In the structures of the two title coumarin derivatives, C14H12O6, (1), and C20H16O6, (2), one with acetate and the other with pent-4-ynoate substituents, both the coumarin rings are almost planar. In (1), both acetate substituents are significantly rotated out of the coumarin plane to minimize steric repulsions. One acetate substituent is disordered over two equivalent conformations, with occu...

Analogs of the cyclic nucleotides cAMP and cGMP have been extensively used to mimic or modulate cellular events mediated by protein kinase A (PKA), Exchange protein directly activated by cAMP (Epac), or protein kinase G (PKG). We report here that some of the most commonly used cyclic nucleotide analogs inhibit transmembrane transport mediated by the liver specific organic anion transporter pept...

A series of perylene diimide (PDI) derivatives have been investigated at the CAM-B3LYP/6-31G(d) and the TD-B3LYP/6-31+G(d,p) levels to design solar cell acceptors with high performance in areas such as suitable frontier molecular orbital (FMO) energies to match oligo(thienylenevinylene) derivatives and improved charge transfer properties. The calculated results reveal that the substituents slig...

The contamination of the environment by pesticides is becoming a burning issue in many countries World. Development, design, and synthesis new eco-friendly modification existing ones order to improve their efficacy with lowest impact on are two main future possibilities crop protection provision sufficient food for growing world population. present study focused comparative analysis series eigh...

     The effects of substituents on the symmetry and the nature of halogen bonds in [N∙∙∙X∙∙∙N]+-type systems are presented for the YC5H4N∙∙∙X∙∙∙NC5H5 (Y = NO2, CN, H, CH3, OCH3, OH, NH2, X = Cl, Br, I) complexes. Some structural parameters, energy data and electronic properties were explored with...

Dietary flavonoids show beneficial effects in the prevention of chronic diseases. However, flavonoid bioavailability is poor, probably due to their interaction with serum albumins. In the current work, the binding interactions of eight related flavonoids, sharing a similar core structure, with bovine serum albumin (BSA) were investigated by fluorescence spectroscopy. The binding affinities of t...

This study describes the effects of the substituents on electrochemical behavior and antioxidant activity of the three tetradentate Schiff bases, containing ethane-1,2- diamine, propane-1,3- diamine and butan-1,4- diamine as the amine part and salicylaldehyde, and corresponding Cd(II) complexes. Cyclic voltammograms of these compounds were recorded in dimethylsulfoxide and 0.1 M sodium perchlor...

The stereoselective synthesis of some 3’-deoxy-3’-C-methyl pyrimidine nucleosides is reported. studied modifications concern the inversion configuration in 2’-position as well introduction fluoro and azido substituents. corresponding arabinonucleoside 2’-substituted ribonucleoside analogs uracil cytosine have been obtained fully characterized. Attempts to introduce substituents with at C-2’ are...

121 used as stubstituents on Ci and C2; namely H, CH 3 , C 2 H 5 , and CeHs. They are differentiated to have approximately 1, 2, 3, and 5 A in their diameters as spherical models. For simplified discussion, we consider that 2 has bulkier substituents on Ci than on C2. Thus the C2 site will be more reactive than the Ci site for dimerization. In this occasion discussion will be rather limited to ...