TD-DFT assessment of UV-vis spectra palladium and platinum complexes with thiols and disulfides.

Time-dependent density functional theory (TD-DFT) and spectrophotometric methods were used for speciation analysis in systems disulfides (cystine, cystamine, homocystine, 3,3-dithiodipropionic acid) - [PdCl] or [PtCl]. We use the M06-2X and CAM-B3LYP density functionals with Def2-SVP basis set to reproduce the experimental UV-vis spectra; the polarized continuum solvation model (PCM) was fitted to take into account solvation effects of the medium (water). Used methods have shown the good agrees with the experiment - theoretical values of transition energies differ from real parameters within ±0.

Single-Crystal Diamond Needle Fabrication Using Hot-Filament Chemical Vapor Deposition.

Single-crystal diamonds in the form of micrometer-scale pyramids were produced using a combination of hot-filament (HF) chemical vapor deposition (CVD) and thermal oxidation processes. The diamond pyramids were compared here with similar ones that were manufactured using plasma-enhanced (PE) CVD. The similarities revealed in the morphology, Raman, and photoluminescent characteristics of the needles obtained using the hot-filament and plasma-enhanced CVD are discussed in connection with the diamond film growth mechanism.

Constructing slow-release formulations of herbicide metribuzin using its co-extrusion with biodegradable polyester poly-ε-caprolactone.

Different technologies to prepare long term pesticide forms include polymer coating, preparing composites and encapsulating pesticides in nanoparticles. A simple and low-cost method was proposed to obtain slow-release formulations by co-extrusion of a pesticide with a biodegradable polymer at a temperature above the melting points of both components. A herbicide metribuzin and low-melting polyester poly-ε-caprolactone were chosen for this work.

Properties of degradable polyhydroxyalkanoates with different monomer compositions.

Purpose: To synthesize and investigate polyhydroxyalkanoates (PHAs) with different monomer composition and percentages and polymer films prepared from them.

Results: Various PHAs: homopolymer poly-3-hydroxybutyrate P(3HB) and 2-, 3-, and 4-component copolymers comprising various combinations of 3-hydroxybutyrate (3HB), 3-hydroxyvalerate (3HV), 4-hydroxybutyrate (4HB), and 3-hydroxyhexanoate (3HHx) monomers were synthesized under specialized conditions. Relationships were found between the monomer composition of PHAs and their molecular-weight and thermal properties and degree of crystallinity.

Unusual shift in the visible absorption spectrum of an active ctenophore photoprotein elucidated by time-dependent density functional theory.

Active hydromedusan and ctenophore Ca-regulated photoproteins form complexes consisting of apoprotein and strongly non-covalently bound 2-hydroperoxycoelenterazine (an oxygenated intermediate of coelenterazine). Whereas the absorption maximum of hydromedusan photoproteins is at 460-470 nm, ctenophore photoproteins absorb at 437 nm. Finding out a physical reason for this blue shift is the main objective of this work, and, to achieve it, the whole structure of the protein-substrate complex was optimized using a linear scaling quantum-mechanical method.

Non-English languages enrich scientific knowledge: The example of economic costs of biological invasions.

We contend that the exclusive focus on the English language in scientific research might hinder effective communication between scientists and practitioners or policy makers whose mother tongue is non-English. This barrier in scientific knowledge and data transfer likely leads to significant knowledge gaps and may create biases when providing global patterns in many fields of science. To demonstrate this, we compiled data on the global economic costs of invasive alien species reported in 15 non-English languages.

Rational Design and Mutagenesis of Fungal Luciferase from Neonothopanus nambi.

The recently described bioluminescent system from fungi has great potential for developing highly efficient tools for biomedical research. Luciferase enzyme is one of the most crucial components of this system. The luciferase from Neonothopanus nambi fungus belongs to the novel still undescribed protein family.

Software for Matching Standard Activity Enzyme Biosensors for Soil Pollution Analysis.

This work is dedicated to developing enzyme biosensor software to solve problems regarding soil pollution analysis. An algorithm and specialised software have been developed which stores, analyses and visualises data using JavaScript programming language. The developed software is based on matching data of 51 non-commercial standard soil samples and their inhibitory effects on three enzyme systems of varying complexity.

Zooplankton carcasses stimulate microbial turnover of allochthonous particulate organic matter.

Carbon turnover in aquatic environments is dependent on biochemical properties of organic matter (OM) and its degradability by the surrounding microbial community. Non-additive interactive effects represent a mechanism where the degradation of biochemically persistent OM is stimulated by the provision of bioavailable OM to the degrading microbial community. Whilst this is well established in terrestrial systems, whether it occurs in aquatic ecosystems remains subject to debate.

Metabolic activity of cryogenic soils in the subarctic zone of Siberia towards "green" bioplastics.

The present study investigates, for the first time, the structure of the microbial community of cryogenic soils in the subarctic region of Siberia and the ability of the soil microbial community to metabolize degradable microbial bioplastic - poly-3-hydroxybutyrate [P(3HB)]. When the soil thawed, with the soil temperature between 5-7 and 9-11 °C, the total biomass of microorganisms at a 10-20-cm depth was 226-234 mg g soil and CO production was 20-46 mg g day. The total abundance of microscopic fungi varied between (7.

Determining binding constants for 1:1 and 1:2 inclusion complexes of ester betulin derivatives with (2-hydroxypropyl)-β-cyclodextrin by affinity capillary electrophoresis.

The complexation of ester betulin derivatives with (2-hydroxypropyl)-β-cyclodextrin (HP-β-CD) was studied by mobility shift affinity CE. Electrophoretic mobility for triangular peaks was calculated using the parameter a of the Haarhoff-Van der Linde function instead of the peak top time. Dependences of the viscosity corrected electrophoretic mobility on HP-β-CD concentration were not described on the basis of only complexes with 1:1 stoichiometry due to the fact that these binding curves did not reach a plateau.

Long-term trends and speciation of artificial radionuclides in two submerged macrophytes of the Yenisei River: A comparative study of Potamogeton lucens and Fontinalis antipyretica.

Long-term trends of artificial radionuclides, from 2003 to 2018, in two abundant species of macrophytes, shining pondweed, Potamogeton lucens, and water moss, Fontinalis antipyretica, have been analyzed to estimate the indicative reliability of these two species as biomonitors of radioactive contamination in a river system and to quantify the decrease in the content of artificial radionuclides in the Yenisei River. Time-dependent trends of artificial radionuclides in the biomass of these species were similar, resulting in estimates of effective half-lives for Mn, Co, Co, Zn, Cs, and Eu similar for both species. Concentrations of artificial radionuclides in biomass of shining pondweed and water moss correlated with annual discharges of the radionuclides to the Yenisei at different levels of significance, and the strongest (R > 0.

Effective separation of chromium species in technological solutions using amino-immobilized silica prior to their determination.

Amino-immobilized (poly(4,9-dioxadodecane-1,12-guanidine, polydiallyldimethylammonium, hexadimethrin bromide, polyhexamethylene guanidine) silicas were proposed for chromium speciation for the first time. Adsorbents surface was characterized by TGA-DSC, FT-IR, CHN, XRD and SEM analysis. Polyamines were strongly fixed on the silica surface and were not washed off with solutions of 3М HNO and 20 g L NaCl.

Poly-3-hydroxybutyrate/chitosan composite films and nonwoven mats.

Composite films and nonwoven mats of the poly-3-hydroxybutyrate and chitosan natural polymers were prepared and investigated. DSC and FTIR techniques were used to confirm that P(3HB) blending with chitosan resulted in a decrease in P(3HB) crystallinity to 47% and 62% in the films and nonwoven mats, respectively. Scanning electron microscopy showed that addition of chitosan induced changes in the surface morphology of the composite films and a reduction in the diameter of ultrafine fibers in the nonwoven mats from 800 nm to 460 nm.

The effect of the pesticide delivery method on the microbial community of field soil.

The study deals with the effects of herbicides (metribuzin, tribenuron-methyl, fenoxaprop-P-ethyl) and fungicides (tebuconazole, epoxiconazole, azoxystrobin) applied to soil as free pesticides or as slow release formulations embedded in a biodegradable composite matrix on the structure of the soil microbial community. The matrix consisted of a natural biopolymer poly-3-hydroxybutyrate [P(3HB)] and a filler-one of the natural materials (peat, clay, and wood flour). The soil microbial community was characterized, including the major eco-trophic groups of bacteria, dominant taxa of bacteria and fungi, and primary P(3HB)-degrading microorganisms, such as Pseudomonas, Bacillus, Pseudarthrobacter, Streptomyces, Penicillium, and Talaromyces.

Coelenterazine-Dependent Luciferases as a Powerful Analytical Tool for Research and Biomedical Applications.

The functioning of bioluminescent systems in most of the known marine organisms is based on the oxidation reaction of the same substrate-coelenterazine (CTZ), catalyzed by luciferase. Despite the diversity in structures and the functioning mechanisms, these enzymes can be united into a common group called CTZ-dependent luciferases. Among these, there are two sharply different types of the system organization-Ca-regulated photoproteins and luciferases themselves that function in accordance with the classical enzyme-substrate kinetics.

Efficacy of Slow-Release Formulations of Metribuzin and Tribenuron Methyl Herbicides for Controlling Weeds of Various Species in Wheat and Barley Stands.

The herbicidal activity of long-acting formulations of metribuzin and tribenuron methyl herbicides embedded in granules prepared from a mixture of degradable poly(3-hydroxybutyrate) and birch wood flour was studied in laboratory-grown weeds of various species and in wheat and barley stands infested by weeds. The constructed formulations effectively suppressed all species of weeds studied. The biological effectiveness of herbicide formulations toward intact plants in wheat and barley stands infested with weeds was close to 100%, which was significantly higher than the effect of their free forms.

A noninvasive and qualitative bioluminescent assay for express diagnostics of athletes' responses to physical exertion.

Upcoming professional sports authorities seek rapid noninvasive biosensing tools for regular monitoring of athletes' physiological states. The analysis of saliva through luminescence-based biosensors has been perceived as a suitable candidate for such purposes. The present study reports a qualitative bioluminescence assay based on a coupled enzyme system that consists of bacterial luciferase (BLuc) and nicotinamide adenine dinucleotide (NADH):flavin mononucleotide (FMN) oxidoreductase (Red), BLuc-Red, for the express diagnostics of athletes' stress levels before and after physical exertion.

Humic Substances Mitigate the Impact of Tritium on Luminous Marine Bacteria. Involvement of Reactive Oxygen Species.

The paper studies the combined effects of beta-emitting radionuclide tritium and Humic Substances (HS) on the marine unicellular microorganism-luminous bacteria-under conditions of low-dose radiation exposures (<0.04 Gy). Tritium was used as a component of tritiated water.

Recent atmospheric drying in Siberia is not unprecedented over the last 1,500 years.

Newly developed millennial δC larch tree-ring chronology from Siberia allows reconstruction of summer (July) vapor pressure deficit (VPD) changes in a temperature-limited environment. VPD increased recently, but does not yet exceed the maximum values reconstructed during the Medieval Warm Anomaly. The most humid conditions in the Siberian North were recorded in the Early Medieval Period and during the Little Ice Age.

Production of Porous Films Based on Biodegradable Polyesters by the Casting Solution Technique Using a Co-Soluble Porogen (Camphor).

Porous films have been prepared from degradable polymers-poly-3-hydroxybutyrate (PHB), poly-ε-caprolactone (PCL) and a blend of these polymers (1:3)-by adding porogen (camphor) to the polymer solution at 10%, 30% or 50% of the total mass of the polymer and porogen, and leaching it out afterwards. After the rinse, camphor content in films decreased to about 0.025%.

Reporter-recruiting bifunctional aptasensor for bioluminescent analytical assays.

We report a novel bioluminescent aptasensor, which consists of 2'-F-RNA aptamer modules joined into a bi-specific aptamer construct. One aptamer module binds the analyte, then after structural rearrangement the second module recruits non-covalently Ca-dependent photoprotein obelin from the solution, thus providing a bioluminescent signal. This concept allows using free protein as a reporter, which brings such advantages as no need for aptamer-protein conjugation, a possibility of thermal re-folding of aptamer component with no harm to a protein, and simpler detection protocol.