ABSTARCT:Emulsion Solovent Diffusion (EDS) technique combines crystallization and agglomeration directly to generate spherical agglomerates with improved micromeretic properties, thus obviating need for further processing by granulation and agglomeration. The present study was focused on spherical crystallization of an antifungal drug Gresiofulvine (GRV) using above mentioned ESD technique in w...

Results: A total of 247 plastic surgeons were included. 78.6% cited previous work at least once (mean 34.3 +/87.5 self-citations). These self-citations accounted for 4.8% of all citations. Including self-citations in bibliometric analyses increased h-indices from 9.5 +/6.9 to 10.2 +/7.6. A minority of researchers (20.1%) increased their h-index via self-citation by at least one integer value (r...

Interactions determining the dissolution of a monomer of β-cellulose, i.e., cellobiose in a room temperature ionic liquid, [Emim][OAc], have been studied using ab initio molecular dynamics simulations. Although anions are the predominant species in the first coordination shell of cellobiose, cations too are present to a minor extent around it. The presence of low concentration of water in the s...

Kinetic studies on solvolysis of cinnamoyl chloride in aqueous acetone and acetonitrile with lesser water content shows an order 2.6 with respect to water and it is comparable to that of benzoyl chloride. The relatively greater enthalpy and lesser negative entropy of activation compared to benzoyl chloride favours an SN2 mechanism for cinnamoyl chloride rather than addition elimination mechanis...

We calculate the standard state entropy, heat capacity, enthalpy, and Gibbs free energy for 13 radicals important for the combustion chemistry of biofuels. These thermochemical quantities are calculated from recently proposed methods for calculating partition functions of complex molecules by taking into account their multiple conformational structures and torsional anharmonicity. The radicals ...

A combined kinetic and computational study on our tryptophan-based bifunctional thiourea catalyzed asymmetric Mannich reactions reveals an apparent negative activation enthalpy. The formation of the pre-transition state complex has been unambiguously confirmed and these observations provide an experimental support for the formation of multiple hydrogen bonding network between the substrates and...

A statistical-mechanical framework for estimation of solvation entropies and enthalpies is proposed, which is based on the analysis of water as a mixture of correlated water oxygens and water hydrogens. Entropic contributions of increasing order are cast in terms of a Mutual Information Expansion that is evaluated to pairwise interactions. In turn, the enthalpy is computed directly from a dista...

BACKGROUND β-Crystallins are structural proteins maintaining eye lens transparency and opacification. Previous work demonstrated that dimerization of both βA3 and βB2 crystallins (βA3 and βB2) involves endothermic enthalpy of association (∼8 kcal/mol) mediated by hydrophobic interactions. METHODOLOGY/PRINCIPAL FINDINGS Thermodynamic profiles of the associations of dimeric βA3 and βB1 and tetr...