Although many enzymes can promote chemical reactions by tuning substrate properties purely through the electrostatic environment of a docking cavity, this strategy has proven challenging to mimic in synthetic host-guest systems. Here, we report a highly charged, water-soluble, metal-ligand assembly with a hydrophobic interior cavity that thermodynamically stabilizes protonated substrates and co...

We present a statistical mechanics formalism for theoretical description of the process of protein folding ↔ unfolding transition in water environment. The formalism is based on the construction of the partition function of a protein obeying two-stage-like folding kinetics. Using the statistical mechanics model of solvation of hydrophobic hydrocarbons we obtain the partition function of infinit...

The binding of a fluorescent agonist to the acetycholine receptor from Torpedo electric organ has been studied by time-resolved spectroscopy in three different environments: in native membrane fragments, in the detergent CHAPS, and after complexation by amphipathic polymers ('amphipols'). Binding kinetics was similar in the membrane and in amphipols, demonstrating that the receptor can display ...

in the present study, the kinetics of biodiesel production through transesterification of brassica carinata oil with methanol in the presence of potassium hydroxide is investigated by kinetic monte carlo simulation. the obtained results from simulation agree qualitatively with the existing experimental data. the kinetics data for each step of suggested mechanism are confirmed by simulation. by ...

We present a novel statistical mechanics formalism for the theoretical description of the process of protein folding↔unfolding transition in water environment. The formalism is based on the construction of the partition function of a protein obeying two-stage-like folding kinetics. Using the statistical mechanics model of solvation of hydrophobic hydrocarbons we obtain the partition function of...

Quantitative microscopy has proven a versatile and powerful phenotypic screening technique. Recently, image-based profiling has shown promise as a means for broadly characterizing molecules' effects on cells in several drug-discovery applications, including target-agnostic screening and predicting a compound's mechanism of action (MOA). Several profiling methods have been proposed, but little i...

Introduction: Colored compounds which often are toxic and carcinogen is one of the environmental pollutants. These pollutants should be removed prior than discharge to the environment. The aim of this study was the evaluation of maize tassel powder efficiency for the removal of Reactive Red 198 dye from synthetic textile wastewater. Materials & Methods: This experimental study was performed in...

acetic acid has been applied as an efficient catalyst and a green solvent for the two–component condensation reaction consisting of benzaldehyde, 2-amino-benzamide. the advantages of this protocol was excellent yield, short reaction time, mild reaction conditions, higher availability, low costs, more environmentally friendly, lack of need for column chromatography and simple work-up procedure. ...

a good understanding of adsorption equilibrium and thermodynamics is required to design and operate an adsorption process. this study was conducted to assess the adsorption percentage of pb2+ ions as a function of contact time, solution ph and temperatures, and adsorbent dosage through a series of batch experiments. the methods including zeta potentials, specific surface area measurements and t...