TY  - JOUR
AU  - Salihović, Mirsada
AU  - Pazalja, Mirha
AU  - Špirtović Halilović, Selma
AU  - Veljović, Elma
AU  - Mahmutović-Dizdarević, Irma
AU  - Roca, Sunčica
AU  - Novaković, Irena
AU  - Trifunović, Snežana
PY  - 2021
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/4690
AB  - Two new Schiff bases derived from L-cysteine and substituted benzaldehyde were synthesized: the compound 1 [2-((2-chlorobenzylidene) amino)-3-mercaptopropanoic acid] and the compound 2 [3-mercapto-2-((2-methoxybenzylidene) amino) propanoic acid]. Their structures were confirmed by experimental FT-IR, NMR (1H, 13C), and theoretical methodology DFT (density functional theory). DFT calculations were based on global chemical reactivity indices calculated using the B3LYP/6–31G*, B3LYP/6–31G**, and B3LYP/6–31+G* theory levels. Experimentally and theoretically obtained values for FT-IR and NMR (1H, 13C) of test compounds showed good agreement. The reactivity descriptors of B3LYP (E, EHOMO, ELUMO, dipole moment, ∆ɛ, μ, η, ω) were calculated to predict the stability of newly synthesized compounds. The microbiological activity of the compounds was tested on several Gram-positive bacteria: Staphylococcus aureus, Bacillus subtilis, Clostridium sporogenes, Microccocus luteus and Microccocus flavus. The following Gram-negative bacteria were used to test the compounds: Escherichia coli, Pseudomonas aeruginosa Proteus hauseri, Klebsiella pneumoniae, Salmonella enterica subsp. enterica serovar Enteritidis. Also, the activity on the following yeasts was examined: Candida albicans, Saccharomyces cerevisiae and fungal strain Aspergillus brasilliensis. The Schiff base with chlorine in the structure (the compound 1) has the best antimicrobial action against all tested microorganisms. The selected quantum chemical descriptors calculated for the compounds 1 and 2 have a close relationship with the antimicrobial activity.
PB  - Elsevier
T2  - Journal of Molecular Structure
T1  - Synthesis, characterization, antimicrobial activity and DFT study of some novel Schiff bases
VL  - 1241
SP  - 130670
DO  - 10.1016/j.molstruc.2021.130670
ER  - 

@article{
author = "Salihović, Mirsada and Pazalja, Mirha and Špirtović Halilović, Selma and Veljović, Elma and Mahmutović-Dizdarević, Irma and Roca, Sunčica and Novaković, Irena and Trifunović, Snežana",
year = "2021",
abstract = "Two new Schiff bases derived from L-cysteine and substituted benzaldehyde were synthesized: the compound 1 [2-((2-chlorobenzylidene) amino)-3-mercaptopropanoic acid] and the compound 2 [3-mercapto-2-((2-methoxybenzylidene) amino) propanoic acid]. Their structures were confirmed by experimental FT-IR, NMR (1H, 13C), and theoretical methodology DFT (density functional theory). DFT calculations were based on global chemical reactivity indices calculated using the B3LYP/6–31G*, B3LYP/6–31G**, and B3LYP/6–31+G* theory levels. Experimentally and theoretically obtained values for FT-IR and NMR (1H, 13C) of test compounds showed good agreement. The reactivity descriptors of B3LYP (E, EHOMO, ELUMO, dipole moment, ∆ɛ, μ, η, ω) were calculated to predict the stability of newly synthesized compounds. The microbiological activity of the compounds was tested on several Gram-positive bacteria: Staphylococcus aureus, Bacillus subtilis, Clostridium sporogenes, Microccocus luteus and Microccocus flavus. The following Gram-negative bacteria were used to test the compounds: Escherichia coli, Pseudomonas aeruginosa Proteus hauseri, Klebsiella pneumoniae, Salmonella enterica subsp. enterica serovar Enteritidis. Also, the activity on the following yeasts was examined: Candida albicans, Saccharomyces cerevisiae and fungal strain Aspergillus brasilliensis. The Schiff base with chlorine in the structure (the compound 1) has the best antimicrobial action against all tested microorganisms. The selected quantum chemical descriptors calculated for the compounds 1 and 2 have a close relationship with the antimicrobial activity.",
publisher = "Elsevier",
journal = "Journal of Molecular Structure",
title = "Synthesis, characterization, antimicrobial activity and DFT study of some novel Schiff bases",
volume = "1241",
pages = "130670",
doi = "10.1016/j.molstruc.2021.130670"
}

Salihović, M., Pazalja, M., Špirtović Halilović, S., Veljović, E., Mahmutović-Dizdarević, I., Roca, S., Novaković, I.,& Trifunović, S.. (2021). Synthesis, characterization, antimicrobial activity and DFT study of some novel Schiff bases. in Journal of Molecular Structure
Elsevier., 1241, 130670.
https://doi.org/10.1016/j.molstruc.2021.130670

Salihović M, Pazalja M, Špirtović Halilović S, Veljović E, Mahmutović-Dizdarević I, Roca S, Novaković I, Trifunović S. Synthesis, characterization, antimicrobial activity and DFT study of some novel Schiff bases. in Journal of Molecular Structure. 2021;1241:130670.
doi:10.1016/j.molstruc.2021.130670 .

Salihović, Mirsada, Pazalja, Mirha, Špirtović Halilović, Selma, Veljović, Elma, Mahmutović-Dizdarević, Irma, Roca, Sunčica, Novaković, Irena, Trifunović, Snežana, "Synthesis, characterization, antimicrobial activity and DFT study of some novel Schiff bases" in Journal of Molecular Structure, 1241 (2021):130670,
https://doi.org/10.1016/j.molstruc.2021.130670 . .