How symmetry helps to improve the estimation of the hyperfine splitting of torsional levels due to tunneling. The case of the HSSSH molecule.

In this study, we analyze a series of molecules belonging to the C(M) molecular symmetry group which are characterized by several conformers. The use of molecular symmetry at each stage of calculating the energy of stationary torsional states is demonstrated. In particular, the importance is shown of preliminary symmetrization of physical characteristics of the molecules obtained by quantum chemical calculations.

Application of the luminous bacterium Photobacterium phosphoreum for toxicity monitoring of selenite and its reduction to selenium(0) nanoparticles.

Luminous marine bacteria are traditionally used as a bioassay due to the convenience and high rate of registering the intensity of their physiological function - luminescence. This study aimed to develop the application of Photobacterium phosphoreum in traditional and novel fields - toxicity monitoring and biotechnology. We demonstrated (1) effects of selenite ions on bioluminescence, and (2) biotransformation of selenite to selenium(0) in the form of nanoparticles.

Manifestation of agronomically valuable traits in the progeny of a sorghum mutant carrying the genetic construct for RNA silencing of the γ-kafirin gene.

Improving the nutritional value of grain sorghum, a drought- and heat-tolerant grain crop, is an important task in the context of global warming. One of the reasons for the low nutritional value of sorghum grain is the resistance of its storage proteins (kafirins) to proteolytic digestion, which is due, among other things, to the structural organization of protein bodies, in which γ-kafirin, the most resistant to proteases, is located on the periphery, encapsulating more easily digested α-kafirins. The introduction of genetic constructs capable of inducing RNA silencing of the γ-kafirin (gKAF1) gene opens up prospects for solving this problem.

Infrared spectroscopic and thermographic evidence for the interaction of ethylene and 1,3-butadiene with NO at cryogenic temperatures.

The possibility of the reaction of ethylene at cryogenic temperatures with dinitrogen tetroxide (NO), at least at -40 °C, has been demonstrated. An infrared (IR) spectroscopic analysis of the condensed reaction products was carried out, which showed the presence of substances containing organic nitro compounds and organic nitrates. The latter particularly means the possibility of the formation of explosive substances, as in the known explosive cryogenic reaction of NO with butadiene.

Use of cells in quercetin detection.

The possibility of detection and determination of flavonoids by using microbial cells was shown for the first time using the quercetin - Sp245 model system. The activity of the flavonoids quercetin, rutin and naringenin toward Sp245 was evaluated. It was found that when the quercetin concentration ranged from 50 to 100 μM, the number of bacterial cells decreased.

A convenient set of vibrational coordinates for 2D calculation of the tunneling splittings of the ground state and some excited vibrational states for the inversion motion in HO, HO, and HO.

Splitting of the ground state and some excited symmetric bending vibrational states due to inversion tunneling of the oxygen atom in the HO, HO ions and in the HO radical are analyzed by numerically solving the vibrational Schrödinger equation of restricted (2D) dimensionality. As two vibrational coordinates, we used 1) the distance of the oxygen atom from the plane of a regular triangle formed by three hydrogen atoms and 2) a symmetry coordinate composed of three distances between chemically non-bonded hydrogen atoms. The kinetic energy operator in this case takes the simplest form.

Isolation and Characterization of 1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexene-1-acetic Acid, a Metabolite in Bacterial Transformation of Abscisic Acid.

We report the discovery of a new abscisic acid (ABA) metabolite, found in the course of a mass spectrometric study of ABA metabolism by the rhizosphere bacterium sp. P1Y. Analogue of (+)-ABA, enriched in tritium in the cyclohexene moiety, was fed in bacterial cells, and extracts containing radioactive metabolites were purified and analyzed to determine their structure.