Exploring the Potential of Bimetallic PtPd/C Cathode Catalysts to Enhance the Performance of PEM Fuel Cells.

Bimetallic platinum-containing catalysts are deemed promising for electrolyzers and proton-exchange membrane fuel cells (PEMFCs). A significant number of laboratory studies and commercial offers are related to PtNi/C and PtCo/C electrocatalysts. The behavior of PtPd/C catalysts has been studied much less, although palladium itself is the metal closest to platinum in its properties.

New Approach to Synthesizing Cathode PtCo/C Catalysts for Low-Temperature Fuel Cells.

The presented study is concerned with a new multi-step method to synthesize PtCo/C materials based on composite CoO/C that combines the advantages of different liquid-phase synthesis methods. Based on the results of studying the materials at each stage of synthesis with the TG, XRD, TEM, SEI, TXRF, CV and LSV methods, a detailed overview of the sequential changes in catalyst composition and structure at each stage of the synthesis is presented. The PtCo/C catalyst synthesized with the multi-step method is characterized by a uniform distribution of bimetallic nanoparticles of about 3 nm in size over the surface of the support, which result in its high ESA and ORR activity.

C-O Coupling of Hydrazones with Diacetyliminoxyl Radical Leading to Azo Oxime Ethers-Novel Antifungal Agents.

Selective oxidative C-O coupling of hydrazones with diacetyliminoxyl is demonstrated, in which diacetyliminoxyl plays a dual role. It is an oxidant (hydrogen atom acceptor) and an O-partner for the oxidative coupling. The reaction is completed within 15-30 min at room temperature, is compatible with a broad scope of hydrazones, provides high yields in most cases, and requires no additives, which makes it robust and practical.

Synthesis and Evaluation on the Fungicidal Activity of S-Alkyl Substituted Thioglycolurils.

A series of S-alkyl substituted thioglycolurils was prepared through the alkylation of corresponding thioglycolurils with halogenoalkanes and tested for their fungicidal activity against six phytopathogenic fungi from different taxonomic classes: , , , , , and and two pathogenic yeasts: and . A number of S-alkyl substituted thioglycolurils exhibited high activity against and (85-100% mycelium growth inhibition), and moderate activity against other phytopathogens. S-Ethyl substituted thioglycolurils possessed a high activity against .

Differential regulation of mRNA stability modulates transcriptional memory and facilitates environmental adaptation.

Transcriptional memory, by which cells respond faster to repeated stimuli, is key for cellular adaptation and organism survival. Chromatin organization has been shown to play a role in the faster response of primed cells. However, the contribution of post-transcriptional regulation is not yet explored.

A palmitate-rich metastatic niche enables metastasis growth via p65 acetylation resulting in pro-metastatic NF-κB signaling.

Metabolic rewiring is often considered an adaptive pressure limiting metastasis formation; however, some nutrients available at distant organs may inherently promote metastatic growth. We find that the lung and liver are lipid-rich environments. Moreover, we observe that pre-metastatic niche formation increases palmitate availability only in the lung, whereas a high-fat diet increases it in both organs.

OPUSeq simplifies detection of low-frequency DNA variants and uncovers fragmentase-associated artifacts.

Detection of low-frequency DNA variants (below 1%) is becoming increasingly important in biomedical research and clinical practice, but is challenging to do with standard sequencing approaches due to high error rates. The use of double-stranded unique molecular identifiers (dsUMIs) allows correction of errors by comparing reads arising from the same original DNA duplex. However, the implementation of such approaches is still challenging.

Reproductive Function of Male Rats and Motor Activity of Their Offspring in Fire Emissions Modeling.

We studied the reproductive function of albino male rats after long-term exposure to wildfire smoke and the species-specific behavior of their sexually mature offspring. After the end of exposure, the mean number of spermatogonia and the relative number of Leydig cells in rat testes decreased and the index of spermatogenesis decreased. The offspring of exposed males mated with intact females demonstrated impaired cognitive abilities and disturbances of species-specific behavior.

Alterations in CNS Functions and DNA Methylation in Rats after 24 h Exposure to Peat Smoke.

The use of a developed experimental model of a natural fire made it possible to assess the consequences of 24 h exposure to peat combustion products in albino rats. Peat smoke exposure leads to behavioral disturbances in rats, characterized by an increase in locomotor activity and an increased level of anxiety. Indicators of brain bioelectrical activity of the exposed animals supported the state of anxiety and psychoemotional stress.

Prediction of protein assemblies, the next frontier: The CASP14-CAPRI experiment.

We present the results for CAPRI Round 50, the fourth joint CASP-CAPRI protein assembly prediction challenge. The Round comprised a total of twelve targets, including six dimers, three trimers, and three higher-order oligomers. Four of these were easy targets, for which good structural templates were available either for the full assembly, or for the main interfaces (of the higher-order oligomers).

Stability and activity of platinum nanoparticles in the oxygen electroreduction reaction: is size or uniformity of primary importance?

Platinum-carbon catalysts are widely used in the manufacturing of proton-exchange membrane fuel cells. Increasing Pt/C activity and stability is an urgent task and the optimization of their structure seems to be one of the possible solutions. In the present paper, Pt/C electrocatalysts containing small (2-2.

Influence of Electrochemical Pretreatment Conditions of PtCu/C Alloy Electrocatalyst on Its Activity.

A carbon supported PtCu/C catalyst, which demonstrates high activity in the oxygen electroreduction and methanol electrooxidation reactions in acidic media, has been obtained using a method of chemical reduction of Pt (IV) and Cu (2+) in the liquid phase. It has been found that the potential range of the preliminary voltammetric activation of the PtCu/C catalyst has a significant effect on the de-alloyed material activity in the oxygen electroreduction reaction (ORR). High-resolution transmission electron microscopy (HRTEM) demonstrates that there are differences in the structures of the as-prepared material and the materials activated in different potential ranges.

Assessment and abatement of the eco-risk caused by mine spoils in the dry subtropical climate.

The highly rugged mountainous land topography of the Novorossiysk industrial agglomeration (NW Caucasus, Krasnodar Krai, Russia) and arid climate limit the restoration abilities of disturbed mine lands. Abandoned waste-rock dumps of a marl quarry occupy an area of ca. 150,000 m next to the cement plant, residential districts, and a commercial seaport.

Direct detection of SARS-CoV-2 using non-commercial RT-LAMP reagents on heat-inactivated samples.

RT-LAMP detection of SARS-CoV-2 has been shown to be a valuable approach to scale up COVID-19 diagnostics and thus contribute to limiting the spread of the disease. Here we present the optimization of highly cost-effective in-house produced enzymes, and we benchmark their performance against commercial alternatives. We explore the compatibility between multiple DNA polymerases with high strand-displacement activity and thermostable reverse transcriptases required for RT-LAMP.

Thermal desorption treatment of petroleum hydrocarbon-contaminated soils of tundra, taiga, and forest steppe landscapes.

The results of field, analytical, and experimental research at a number of production facilities reflect the properties of oil-contaminated soils in 3 landscapes: the permafrost treeless Arctic ecosystem, boreal forest, and temperate-climate grassland-woodland ecotone. Laboratory studies have revealed the concentrations of petroleum hydrocarbons in soils, ranging from medium levels of 2000-3000 mg/kg to critical figures over 5000 mg/kg, being 2-25 times higher than the permissible content of oil products in soils. The experimentally applied thermal effects for the oil products desorption from the soil allowed finding an optimal regime: the treatment temperature from 25 to 250 °C reduces the concentrations to an acceptable value.

Paternal Biomass Smoke Exposure in Rats Produces Behavioral and Cognitive Alterations in the Offspring.

Particular concern at the present stage is the health effects of wildfires' smoke. The aim of the study was to determine the impact of paternal biomass-smoke exposure on offspring's behavior and cognitive abilities. Male rats were exposed to biomass smoke for four hours/day, five days/week, for four weeks.

A functional connection between translation elongation and protein folding at the ribosome exit tunnel in Saccharomyces cerevisiae.

Proteostasis needs to be tightly controlled to meet the cellular demand for correctly de novo folded proteins and to avoid protein aggregation. While a coupling between translation rate and co-translational folding, likely involving an interplay between the ribosome and its associated chaperones, clearly appears to exist, the underlying mechanisms and the contribution of ribosomal proteins remain to be explored. The ribosomal protein uL3 contains a long internal loop whose tip region is in close proximity to the ribosomal peptidyl transferase center.

Rpb4 and Puf3 imprint and post-transcriptionally control the stability of a common set of mRNAs in yeast.

Gene expression involving RNA polymerase II is regulated by the concerted interplay between mRNA synthesis and degradation, crosstalk in which mRNA decay machinery and transcription machinery respectively impact transcription and mRNA stability. Rpb4, and likely dimer Rpb4/7, seem the central components of the RNA pol II governing these processes. In this work we unravel the molecular mechanisms participated by Rpb4 that mediate the posttranscriptional events regulating mRNA imprinting and stability.

Protein-Protein and Protein-Peptide Docking with ClusPro Server.

The process of creating a model of the structure formed by a pair of interacting molecules is commonly referred to as docking. Protein docking is one of the most studied topics in computational and structural biology with applications to drug design and beyond. In this chapter, we describe ClusPro, a web server for protein-protein and protein-peptide docking.

Effective Platinum-Copper Catalysts for Methanol Oxidation and Oxygen Reduction in Proton-Exchange Membrane Fuel Cell.

The behavior of supported alloyed and de-alloyed platinum-copper catalysts, which contained 14-27% wt. of Pt, was studied in the reactions of methanol electrooxidation (MOR) and oxygen electroreduction (ORR) in 0.1 M HClO solutions.

ClusPro in rounds 38 to 45 of CAPRI: Toward combining template-based methods with free docking.

Targets in the protein docking experiment CAPRI (Critical Assessment of Predicted Interactions) generally present new challenges and contribute to new developments in methodology. In rounds 38 to 45 of CAPRI, most targets could be effectively predicted using template-based methods. However, the server ClusPro required structures rather than sequences as input, and hence we had to generate and dock homology models.

Deoxofluorination of (Hetero)aromatic Acids.

Diverse trifluoromethyl-substituted compounds were synthesized by deoxofluorination of cinnamic and (hetero)aromatic carboxylic acids with sulfur tetrafluoride. The obtained products were used as starting materials in the preparation of novel fluorinated amino acids, anilines, and aliphatic amines - valuable building blocks for medicinal chemistry and agrochemistry.

Sampling and refinement protocols for template-based macrocycle docking: 2018 D3R Grand Challenge 4.

We describe a new template-based method for docking flexible ligands such as macrocycles to proteins. It combines Monte-Carlo energy minimization on the manifold, a fast manifold search method, with BRIKARD for complex flexible ligand searching, and with the MELD accelerator of Replica-Exchange Molecular Dynamics simulations for atomistic degrees of freedom. Here we test the method in the Drug Design Data Resource blind Grand Challenge competition.

ClusPro LigTBM: Automated Template-based Small Molecule Docking.

The template-based approach has been essential for achieving high-quality models in the recent rounds of blind protein-protein docking competition CAPRI (Critical Assessment of Predicted Interactions). However, few such automated methods exist for protein-small molecule docking. In this paper, we present an algorithm for template-based docking of small molecules.