Based on the local Shannon entropy concept in information theory, a new measure of aromaticity is introduced. This index, which describes the probability of electronic charge distribution between atoms in a given ring, is called Shannon aromaticity (SA). Using B3LYP method and different basis sets (6-31G**, 6-31+G** and 6-311++G**), the SA values of some five-membered heterocycles, C(4)H(4)X, a...

A new formulation of a pose refinement technique using “active” models is described. An error term derived from the detection of image derivatives close to an initial object hypothesis is linearised and solved by least squares. The method is particularly well suited to problems involving external geometrical constraints (such as the ground-plane constraint). We show that the method is able to r...

Four fundamental physical parameters of series of benzene derivatives were studied to ascertain correlations with biological activity. These included octanol/water coefficient, vapor pressure, infrared absorption (out-of-plane C-H vibration), and the pi values. Each physicochemical constant exhibited a partial correlation with biological activity suggesting that each played a role. It was presu...

Three new compounds, including a sesquiterpenoid glucoside gallate, 2 Z,4 E,1' R,2' S,4' R,6' S-dihydrophaseic acid 4'-O-(6''-O-galloyl)-β-D-glucopyranoside (1), two new phenolic glucoside gallates, 4-hydroxy-3,5-dimethoxybenzoic acid 4-O-(6'-O-galloyl)-β-D-glucopyranoside (2) and 3,4-dimethoxyphenol 1-O-(6'-O-galloyl)-β-D-glucopyranoside (3), together with eight known compounds (4-11), have be...

The effect of the presence surfactant micelles and mode incorporation (pre-homogenization or post-homogenization) on antioxidant efficiency a homologous series n-alkyl gallates phenolipids (G0, G3, G8, G12 G16) was investigated in oil-in-water nanoemulsions. In both absence micelles, G16 were best antioxidants. modulated by micelles. G8 had higher when incorporated pre-homogenization, suggestin...

Acid-catalysed, '3+3' condensation of m-bispyrryl benzene derivatives with acetone afforded new non-aromatic macrocycles that can be converted to meso-alkylidenyl dibenzohexaphyrins carrying four exocyclic double bonds at meso-positions by DDQ oxidation.

Effective treatments for osteoporosis remain fairly elusive; however, studies have reported that antioxidants may aid in the maintenance of reactive oxygen species at a favorable level, in order to prevent osteoporosis. Gallic acid (GA) and its derivatives are potent antioxidative and anti‑inflammatory agents that affect several biochemical and pharmacological pathways; however, GA is slightly ...