


Vol 74, No 3 (2019)
- Year: 2019
- Articles: 11
- URL: https://bakhtiniada.ru/0027-1314/issue/view/9968
Article
A Fuzzy Set of Generating Contacts in a Molecular Agglomerate
Abstract
It is shown that, from the viewpoint of the theory of fuzzy sets, a set of generating (key) contacts in any molecular agglomerate can be considered as a fuzzy set. Sets of generating contacts are investigated and systematized for monosystemic chain molecular agglomerates. The degrees of fuzziness of fuzzy sets of generating contacts are compared.


Electronic Steric Factors in the Active Site of Metallo-β-Lactamase and Reactivity of Cephalosporin Antibiotics
Abstract
In this paper, the relationship of electronic steric factors in the active site of metallo-β-lactamase and reactivity of cephalosporin antibiotics is studied. The steric energy of the oxygen atom forming a temporary covalent bond in the structure of the transition state of the limiting stage characterizes the reactivity of the compounds. A linear relationship between this value and the macroscopic parameter of the stationary Michaelis–Menten kinetics (catalytic constant kcat) is proposed: the increase in the rate constant is associated with an increase in steric energy. Two-dimensional maps of the steric potential and steric energy density are analyzed.


Crucible Atomizers Open Up New Opportunities for the Atomic Absorption Analysis of Trace Elements in Solid Samples with the Use of Fractional Evaporation
Abstract
The atomic absorption analysis of trace elements in natural solid samples with the use of an improved crucible atomizer with several condensation/evaporation zones is shown to be advantageous. A new approach to fractional preconcentration is proposed, including two stages of thermal decomposition (high-temperature and low-temperature) of solid sample components when elements are evaporated and their vapors are condensed in heated and unheated zones. This approach facilitates the efficient suppression of non-selective interferences and matrix effects. It also improves the metrological characteristics of the element analysis of samples of complex composition.


Chemiluminescence Reactions of Luminol and N-Octyl Luminol with Hypochlorite in Anionic Surfactants
Abstract
A comparative study of the kinetics of the chemiluminescent reaction of luminol, localized in the aqueous phase, and its hydrophobic analogue, N-octyl luminol, localized in the micellar phase, with the hypochlorite ion in anionic sodium dodecyl sulfate micelles at various surfactant concentrations is carried out. The dependence of the rate constant of the accumulation and decay of the intermediate product on the presence and concentration of the surfactant in the reaction mixture is determined.


Some Features of the Synthesis of Polyamine Hardeners Based on Bisphenol A
Abstract
The possibility of synthesizing aromatic polyamine hardeners for epoxy resins based on the adducts of the interaction of 4,4'-dihydroxy-2,2-diphenylpropane (Bisphenol A), formaldehyde, and N,N '-bis(2-aminoethyl)-1,2-ethanediamine in several solvents under various conditions is studied. The examination and comparison of the physical characteristics of the obtained hardeners and a comparative analysis of the test results on the coatings hardened by the obtained compound with the characteristics of the coatings obtained using a commercial hardener is performed.


Electrochemical Oxidation of Difenoconazole in Solutions: LC/MS Identification of Reaction Products
Abstract
Electrochemical transformation of difenoconazole (3-chloro-4-((2RS,4RS;2RS,4SR)-4-methyl-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-yl)phenyl 4-chlorophenyl ether) is studied in mixed-aqueous solvents (a mixture of aqueous ammonium formate (pH = 7.4) and acetonitrile (ACN) in a volume ratio of 3 : 1); the difenoconazole solution’s concentration is 100 μg/mL. The products are analyzed by chromatography–mass spectroscopy (HPLC/ESI MS/MS). Many of the products of difenoconazole electrochemical transformations result from oxidation involving the aliphatic part of the molecule.


Synthesis, Crystal Structure, and Thermodynamic Functions of GeSnSb4Te8
Abstract
A quaternary compound GeSnSb4Te8 formed in the GeSnSb2Te4–SnSb2Te4 system in a ratio of GeSnSb2Te4 : SnSb2Te4 = 1 : 1 is studied for the first time with various physicochemical methods and thermodynamic calculations in a wide temperature range. The compound GeSnSb4Te8 melts congruently at 950 K. The enthalpy of the formation Δ


Synthesis and Crystal Structure of Nikel(II) and Zinc(II) Complexes with Benzoylacetic Aldehyde Derivatives
Abstract
Ni(II) and Zn(II) complexes of composition MLn ⋅ NH3 (n = 1–3) are synthesized based on condensation products of benzoylacetic aldehyde with aromatic acid hydrazides (H2L1–H2L3). The resulting complexes are studied by elemental analysis, as well as IR and NMR spectroscopy. The structure of complex NiL2 ⋅ Py is determined by the method of the XRD analysis (CIF file CCDC no. 1508698).


Quantification of Hexamethylenediamide Bis(N-Monosuccinyl-L-Seryl-L-Lysine) (GSB-106) in the Blood Plasma by HPLC–MS
Abstract
The technique of the quantitative determination of GSB-106 in the blood plasma of rats is developed and validated. The analysis is performed by HPLC–MS. The method is linear in the range of 50 to 1000 ng/mL. The GSB-106 recovery from blood plasma was 82.15%. The lower limit of quantification was 50 ng/mL.


Quantification of Hexamethylenediamide Bis(N-Monosuccinyl-L-Glutamyl-L-Lysine) in Blood Plasma by HPLC–MS
Abstract
The quantitative determination of a new compound hexamethylenediamide bis(N-monosuccinyl-L-glutamyl-L-lysine) (GK-2) in rat blood plasma is developed and validated by the HPLC–MS technique. The method is linear in the range of 10 to 1000 ng/mL. It is shown that 81.62% of GK-2 is recovered from the plasma. The lower limit of its quantification was 10 ng/mL.


The Level of Bioelements in the Hair and Serum in Children with Autism Spectrum Disorders
Abstract
In this research, we present an overview of the biometals content in serum and hair samples taken from children with autism spectrum disorder (ASD). Under the observation were 38 children with ASD (age 7.9 ± 2 years). The comparison group included 20 children without ASD symptoms (age 7.7 ± 2 years). We found elevated levels of magnesium and phosphorus (4.3 and 2.8 times), as well as iron and selenium deficiencies in hair samples collected from children with ASD. Children with ASD had a statistically significant excess cadmium content in the hair compared with the control group (U = 91, p = 0.038); an excess of toxic elements (aluminum, mercury, cadmium) was detected in the blood serum of children with ASD. It was found that the level of elements essential for the functioning of the nervous and immune systems was lower, and the amount of toxic trace elements was significantly higher in children with ASD.

