Pyragrel, a new anticoagulant drug, is derived from the molecular combination of ligustrazine and ferulic acid. Pyragrel showed significant inhibitory activity against platelet aggregation induced by adenosine diphosphate (ADP), and had been approved for a phase I clinical trial by CFDA. To characterize the metabolites of Pyragrel in human urine after intravenous administration, a reliable onli...

The objective of this research is to develop an accurate numerical method to be used in showing the deformation of a liquid fuel droplet in a convective field. To simultaneously solve the internal liquid droplet flow field as well as the external gas phase flow field, a nonstaggered rectangular grid system without any coordinate transformation is used. Transition from the gas field to the liqui...

This article reviews recent developments and applications in the area of computational electrochemistry. Our focus is on predicting the reduction potentials of electron transfer and other electrochemical reactions and half-reactions in both aqueous and nonaqueous solutions. Topics covered include various computational protocols that combine quantum mechanical electronic structure methods (such ...

We report theoretical and numerical evaluations of the phase diagram for patchy colloidal particles of new generation. We show that the reduction of the number of bonded nearest neighbors offers the possibility of generating liquid states (i.e., states with temperature T lower than the liquid-gas critical temperature) with a vanishing occupied packing fraction (phi), a case which can not be rea...

an air–assisted liquid–liquid microextraction method for the extraction and preconcentration of trace amounts of some synthetic phenolic antioxidants in biological fluids followed by their determination by gas chromatography–flame ionization detection has been reported. in this method the target analytes are extracted into a few microliters of carbon tetrachloride (extraction solvent) from an a...

In this study, the effects of some factors on bacterial growth and ferrous oxidation rates were investigated by Acidithiobacillus ferrooxidan in 250 ml shake flasks. One factor at a time (OFAT) design approach was used for preliminary evaluation of various factors affecting the process, such as pH, initial ferrous and elemental sulfur concentrations, shaker agitation rate, and liquid to flask v...

the rapidly increasing interest in functional materials with reversibly switchable physico- chemical properties has led to significant work on the development of stimuli responsive membranes. thermotropic liquid crystals with their exceptional properties have potentials for drug-delivery applications. thermoresponsive liquid-crystal-embedded membranes were investigated for the purpose of develo...

Objective: The usage of pesticides has increased during the recent years. One the other hand, presence of harmful pesticides residue in rice and other food has caused a great concern among the consumers. Therefore, it is important to develop some pragmatic procedures to increase the food safety along with the reduction in consumption of pesticide residues. Methods: A gas chromatograph with elec...

BACKGROUND Use of essential oils for controlling Candida albicans growth has gained significance due to the resistance acquired by pathogens towards a number of widely-used drugs. The aim of this study was to test the antifungal activity of selected essential oils against Candida albicans in liquid and vapour phase and to determine the chemical composition and mechanism of action of most potent...