Electrolytes interact with water in many ways: changing dipole orientation, inducing charge transfer, and distorting the hydrogen-bond network in the bulk and at interfaces. Numerous experiments and computations have detected short-range perturbations that extend up to three hydration shells around individual ions. We report a multiscale investigation of the bulk and surface of aqueous electrol...

The size distribution of domains in phase-separated lung surfactant monolayers influences monolayer viscoelasticity and compressibility which, in turn, influence monolayer collapse and set the compression at which the minimum surface tension is reached. The surfactant-specific protein SP-B decreases the mean domain size and polydispersity as shown by fluorescence microscopy. From the images, th...

the acidity constants (pka) of thirty four (34) ;-substituted carboxylic acids in aqueous solution havebeen calculated using conductor-like polarizable continuum (c-pcm) solvation model. the gasphaseenergies at the density functional theory (dft-mpw1pw91) and solvation energies athartree fock (hf) are combined to estimate the pka values which are very close to the experimentalvalues where, and ...

We calculate the stress tensor for a quasi-spherical vesicle and we thermally average it in order to obtain the actual, mechanical, surface tension tau of the vesicle. Both closed and poked vesicles are considered. We recover our results for tau by differentiating the free energy with respect to the proper projected area. We show that tau may become negative well before the transition to oblate...

The paper describes a protocol to fabricate cell-laden microgel assemblies with pre-defined micro-architecture and complexity by a bottom-up approach, which can be used for tissue engineering applications. The assembly process was driven by the hydrophobic effect in the water/oil interface. By agitating hydrophilic microgels in hydrophobic medium, the shape-controlled microgel units assemble in...

We develop the continuous self-avoiding walk (CSAW) methodology for investigating temperature dependent thermodynamic properties of finite polymer chains without imposing a lattice. This leads to a new concept: the free energy theta temperature, T(theta)(F), at which the free energy is proportional to chain length. Above T(theta)(F), the polymer chain-solvent mixture leads to a single phase, wh...