To investigate the structural and thermodynamic basis of the binding of solvent at internal sites within proteins a number of mutations were constructed in T4 lysozyme. Some of these were designed to introduce new solvent-binding sites. Others were intended to displace solvent from preexisting sites. In one case Val-149 was replaced with alanine, serine, cysteine, threonine, isoleucine, and gly...

Physiological solvent flows surround biological structures triggering therein collective motions. Notable examples are virus/host-cell interactions and solvent-mediated allosteric regulation. The present work describes a multiscale approach joining the Lattice Boltzmann fluid dynamics (for flows) with all-atom atomistic molecular proteins) to model functional between molecules. We present, as a...

The adsorption of mixtures of alkyl thiol surfactants on the Au(111) surface as well as on icosahedral gold nanocrystals (NCs) was investigated by molecular simulation. We compared the molfraction of each surfactant type on the gold structure with the molfraction of each surfactant type in the surrounding bulk solvent. For alkyl thiol surfactants with 1 to 4 carbon atoms difference, we found th...

The solvent displacement method involves three main steps to obtain nanoparticles: dissolution of both the polymer and the drug into a solvent, mixing of the obtained solution with the anti-solvent, and elimination of the solvent through evaporation. 1 Mixing leads to rapid diffusion of the solvent into the anti-solvent and spontaneous particle formation. Particle formation is extremely rapid a...

the oxidation of n-pentanol by tetramethylammonium fluorochromate in acidic solution wasstudied using spectrophotometric technique. the reaction was arranged to be under pseudo firstorderconditions respect to the oxidant. a michaelis-menten type kinetic was observed respect tothe substrate. the reaction is catalyzed by hydrogen ions. dependences of the reaction rates ontemperature and different...

Fuel-cell catalyst layers (CLs) are porous electrodes that fabricated from CL inks: colloidal dispersions of particles and ion-conducting polymer (ionomer), dispersed in solvent(s). The complex interactions between the ink components ultimately dictate microstructure electrochemical performance. To control formation process optimize fuel-cell performance, knowledge these is vital. In this revie...

  Objective(s): It has been suggested that the efficiency of dry poder inhaler (DPI) is generally low. Therefore, the aim of the present research work was to use the solvent treatment of the carrier in DPIformulations to see the possibility of inducing desirable characteristics.   Materials and Methods: Lactose sieve fractions of 63-90 μm were submerged in ethanol or 80% v/v etha...

Polymorphism in pharmaceutical solids is a major issue that has medical, financial and legal implications. There are many thermodynamics and kinetics factors which affect the polymorph selectivity during the crystallization process such as nucleation temperature, supersaturation and type of solvent. Among these parameters, type of solvent is a major kinetic factor that has drawn the attention o...