{c}- \v{C}an\v{c}ar, Hurija and Trifunovi\'{c}, Sne\v{z}ana and Roca, Sun\v{c}ica and Softi\'{c}, D\v{z}enita and Zavr\v{s}nik, Davorka}, year = {2014}, pages = {435-443}, DOI = {10.2298/JSC130628077S}, keywords = {coumarins, chemical reactivity descriptors antimicrobial activity, HOMO and LUMO studies}, journal = {Journal of the Serbian Chemical Society}, doi = {10.2298/JSC130628077S}, volume = {79}, number = {4}, issn = {0352-5139}, title = {DFT study and microbiology of some coumarin-based compounds containing a chalcone moiety}, keyword = {coumarins, chemical reactivity descriptors antimicrobial activity, HOMO and LUMO studies} }
@article{article, author = {\v{S}pirtovi\'{c}-Halilovi\'{c}, Selma and Salihovi\'{c}, Mirsada and D\v{z}ud\v{z}evi\'{c}- \v{C}an\v{c}ar, Hurija and Trifunovi\'{c}, Sne\v{z}ana and Roca, Sun\v{c}ica and Softi\'{c}, D\v{z}enita and Zavr\v{s}nik, Davorka}, year = {2014}, pages = {435-443}, DOI = {10.2298/JSC130628077S}, keywords = {coumarins, chemical reactivity descriptors antimicrobial activity, HOMO and LUMO studies}, journal = {Journal of the Serbian Chemical Society}, doi = {10.2298/JSC130628077S}, volume = {79}, number = {4}, issn = {0352-5139}, title = {DFT study and microbiology of some coumarin-based compounds containing a chalcone moiety}, keyword = {coumarins, chemical reactivity descriptors antimicrobial activity, HOMO and LUMO studies} }

Časopis indeksira:


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

Uključenost u ostale bibliografske baze podataka::


  • Analytical Abstracts
  • Scopus
  • Chemical Abstracts Plus (CAplusSM)
  • Directory of Open Access Journals
  • Referativnyi Zhurnal (VINITI)
  • MINABS Online

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