Tyramine β-monooxygenase (TβM) belongs to a family of physiologically important dinuclear copper monooxygenases that function with a solvent-exposed active site. To accomplish each enzymatic turnover, an electron transfer (ET) must occur between two solvent-separated copper centers. In wild-type TβM, this event is too fast to be rate limiting. However, we have recently shown [Osborne, R. L.; et...

Enantiomeric excess (ee) in asymmetric catalysis may be strongly dependent on the solvent. The reaction product may range from an almost racemic mixture to an ee of over 90% for different solvents. We study this phenomenon for the C-C coupling reaction between nitromethane and benzaldehyde (the Henry reaction) with cinchona thiourea as the catalyst, where solvents that are strong Lewis bases in...

Solvent plays an important role in the relative motion of nanoscopic bodies, and the study of such phenomena can help elucidate the mechanism of hydrophobic assembly, as well as the influence of solvent-mediated effects on in vivo motion in crowded cellular environments. Here we study important aspects of this problem within the framework of Brownian dynamics. We compute the free energy surface...

We carry out frequency-dependent solvent impedance measurements and alternating current (ac) colloid microelectrophoresis experiments in partially polar solvents in the low-frequency regime (0.25 Hz ≤ f ≤ 10 Hz). Solvent electrode polarization effects are quantified first in partially polar solvent mixtures containing bromocyclohexane (CHB). We find that the polarization capacitance from electr...

The second-order rate constant (k2) for the esterification of methoxyacetic acid with benzyl alcohol is reported in a range of ionic and molecular solvents. The solvent effects on esterification rate are examined by using a linear solvation energy relationship based on the Kamlet-Taft solvent scales (alpha, beta, and pi*). It is shown that the hydrogen bond basicity of the solvent is the domina...

co2 emissions from combustion flue gases have turned into a major factor in global warming. post-combustion carbon capture (pcc) from industrial utility flue gases by reactive absorption can substantially reduce the emissions of the greenhouse gas co2. to test a new solvent (ait600) for this purpose, a small pilot plant was used. this paper presents the results of studies on chemical methods of...

cyproterone acetate (ca) has been loaded to liposome by solvent evaporation and thin film formation technique. the effects of some formulation variables such as temperature of organic solvent evaporation, rotary evaporator speed, volume of organic solvent, volume of balloon and temperature of hydrating buffer has been evaluated. the data showed that bigger balloon with higher surface area has b...

A molecular theory of the dynamic solvent effects on an outer-sphere adiabatic electron transfer reaction is presented. The theory properly includes the role of the microscopic correlations present in a dense dipolar solvent in the dynamics of an electron-transfer reaction. The theory predicts that the translational modes of the solvent, hitherto neglected in most discussions on electron-transf...

An alternative derivation of Brownian motion is presented. Instead of supplementing the linearized Navier-Stokes equations with a fluctuating force, we directly assume a Gaussian action functional for solvent velocity fluctuations. Solvating a particle amounts to expelling the solvent and prescribing a boundary condition to the solvent on the interface that is shared with the solute. We study t...