Abstract For many years, cyclodextrins (CDs) have been the object of attention for their capability improving stability, solubility and bioavailability numerous molecules interest, including drugs nutraceuticals. They low toxicity this reason employed different routes administration, oral, ocular, nasal parenteral. Among them, hydroxypropyl-?-cyclodextrin (HP-?-CD) is least toxic. Several physi...

The topology analysis of electron localization function (ELF), localized orbital locator (LOL), the study nonlinear optical properties, thermal and biological activities cephalexin have been performed using DFT/B3LYP employing 6-311++G(d,p) basis sets. Mulliken atomic charge on atoms has calculated. quantities describing (NLO) properties like molecular polarizability (α), first hyperpolarizabil...

Loop length and its composition are important for the structural and functional versatility of quadruplexes. To date studies on the loops have mainly concerned model sequences compared with naturally occurring quadruplex sequences which have diverse loop lengths and compositions. Herein, we have characterized 36 quadruplex-forming sequences from the promoter regions of various proto-oncogenes u...

Molecular dynamics simulations with a semiempirical interatomic potential predict the existence of a thermodynamically stable colloidal structure with nanometer-size Ta particles suspended in liquid Cu. The thermodynamic stability of this structure against coarsening, coalescence or transformation to a homogeneous solution is explained by a negative and strongly curvature-dependent tension of t...

Finding a representative fluid in a hydrocarbon reservoir is crucial for integrated reservoir management. In this study, a systematic approach for screening and selecting consistent fluid samples in a reservoir was developed. The model integrated quality control (QC) of well conditioning before sampling, QC of PVT data, thermodynamic modeling and compositional gradient within a reservoir. Well ...