  Polyphenol Content and Modulatory Activities of Some Tropical Dietary Plant Extracts on the Oxidant Activities of Neutrophils and MyeloperoxidaseTsumbu, César Ndele  ; ; Tits, Monique et alin International Journal of Molecular Sciences (2012), 13(1), 628-650 Detailed reference viewed: 46 (14 ULg)Optimization to low temperature activity in psychrophilic enzymesStruvay, Caroline ; Feller, Georges in International Journal of Molecular Sciences (2012), 13(9), 11643-11665 Detailed reference viewed: 26 (2 ULg) Scientific Evidence and Rationale for the Development of Curcumin and Resveratrol as Nutraceutricals for Joint Health; Henrotin, Yves ; et alin International Journal of Molecular Sciences (2012), 13 Detailed reference viewed: 3 (1 ULg)Anti-UVC Irradiation and Metal Chelation Properties of 6-Benzoyl-5,7-dihydroxy-4-phenyl-chromen-2-one: An Implication for Anti-Cataract AgentHuang, Yi-Shiang in International Journal of Molecular Sciences (2011), 12 Coumarin derivative 1, 5,7-dihydroxy-6-(3-methyl-1-butyryl)-4-phenyl-chromen- 2-one, has been reported to possess radical scavenging activity and DNA protection. We have synthesized a series of coumarins ... [more ▼] Coumarin derivative 1, 5,7-dihydroxy-6-(3-methyl-1-butyryl)-4-phenyl-chromen- 2-one, has been reported to possess radical scavenging activity and DNA protection. We have synthesized a series of coumarins with structural modifications at positions C4, C5, C6 and C7 and evaluated them for their anti-UVC properties. Coumarin 7, 6-benzoyl-5,6-dihydroxy-4-phenyl-chromen-2-one, was found to have the most potent activity in protecting porcine γ-crystallin against UVC insults. Results of fluorescence assays indicated that compound 7 was capable of decreasing the loss of intensity while lens crystallins and DNA PUC19 were irradiated with UVC. Presence of compound 7 decreased hydroxyl radical levels determined by probe 1b and the free iron concentrations determined by Ferrozine reagent. The chelation assay showed that compound 7 was chelated to metal via 6-CO and 5-OH on the benzopyrone ring. The observed protective effects of compound 7 towards crystallins from insults of UVC and free radicals may be due to its iron-chelating activity and its peak absorption at 254 nm. [less ▲] Detailed reference viewed: 11 (2 ULg)Vertical ionization energies of alpha-L-amino acids as a function of their conformation: an ab initio studyDehareng, Dominique ; Dive, Georges in International Journal of Molecular Sciences (2004), 5(11-12, NOV-DEC), 301-332 Vertical ionization energies (IE) as a function of the conformation are determined at the quantum chemistry level for eighteen alpha-L-amino acids. Geometry optimization of the neutrals are performed ... [more ▼] Vertical ionization energies (IE) as a function of the conformation are determined at the quantum chemistry level for eighteen alpha-L-amino acids. Geometry optimization of the neutrals are performed within the Density Functional Theory (DFT) framework using the hybrid method B3LYP and the 6-31G**(5d) basis set. Few comparisons are made with wave-function-based ab initio correlated methods like MP2, QCISD or CCSD. For each amino acid, several conformations are considered that lie in the range 10-15 kJ/mol by reference to the more stable one. Their IE are calculated using the Outer-Valence-Green's-Functions (OVGF) method at the neutrals' geometry. Few comparisons are made with MP2 and QCISD IE. It turns out that the OVGF results are satisfactory but an uncertainty relative to the most stable conformer at the B3LYP level persists. Moreover, the value of the IE can largely depend on the conformation due to the fact that the ionized molecular orbitals (MO) can change a lot as a function of the nuclear structure. [less ▲] Detailed reference viewed: 44 (2 ULg)Rate coefficient determination in charge transfer reactions; ; Desouter, Michèle et alin International Journal of Molecular Sciences (2002), 3 Detailed reference viewed: 6 (0 ULg) |
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