Now showing items 1-10 of 5977
Molecular properties of steroids involved in their effects on the biophysical state of membranes
(Elsevier Science, 2015-08)
The activity of steroids on membranes was studied in relation to their ordering, rigidifying, condensing and/or raft promoting ability. The structures of 82 steroids were modeled by a semi-empirical procedure (AM1) and 245 ...
Developing descriptors to predict mechanical properties of nanotubes
Descriptors and quantitative structure property relationships (QSPR) were investigated for mechanical property prediction of carbon nanotubes (CNTs). 78 molecular dynamics (MD) simulations were carried out, and 20 descriptors ...
Study of optical properties of GaAsN layers preparedby molecular beam epitaxy
A novel set of ss-N-biaryl ether sulfonamide hydroxamates as potential MMPs inhibitors: Molecular dynamics simulations and molecular properties evaluation
Matrix metalloproteinases (MMPs) constitute a family of zinc-dependent proteases involved in the extracellular matrix degradation. MMP-2 and MMP9 are overexpressed in several human cancer types, including melanoma, thus ...
Unique Coordination of Copper in Hexacyanometallates
(Z. Phys. Chem., 2013-01-16)
Hybrid nanomembrane-based capacitors for the determination of the dielectric constant of semiconducting molecular ensembles
Considerable advances in the field of molecular electronics have been achieved over the recent years. One persistent challenge, however, is the exploitation of the electronic properties of molecules fully integrated into ...
Chitosan molecular weight effect on starch-composite film properties
The aim of this work was to prepare and characterize composite ﬁlms based on chitosan (CH) and corn starch (CS), analyzing the inﬂuence of the chitosan molecular weight (MW) on film structure and functional properties. ...