Volatile constituents of Festuca nigrescens, Phleum alpinum and Poa alpina from N. W. Italian Alpine pastures

The composition of the volatile fractions of three important grasses from sub-alpine N.W. Italian pastures, namely Festuca nigrescens Lam. non Gaudin (chewing fescue), Phleum alpinum L. (alpine timothy) and Poa alpina L. (alpine bluegrass) was investigated. The fresh aerial parts were collected at the flowering stage during the summer season. The volatile oils obtained from green tissues by steam distillation in a Clevenger-type apparatus, were analyzed by GC/FID and GC/MS. The oil yield was 0.04 +/- 0.01% weight/fresh weight bases for each of the investigated species. Several classes of compounds were found in the volatile fractions, including aldehydes, alcohols, acids, hydrocarbons, esters, ketones, terpenes, and phenolics. Qualitative and quantitative differences were observed.     

The investigation of sensing mechanism of ethanol vapour in polymer-nanostructured carbon composite

Polymer-nanostructured carbon composites (PNCC) using three different polymers as composite matrix materials (polyvinylacetate (PVAc), polyethylene glycol (PEG) and ethylene-vinylacetate copolymer (EVA)) have been developed. High structure carbon black Printex XE2 (Degussa AG) was used as a composites filler. Ethanol vapour sensor-effect of composites was determined as a change of electrical resistance as the composite was held in ethanol vapour for 30 seconds. Reversibility of electrical resistance of PNCC, response stability and repeatability have been measured and compared. The electrical resistance response of EVA-nanostructured carbon composite (EVA-NCC) to ethanol vapour as a function of vinylacetate content in the copolymer has been evaluated. Promising ethanol vapour sensor-effect has been observed for PEG-NCC followed by PVAc-NCC and EVA-NCC.     

Reaction pathway to CZTSe formation in CdI2

The thermal decomposition of cotton and hemp fibers was studied after mild alkaline treatments with tetramethyl-, tetraethyl- and tetrabutylammonium hydroxides with the goal of modeling the chemical activation during carbonization of cellulosic fibers. The thermal decomposition was studied by thermogravimetry/mass spectrometry and pyrolysis–gas chromatography/mass spectrometry (Py–GC/MS). The treated samples decomposed in two temperature ranges during heating in the thermobalance. At lower temperature, tetraalkylammonium hydroxides (TAAH) ionically bonded to the cellulose molecules were decomposed; moreover, the alkaline agents initiated the partial decomposition of cellulose. Those fiber segments, which were not accessible for TAAH, decomposed at similar temperatures as the original cotton and hemp samples. It is known that quaternary ammonium hydroxides swell the cellulosic fibers; however, the results of this study proved that there was a chemical interaction between the alkaline swelling agents and cotton or hemp fibers at rather low temperatures (200–300 °C). The evolved products indicated that the alkaline chemicals reacted with the cellulose molecules and alkylated compounds were formed. This observation was confirmed by thermochemolysis experiments carried out by Py–GC/MS using tetramethylammonium hydroxide reagent. The thermochemolysis experiments under mild conditions resulted in the methylation of the glucoside units and levoglucosan, and no peeling reactions of the sugar units were observed as during strong alkaline conditions described in the literature.

     

How trifluoroacetone interacts with water

The rotational spectra of five isotopologues of the molecular adduct 1,1,1-trifluoroacetone-water have been assigned using pulsed-jet Fourier-transform microwave spectroscopy. All rotational transitions appear as doublets, due to the internal rotation of the methyl group. Analysis of the tunneling splittings allows one to determine accurately the height of the 3-fold barrier to internal rotation of the methyl group and its orientation, leading to V(3) = 3.29 kJ·mol(-1) and ∠(a,i) = 67.5°, respectively. The water molecule is linked to the keton molecule on the side of the methyl group through a O-H···O hydrogen bond and a C-H···O intermolecular contact, lying in the effective plane of symmetry of the complex.     

Effects of Fluorine Substitution on the Shape of Neurotransmitters: the Rotational Spectrum of 2‐(2‐Fluorophenyl)Ethanamine

The effects of fluorination on the conformational landscape of adrenergic neurotransmitters is exemplified trough the conformation analysis of 2‐(2‐F‐phenyl)ethanamine (2FPEA) carried out by microwave spectroscopy and quantum chemical calculations. Five different conformers of the nine possible stable ones for 2FPEA are observed by molecular‐beam Fourier‐transform microwave spectroscopy. Their unambiguous identification is possible by comparing the experimental rotational constants and the quadrupole coupling constants with those obtained by quantum chemical calculations carried out at the MP2/6‐311++G(d,p) level of theory. The relative abundances of the conformers in the jet are estimated from the relative intensities in the observed spectra. A qualitative agreement between experimental and theoretical energies was found, and the remaining deviations are explained by population transfer taking place during the adiabatic expansion. The energy landscape, which also takes the interconversion barriers between the conformers into consideration, is thus characterized completely by the strong interplay of quantum chemical methods and precise experimental data. Significant changes in energy and structure of the 2FPEA conformers are found compared to those obtained for the prototype molecule 2‐phenylethanamine (PEA).     

Biomass sorbents for metalloid removal

The present work investigates the sorption of metalloids—As(V), Sb(V), and Te(VI)—on Fe-modified biomaterials (Fe-modified peat, shingles, moss, straw, canes, and sand) using batch tests. The said sorption was studied as a function of initial metalloid concentration, pH, and temperature. The highest sorption capacity was observed for Fe-modified peat. Fe-modified moss and Fe-modified shingles can also be used in severely polluted waters. The best sorption conditions are in the pH interval 3–6.5 for As(V) and Sb(V), while pH 3–9 is the most appropriate interval for Te(VI) removal. The impact of temperature on the metalloid sorption capacity of Fe-modified peat was tested at four temperatures: 275, 283, 298, and 313 K, and the sorption capacity increased with increase in temperature for all of the studied metalloids. The calculated thermodynamic parameters suggest that the sorption process is of a spontaneous nature and endothermic.