The structures of boron-doped fullerene B-C59 (1) as a drug delivery system (DDS), two phosphoramides (2 and 3) which were analogous to the cyclophosphamide anticancer prodrug as well as their covalently bonded structures to B-C59 (4 and 5) were optimized by DFT computations at B3LYP level of theory using 6-31G(d) basis set. Comparing compounds 4 and 5 revealed that the chloro derivative (-1429...

bioactive food components (such as phenolic compounds, carotenoids, anthocyanins, tochopherols, ascorbic acid, flavonoids, minerals, enzymes and pectin) are active ingredients in food or dietary supplements, which proven to have an important role in health, and are safe for human consumption. these compounds exert their antioxidant effects by different mechanisms such as single electron transfe...

Introduction: Hypervelocity impacts on the surface of growing planets may generate impact-induced vapor clouds and many chemical species are produced within such vapor clouds. These species may control the surface environments of the planets, such as temperature and redox state of the atmosphere. It is, thus, important to understand the composition of gases produced within an impact-induced vap...

Para-Aminobenzoic acid is supported on silica gel via reaction of activated silica gel and p-aminobenzoic acid which is then converted to its manganese and cobalt salts. A mixture of the manganese and cobalt salts of the acid is used to catalyze allylic and benzylic alcohols to their corresponding carbonyl compounds in reasonable yields using oxygen or air. Reactions are clean and the catal...

DFT calculations were done for the (hydroperoxo)metal complexes with eta1-coordination mode, where metal ions are Fe(III), Al(III), Cu(II) and Zn(II). Results shows that 1) the electron density at the two oxygen atoms of the hydroperoxide ion is highly dependent on the angle O-O-H in M-OOH species and the difference in electron density between the two oxygen atoms reaches a maximum at the angle...

Phenolic compounds derived from biomass are important feedstocks for the sustainable production of hydrocarbon biofuels. Hydrodeoxygenation is an effective process to remove oxygen-containing functionalities in phenolic compounds. This paper reported a simple method for producing hydrocarbons by liquefying biomass and upgrading liquefied products. Three phenolic compounds fractions (1#, 2#, and...

In uremia, diminished reactive oxygen intermediate production is an important consequence of impaired neutrophil function. The effects of guanidino compounds, which are known uremic toxins, on neutrophil reactive oxygen intermediate production in vitro were studied. Neutrophils from healthy volunteers were exposed for 3 h to individual guanidino compounds or mixed guanidino compounds (GCmix), a...

The transition-metal perovskites SrFel.,Cox03 (0 i x 51) are of a great interest because the high oxidation states of the transition-metal (Fe(IV), Co(N)) can be stabilized. Moreover these compounds exhibit interesting magnetic properties. These oxygen stoichiometric phases have been prepared only under high oxygen pressures. A novel preparation method of these phases has been investigated usin...