Search Results (74)

Background: Various thiolactones are known as biologically active compounds, capable of stimulating the development of several human diseases and quorum sensing of Gram–positive bacteria. The enzymatic hydrolysis of thiolactones represents a promising approach to preventing their action. Methods: Thirteen enzymes, including various lactonases and serine hydrolases were studied in this work using several substrates including the homocysteine thiolactone (HTL), and its derivatives the N–acetylhomocysteine thiolactone (C₂–HTL) and the isobutyryl–homocystein thiolactone (i–but–HTL). The potential interactions of the ligands with the surface of enzymes molecules were predicted in silico using computational modeling and checked in wet experiments in vitro. Results: Based on the data obtained several enzymes were selected with localization of the thiolactones near their active sites, indicating the possibility of effective catalysis. The lactonase (AiiA), metallo-β-lactamase (NDM-1) and the organophosphate hydrolase with hexahistidine tag (His₆–OPH) were among them. Determination of catalytic characteristics of enzymes in the hydrolytic reactions with the HTL and the C₂–HTL revealed the maximal value of catalytic efficiency constant for the NDM-1 in the hydrolysis of the HTL (826 M⁻¹ s⁻¹). The maximal activity in the hydrolysis of C₂–HTL was established for AiiA (137 M⁻¹ s⁻¹). The polyaspartic (PLD₅₀) and the polyglutamic (PLE₅₀) acids were used to obtain polyelectrolyte complexes with enzymes. The further combination of these complexes with the clotrimazole and polymyxin B possessing antimicrobial properties resulted in notable improvement of their action in relation to Staphylococcus cells. Conclusions: It was revealed that the antimicrobial activity of the polymyxin B is enhanced by 9–10 times against bacteria and yeast when combined with the His₆–OPH polyelectrolyte complexes. The antimicrobial activity of clotrimazole was increased by ~7 times against Candida tropicalis cells in the case of the AiiA/PLE₅₀/Clotrimazole combination. These results make the obtained biology attractive and promising for their further advancement to practical application. Full article

In this contribution, two silsesquioxane–cyclopentadienyl titanium complexes featuring one or two chloride ancillary ligands, [Ti(η⁵-C₅H₄SiMeO₂Ph₇Si₇O₁₀-κO)Cl₂] (1) and [Ti(η⁵-C₅H₄SiMe₂OPh₇Si₇O₁₁-κ²O₂)Cl] (2), were synthesized and evaluated in the Ziegler–Natta polymerization of styrene and the ring-opening polymerization (ROP) of L-lactide, respectively. Complex 1, activated with methylaluminoxane (MAO), catalyzed the syndiotactic polymerization of styrene with turnover frequencies up to 28 h⁻¹, affording polymers with narrow dispersity, low number-average molecular weights (M_n = 5.2–8.2 kDa), and high stereoregularity, as confirmed by ¹³C NMR. Complex 2, in combination with benzyl alcohol, promoted the ring-opening polymerization of L-lactide in solution at 100 °C, achieving conversions up to 95% with good molecular weight control (M_n close to theoretical, Đ = 1.19–1.32). Under melt conditions at 175 °C, it converted up to 3000 equiv. of monomer within 1 h. Kinetic analysis revealed first-order dependence on monomer concentration. The results highlight the ability of these complexes to produce syndiotactic polystyrene with narrow molecular weight distributions and to catalyze controlled ROP of L-lactide under both solution and melt conditions. Computational studies provided insight into key structural and energetic features influencing reactivity, offering a framework for further catalyst optimization. This work broadens the application scope of silsesquioxane–cyclopentadienyl titanium complexes and supports their potential as sustainable and versatile catalysts for both commodity and biodegradable polymer synthesis. Full article

The excessive use of fossil fuels could bring about a global environmental crisis. Transitioning from a carbon-based to a hydrogen-based economy is an important way to realize the low-carbon energy transition. The key to this economy transformation lies in the efficient utilization of hydrogen. Hydrogen liquefaction is an efficient technology for the transportation and storage of hydrogen, and the liquid hydrogen produced is also a direct feedstock for many important fields. Large-scale liquefaction of hydrogen has not been commercialized due to its high energy consumption (>10 kWh/kg_LH2) and low efficiency (<30%). However, conceptual designs for hydrogen liquefaction with a low energy consumption (about 6.4 kWh/kg_LH2) and high efficiency (>40%) are frequently reported in the existing literature. Therefore, in this paper, the production process of liquid hydrogen is reviewed from three aspects, which are hydrogen pre-cooling, hydrogen cryo-cooling, and ortho-para hydrogen (OPH) conversion. The focus is to summarize effective and realistic hydrogen liquefaction schemes in the existing studies to provide process guidance for the subsequent practical production of liquid hydrogen. The development of open and closed refrigeration cycles for hydrogen pre-cooling is reviewed following the lead of pre-coolant types. The implementation methods of structural optimization of different hydrogen cryo-cooling cycles are clarified and the performance improvements achieved are compared. Different modes of OPH conversion are presented and their realization in simulation and practical applications is summarized. Finally, subjective recommendations are given regarding the content of the review. Full article

This paper elaborates on the proposal of a new analytical model for a non-ballistic transport scenario for Schottky barrier carbon nanotube field effect transistors (SB-CNTFETs). The non-ballistic transport scenario depends on incorporating the effects of acoustic phonon (A-Ph) and optical phonon (O-Ph) electron scattering mechanisms. The analytical model is rooted in the solution of the Landauer integral equation, which is modified to account for non-ballistic transport through a set of approximations applied to the Wentzel–Kramers–Brillouin (WKB) transmission probability and the Fermi–Dirac distribution function. Our proposed model was simulated to evaluate the total current and transconductance, considering scenarios both with and without the electron–phonon scattering effect. The simulation results revealed a substantial decrease of approximately 78.6% in both total current and transconductance due to electron–phonon scattering. In addition, we investigated the impact of acoustic phonon (A-Ph) and optical phonon (O-Ph) scattering on the drain current under various conditions, including different temperatures, gate lengths, and nanotube chiralities. This comprehensive analysis helps in understanding how these parameters influence device performance. Compared with experimental data, the model’s simulation results demonstrate a high degree of agreement. Furthermore, our fully analytical model achieves a significantly faster runtime, clocking in at around 2.726 s. This validation underscores the model’s accuracy and reliability in predicting the behavior of SB-CNTFETs under non-ballistic conditions. Full article

Through engagement with multi-stakeholders—including African, Caribbean, and Black (ACB) community members and leaders, as well as service providers in Ottawa, Ontario, Canada—this study explores in-depth narratives and first-hand accounts of their lived experiences in the context of COVID-19 vaccine promotion. A thematic analysis of the focus group discussions, conducted in NVivo, revealed that vaccine acceptance among ACB communities is shaped by factors such as racial discrimination, COVID-19 knowledge, misconceptions, communication strategies and barriers, preference for alternative medicines, and community resilience. These findings highlight several implications for policymakers and provide directions for future research. Full article

Organophosphorus hydrolase (OPH) is a highly effective bioscavenger for detoxifying hazardous organophosphorus compounds. However, its practical application is hindered by low yield and poor stability. In this study, we employed Small Ubiquitin-like Modifier (SUMO) fusion expression to enhance the solubility of the OPH mutant G5C23-D208G and, for the first time, immobilized the enzyme on a zeolitic imidazolate framework-F (ZIF-F) carrier to improve its stability. The SUMO-G5C23-D208G fusion protein was successfully expressed in Escherichia coli, resulting in a yield that was 2.4 times higher than that of native OPH and an 11-fold increase in solubility. The purified protein achieved a purity of 95%. The immobilized enzyme, SU-MO-G5C23-D208G@ZIF-F, exhibited a farfalle-shaped structure with a diameter of approximately 3–5 μm. Compared to the free enzyme, the immobilized enzyme maintained high catalytic efficiency (kcat/Km = 8.9 × 10⁴ M⁻¹·s⁻¹) and demonstrated enhanced thermal stability, pH stability, and reusability. This study has significantly improved the yield and stability of OPH, thereby supporting its potential for industrial applications. Full article

The [6+2] cycloaddition of (2-butyl-2,3-butadienyl)(trimethyl)silane and 2,3-butadienyl(trimethyl)silane to 1,3,5-cycloheptatriene was studied using titanium- and cobalt-containing multicomponent catalytic systems: R₂TiCl₂-R’_nAlCl_3-n (R = acac, PrⁱO, Bu^tO, Cl; R’ = Et, Buⁱ, n = 2, 3) and CoX₂(Y)/Z/ZnI₂ (X = acac, Br, I, Cl, OAc; Y = dppe, dppm, dppp, dppb, Ph₃P, P(OPrⁱ)₃, P(OPh)₃; Z = Zn, Mg, In, Bu₄NBH₄). The work investigated the influence of the nature of the central atom of the catalyst, the ligand environment of the catalyst, the nature of the organoaluminum cocatalyst, the reducing agent, the effect of temperature, as well as the nature of the solvent on the yield and stereoselectivity of the formation of cycloadducts. Catalytic cyclocodimerization occurs with the formation of silicon-containing bicyclo[4.2.1]nona-2,4-dienes, which are of interest as promising precursor compounds in the synthesis of new drugs. It is known that many bridged carbo- and heterocarbocyclic compounds containing silicon atoms in the structure have diverse biological activities and are valuable drugs. Based on this, the work for the first time carried out a comprehensive study of the antitumor activity of synthesized silicon-containing bicyclo[4.2.1]nona-2,4-dienes in vitro using various tumor cell lines (U937, K562, Jurkat, HL60) and normal fibroblasts. Full article

Aquaculture systems globally face significant environmental challenges, particularly concerning wastewater management. This review explores the innovative application of oxygenic photosynthetic microorganisms (OPhMs), specifically microalgae and cyanobacteria, as a sustainable solution for wastewater treatment within these systems. OPhMs offer a dual role in wastewater treatment by removing harmful pollutants such as nitrogen, phosphorus, and heavy metals, while simultaneously improving water quality through oxygenation. We evaluate the integration of OPhMs into existing aquaculture operations, considering key factors such as system design, operational conditions, and economic viability. Additionally, we discuss the potential of algal biomass as a secondary resource for producing biofuels, animal feed, and other bio-products, contributing to the circular economy model. Our findings highlight the ability of OPhM systems to significantly reduce the ecological footprint of aquaculture while recovering valuable resources. However, challenges such as process stability, especially under low-temperature conditions, and the efficiency of biomass harvesting, require further research. This study provides a comprehensive framework for future development and optimization of OPhM-based wastewater treatment systems to improve the sustainability of aquaculture operations. Full article

Although Candida albicans is the most frequently identified Candida species in clinical settings, a significant number of infections related to the non-albicans Candida (NAC) species, Candida krusei, has been reported. Both species are able to produce biofilms and have been an important resistance-related factor to antimicrobial resistance. In addition, the microbial relationship is common in the human body, contributing to the formation of polymicrobial biofilms. Considering the great number of reports showing the increase in cases of resistance to the available antifungal drugs, the development of new and effective antifungal agents is critical. The inhibitory effect of Organoselenium Compounds (OCs) on the development of Candida albicans and Candida krusei was recently demonstrated, supporting the potential of these compounds as efficient antifungal drugs. In addition, OCs were able to reduce the viability and the development of biofilms, a very important step in colonization and infection caused by fungi. Thus, the objective of this study was to investigate the effect of the Organoselenium Compounds (p-MeOPhSe)₂, (PhSe)_2, and (p-Cl-PhSe)₂ on the development of dual-species biofilms of Candida albicans and Candida krusei produced using either RPMI-1640 or Sabouraud Dextrose Broth (SDB) media. The development of dual-species biofilms was evaluated by the determination of both metabolic activity, using a metabolic assay based on the reduction of XTT (2,3-bis(2-methoxy-4-nitro-5-sulfophenyl)-2H-tetrazolium-5-carboxanilide sodium salt) assay and identification of either Candida albicans and Candida krusei on CHROMagar Candida medium. Biofilm formation using RPMI-1640 was inhibited in 90, 55, and 20% by 30 µM (p-MeOPhSe)₂, (PhSe)_2, and (p-Cl-PhSe)₂, respectively. However, biofilms produced using SDB presented an inhibition of 62, 30 and 15% in the presence of 30 µM (p-MeOPhSe)₂, (PhSe)_2, and (p-Cl-PhSe)₂, respectively. The metabolic activity of 24 h biofilms was inhibited by 35, 30 and 20% by 30 µM (p-MeOPhSe)₂, (PhSe)_2, and (p-Cl-PhSe)₂, respectively, with RPMI-1640; however, 24 h biofilms formed using SDB were not modified by the OCs. In addition, a great reduction in the number of CFUs of Candida albicans (93%) in biofilms produced using RPMI-1640 in the presence of 30 µM (p-MeOPhSe)₂ was observed. However, biofilms formed using SDB and treated with 30 µM (p-MeOPhSe)₂ presented a reduction of 97 and 69% in the number of CFUs of Candida albicans and Candida krusei, respectively. These results demonstrated that Organoselenium Compounds, mainly (p-MeOPhSe)_2, are able to decrease the metabolic activity of dual-species biofilms by reducing both Candida albicans and Candida krusei cell number during biofilm formation using either RPMI-1640 or SDB. Taken together, these results demonstrated the potential of the OCs to inhibit the development of dual-species biofilms of Candida albicans and Candida krusei. Full article

This paper presents two novel formulations for scheduling problems, namely order-position hybrid formulation (OPH) and order-disjunctive hybrid formulation (ODH), which extend and combine parts of existing formulation strategies. The first strategy (OPH) is based on sequence position and linear ordering formulations, adding relationships between constraints that allow relaxing some decision variables. The second approach (ODH) is based on linear ordering and disjunctive formulations. In this work, we prove ODH to be the most efficient formulation known so far. The experiments have been carried out with a large set of problems, which consider single machines and identical parallel machines. Computational results show that OPH is better than the rest of the existing formulations for the case of weighted completion objectives, while ODH turns out to be the best approach for most scenarios studied. Full article

Since the growing number of fungi resistant to the fungicides used is becoming a serious threat to human health, animals, and crops, there is a need to find other effective approaches in the eco-friendly suppression of fungal growth. One of the main mechanisms of the development of resistance in fungi, as well as in bacteria, to antimicrobial agents is quorum sensing (QS), in which various lactone-containing compounds participate as signaling molecules. This work aimed to study the effectiveness of action of enzymes exhibiting lactonase activity against fungal signaling molecules. For this, the molecular docking method was used to estimate the interactions between these enzymes and different lactone-containing QS molecules of fungi. The catalytic characteristics of enzymes such as lactonase AiiA, metallo-β-lactamase NDM-1, and organophosphate hydrolase His₆-OPH, selected for wet experiments based on the results of computational modeling, were investigated. QS lactone-containing molecules (butyrolactone I and γ-heptalactone) were involved in the experiments as substrates. Further, the antifungal activity of the enzymes was evaluated against various fungal and yeast cells using bioluminescent ATP-metry. The efficient hydrolysis of γ-heptalactone by all three enzymes and butyrolactone I by His₆-OPH was demonstrated for the first time. The high antifungal efficacy of action of AiiA and NDM-1 against most of the tested fungal cells was revealed. Full article

Neurodegenerative disorders pose a substantial risk to human health, and oxidative stress, cholinergic dysfunction, and inflammation are the major contributors. The purpose of this study was to explore the neuroprotective effects of oat protein hydrolysate (OPH) and identify peptides with neuroprotective potential. This study is the first to isolate and identify OPH peptides with neuroprotective potential, including DFVADHPFLF (DF-10), HGQNFPIL (HL-8), and RDFPITWPW (RW-9), by screening via peptidomes and molecular-docking simulations. These peptides showed positive effects on the activity of antioxidant enzymes and thus reduced oxidative stress through regulation of Nrf2-keap1/HO-1 gene expression in vitro and in vivo. The peptides also significantly ameliorated scopolamine-induced cognitive impairment in the zebrafish model. This improvement was correlated with mitigation of MDA levels, AChE activity, and levels of inflammatory cytokines in the brains of zebrafish. Furthermore, these peptides significantly upregulated the mRNA expression of Bdnf, Nrf2, and Erg1 in the brains of zebrafish with neurodegenerative disorders. Collectively, oat peptides have potential for use as active components in nutraceutical applications for the prevention of neurodegenerative diseases. Full article

Valence tautomerism (VT) may occur if a molecule contains two chemically different redox-active units, which differ only slightly in their intrinsic redox potential. Herein, we present three new half-sandwich complexes [(η⁶-arene)Cr(CO)₂L]⁺ with a triarylmethylium substituent appended to the π-coordinated arene and different coligands L (L = CO, P(OPh)₃, PPh₃, 1⁺–3⁺) at the chromium atom. Ligand substitution purposefully lowers the half-wave potential for chromium oxidation and thereby the redox potential difference towards tritylium reduction. For the PPh₃-substituted complex 3⁺, cyclic voltammetry measurements indicate that chromium oxidation and tritylium reduction occur at (almost) the same potential. This renders the diamagnetic Cr(0)-C₆H₄-CAr₂⁺ form 3⁺, and its paramagnetic diradical Cr(I)^+•-C₆H₄-CAr₂^• valence tautomer 3^+•• energetically nearly degenerate. Temperature-dependent IR spectroscopy indeed shows two pairs of carbonyl bands that are assignable to a Cr(0) and a Cr(I) species, coexisting in a T-dependent equilibrium with almost equal quantities for both at −70 °C. The diradical form with one unpaired spin at the trityl unit engages in a monomer ⇌ dimer equilibrium, which was investigated by means of quantitative EPR spectroscopy. The diradical species 1^+••–3^+•• were found to be highly reactive, leading to several identified reaction products, which presumably result from hydrogen atom abstraction via the trityl C atom, e.g., from the solvent. Full article

Active research of metal-containing compounds and enzymes as effective antifungal agents is currently being conducted due to the growing antifungal resistance problem. Metals are attracting special attention due to the wide variety of ligands that can be used for them, including chemically synthesized and naturally obtained variants as a result of the so-called “green synthesis”. The main mechanism of the antifungal action of metals is the triggering of the generation and accumulation of reactive oxygen species (ROS). Further action of ROS on various biomolecules is nonspecific. Various hydrolytic enzymes (glucanases and proteases), in turn, exhibit antifungal properties by affecting the structural elements of fungal cells (cell walls, membranes), fungal quorum sensing molecules, fungal own protective agents (mycotoxins and antibiotics), and proteins responsible for the adhesion and formation of stable, highly concentrated populations in the form of biofilms. A wide substrate range of enzymes allows the use of various mechanisms of their antifungal actions. In this review, we discuss the prospects of combining two different types of antifungal agents (metals and enzymes) against mycelial fungi and yeast cells. Special attention is paid to the possible influence of metals on the activity of the enzymes and the possible effects of proteins on the antifungal activity of metal-containing compounds. Full article

High-temperature polymer-electrolyte membrane fuel cells (HT-PEM FC) are a very important type of fuel cell since they operate at 150–200 °C, allowing the use of hydrogen contaminated with CO. However, the need to improve stability and other properties of gas diffusion electrodes still hinders their distribution. Anodes based on a mat (self-supporting entire non-woven nanofiber material) of carbon nanofibers (CNF) were prepared by the electrospinning method from a polyacrylonitrile solution followed by thermal stabilization and pyrolysis of the mat. To improve their proton conductivity, Zr salt was introduced into the electrospinning solution. As a result, after subsequent deposition of Pt-nanoparticles, Zr-containing composite anodes were obtained. To improve the proton conductivity of the nanofiber surface of the composite anode and reach HT-PEMFC better performance, dilute solutions of Nafion^®, a polymer of intrinsic microporosity (PIM-1) and N-ethyl phosphonated polybenzimidazole (PBI-OPhT-P) were used to coat the CNF surface for the first time. These anodes were studied by electron microscopy and tested in membrane-electrode assembly for H₂/air HT-PEMFC. The use of CNF anodes coated with PBI-OPhT-P has been shown to improve the HT-PEMFC performance. Full article