Quantum chemical approach in the description of the amphiphile clusterization at the air/liquid and liquid/liquid interfaces with phase nature accounting. I. Aliphatic normal alcohols at the air/water interface.

A new model based on the quantum chemical approach is proposed to describe structural and thermodynamic parameters of clusterization for substituted alkanes at the air/liquid and liquid/liquid interfaces. The new model by the authors, unlike the previous one, proposes an explicit account of the liquid phase (phases) influence on the parameters of monomers, clusters and monolayers of substituted alkanes at the regarded interface. The calculations were carried out in the frameworks of the quantum chemical semiempirical PM3 method (Mopac 2012), using the COSMO procedure.

Inhibition of transglutaminase 2 mitigates transcriptional dysregulation in models of Huntington disease.

Caused by a polyglutamine expansion in the huntingtin protein, Huntington's disease leads to striatal degeneration via the transcriptional dysregulation of a number of genes, including those involved in mitochondrial biogenesis. Here we show that transglutaminase 2, which is upregulated in HD, exacerbates transcriptional dysregulation by acting as a selective corepressor of nuclear genes; transglutaminase 2 interacts directly with histone H3 in the nucleus. In a cellular model of HD, transglutaminase inhibition de-repressed two established regulators of mitochondrial function, PGC-1alpha and cytochrome c and reversed susceptibility of human HD cells to the mitochondrial toxin, 3-nitroproprionic acid; however, protection mediated by transglutaminase inhibition was not associated with improved mitochondrial bioenergetics.

Self-assembly in aqueous solutions of imidazolium ionic liquids and their mixtures with an anionic surfactant.

Experimental data on micellization in aqueous solutions of 1-alkyl-3-methylimidazolium salts [C(n)mim]X and their mixtures with sodium dodecyl sulfate (NaDS) are reviewed. New results (the critical micelle concentration and enthalpy of micellization) are presented for mixtures of [C(4)mim]PF(6), [C(6)mim]BF(4), [C(6)mim]Br and [C(10)mim]Br with NaDS. Our data cover a wide range (from 0 to 0.