Quantum-chemical calculations were used to investigate molecular and electronic properties of porphyrin and subporphyrin. Their basicities were estimated in ground and excited states. It was found that multiple proton nitrogen lone-pair coordination plays an important role in acid/base properties of the studied molecules. Lone pair-lone pair interactions in didehydroporphyrin and energetic stab...

We performed DFT calculations, using the DMOL implementation of the COSMO solvent model, to investigate the effect of different dielectric responses of the environment on the structure and electronic configuration of two unsubstituted Schiff base models of retinal, including three and four conjugated double bonds, as well as a monomethylated model. The results show that the application of diffe...

conclusions the results of this study show that the beneficial effect of lactobacillus casei is related to its metabolites. a formulated gel shows a significant antidermatophytosis activity compared to clotrimazole. results the results showed the same effect of the probiotic extract against 4 pathogens; however, the greatest average zone of inhibition was measured 34 mm against t. rubrum. the m...

introduction pharmacologic treatment of radicular pain with oral medications is limited by adverse effects and concern for dependence. while topical formulations have been explored in pain research, there is no published literature evaluating the efficacy in radicular pain. we present the first three cases of radicular pain successfully treated with a topical formulation of diclofenac, ibuprofe...

keloids are aesthetically disfiguring and severely disabling. the optimal treatment remains undefined. this clinical study, evaluate the efficacy and side effects of combined topical silicone and 5-fluorouracil on the prevention of keloids. in this double blind randomized clinical trial, fifty patients with keloids were randomly allocated in two groups. the control group were treated by periles...

We solved the crystal structure of a novel type of c-ring isolated from Bacillus pseudofirmus OF4 at 2.5 A, revealing a cylinder with a tridecameric stoichiometry, a central pore, and an overall shape that is distinct from those reported thus far. Within the groove of two neighboring c-subunits, the conserved glutamate of the outer helix shares the proton with a bound water molecule which itsel...

Proton/sulphate co-transport in the plasma membrane of root cells is the first step for the uptake of sulphate from the environment by plants. Further intracellular, cell-to-cell and long-distance transport must fulfil the requirements for sulphate assimilation and source/sink demands within the plant. A gene family of sulphate transporters, which may be subdivided into five groups, has been id...

The gas-phase structures of protonated and alkali-metal-cationized lysine (Lys) and epsilon-N-methyllysine (Lys(Me)) are investigated using infrared multiple photon dissociation (IRMPD) spectroscopy utilizing light generated by a free electron laser, in conjunction with ab initio calculations. IRMPD spectra of Lys.Li(+) and Lys.Na(+) are similar, but the spectrum for Lys.K(+) is different, indi...

The successive protonation steps occurring in 2,2′;6′,2″-terpyridine (L1) are characterized by a strong affinity for the first entering proton (ΔG(connect)(H,L1) = −17 kJ/mol) followed by allosteric anticooperativity (ΔE(interaction)(H,H,L1) = 6 kJ/mol), a behavior mirrored by 2,6-bis(azaindolyl)pyridine (L2) despite the extension of the chelate ring size from five members (L1) to six members (...