Showing papers by "César A.N. Catalán published in 2008"
TL;DR: Though, both essential oil and oleoresins were found to be effective, essential oil was finding to be better than the olerosins.
369 citations
TL;DR: The agreement between theoretical and experimental vibrational circular dichroism curves of (4R,9R,10R)-(+)-african-1(5)-ene-2,6-dione and lippifoli-1 (6)-en-5-one, isolated from the widely used plant Lippia integrifolia, allowed the determination of the conformation and absolute configuration of 1 and confirmed both structural features for 2.
Abstract: The agreement between theoretical and experimental vibrational circular dichroism curves of (4R,9R,10R)-(+)-african-1(5)-ene-2,6-dione (1) and (4R,9S,10R)-lippifoli-1(6)-en-5-one (2), isolated from the widely used plant Lippia integrifolia, allowed the determination of the conformation and absolute configuration of 1 and confirmed both structural features for 2. Molecular modeling of 1 and 2 was carried out by means of a systematic and a Monte Carlo search protocol followed by geometry optimization employing density functional theory calculations with the B3LYP/6-31G(d), B3LYP/DGDZVP, and/or B3PW91/DGDZVP2 functionals/basis sets. Validation of the minimum energy conformations for both tricyclic substances was achieved by comparison of the experimental and theoretical vicinal 1H−1H NMR coupling constants obtained by DFT-GIAO calculations.
27 citations
01 Dec 2008
26 citations
TL;DR: In Algerian traditional medicine, the aerial parts of Ammoides atlantica are reported to have a wide range of biological activities such as antibacterial and antidiarrheic activity, and this activity was shown to be very strong against most of the tested microorganisms.
Abstract: In Algerian traditional medicine, the aerial parts of Ammoides atlantica (Coss. et Dur.) Wolf. (Apiaceae) are reported to have a wide range of biological activities such as antibacterial and antidiarrheic activity. The in vitro antibacterial activity of the oil was evaluated by Disc diffusion method against several strains of bacteria, and this activity was shown to be very strong against most of the tested microorganisms, especially Escherichia coli ATCC 25922, Staphylococcus aureus ATCC 25923, and Enterococcus faecalis ATCC 29212. The MIC was also carry out and Bacillus subtilis ATCC 6633 (vegetative form) resulted to be the most sensitive microorganism with a MIC value inferior of 6.25 mg/L. The essential oil was analyzed by GC and GC/MS. The main components were thymol (53.2%), γ-terpinene (19.4%) and p-cymene (10.6%).
8 citations
TL;DR: In this article, 17 mono-, di- and trifunctionalized 1,8-cineole derivatives carrying OH, OAc, keto and lactone functions at C-5, C-8 and C-9 were synthesized from 1, 8-Cineole with fair to excellent yields.
Abstract: Seventeen mono-, di- and trifunctionalized 1,8-cineole derivatives carrying OH, OAc, keto and lactone functions at C-5, C-8 and C-9 were synthesized from 1,8-cineole with fair to excellent yields. The antibacterial activity of these synthetic compounds against Escherichia coli, Klebsiella pneumoniae, Pseudomonas aeruginosa and Staphylococcus aureus using the agar dilution method was examined. Lactones 1,3-dimethyl-2-oxabicyclo[2.2.2]octan-8-endo-acetyloxy-5→9-olide (15) and 1,3-dimethyl-2-oxabicyclo[2.2.2]octan-8-endo-ol-5→9-olide (16) showed the highest antibacterial activity against all the three Gram negative bacteria assayed. A structure-activity relationship (SAR) study on the oxygenated 1,8-cineole derivatives has allowed a model to be proposed for the recognition of the minimal structural requirements for the antimicrobial effect.
7 citations
01 Jul 2008
6 citations