Supramolecular complexes: Determination of stability constants on the basis of various experimental methods

Stability constants and formation enthalpies of supramolecular complexes of crown ethers and their cyclic and acyclic analogues are determined on the basis of experimental data obtained by different physicochemical methods in the terms of a general approach developed and implemented in the ChemEqui software package. The established regularities of variation of stability of complexes are discussed as dependent on the ligand structure, nature of the cation, solvent, and anion. The applicability of the suggested method of determining complexation selectivity is shown for multicomponent equilibria in solutions.

     

Analysis of a two-dimensional symmetric problem on extension of an Al-polyimide-Cu layered structure with a model crack

To increase the efficiency of designing systems intended for monitoring surface cracks in aluminum structures during their working life, we have analyzed a two-dimensional symmetric problem on uniaxial extension of an Al-polyimide-Cu layered structure with ideal adhesion between layers and a model crack in the aluminum base. The problem has been first solved for a sample with the crack modeled by a zero-thickness notch using the ANSYS engineering simulation program package. It is shown that this setting of the problem can lead to inadequate results as manifested, in particular, by significantly overstated mechanical stresses in aluminum in the region of crack emergence on the surface. In order to eliminate this difficulty, we propose to use the structure with a model defect in the form of a notch of nonzero thickness in the initial unstressed state of the structure. Recommendations for selecting the thickness of a notch used in the model structure are given.

     

GC–MS Characterization of Volatile Compounds in Habanero Pepper (Capsicum chinense Jacq.) by Optimization of Headspace Solid-Phase Microextraction Conditions

Food Analytical Methods - The habanero pepper (Capsicum chinense Jacq.) is very aromatic and is the hottest pepper in the world. In this study, a headspace solid-phase microextraction/gas...     

Formulation of sage essential oil (Salvia officinalis,L.) monoterpenes into chitosan hydrogels and permeation study with GC-MS analysis

This study deals with the formulation of natural drugs into hydrogels. For the first time, compounds from the sage essential oil were formulated into chitosan hydrogels. A sample preparation procedure for hydrophobic volatile analytes present in a hydrophilic water matrix along with an analytical method based on the gas chromatography coupled with the mass spectrometry (GC-MS) was developed and applied for the evaluation of the identity and quantity of essential oil components in the hydrogels and saline samples. The experimental results revealed that the chitosan hydrogels are suitable for the formulation of sage essential oil. The monoterpene release can be effectively controlled by both chitosan and caffeine concentration in the hydrogels. Permeation experiment, based on a hydrogel with the optimized composition [3.5% (w/w) sage essential oil, 2.0% (w/w) caffeine, 2.5% (w/w) chitosan and 0.1% (w/w) Tween-80] in donor compartment, saline solution in acceptor compartment, and semi-permeable cellophane membrane, demonstrated the useful permeation selectivity. Here, (according to lipophilicity) an enhanced permeation of the bicyclic monoterpenes with antiflogistic and antiseptic properties (eucalyptol, camphor and borneol) and, at the same time, suppressed permeation of toxic thujone (not exceeding its permitted applicable concentration) was observed. These properties highlight the pharmaceutical importance of the developed chitosan hydrogel formulating sage essential oil in the dermal applications.