Identification of the Primary Factors Determining the Specificity of Human VKORC1 Recognition by Thioredoxin-Fold Proteins

Redox (reduction–oxidation) reactions control many important biological processes in all organisms, both prokaryotes and eukaryotes. This reaction is usually accomplished by canonical disulphide-based pathways involving a donor enzyme that reduces the oxidised cysteine residues of a target protein, resulting in the cleavage of its disulphide bonds. Focusing on human vitamin K epoxide reductase (hVKORC1) as a target and on four redoxins (protein disulphide isomerase (PDI), endoplasmic reticulum oxidoreductase (ERp18), thioredoxin-related transmembrane protein 1 (Tmx1) and thioredoxin-related transmembrane protein 4 (Tmx4)) as the most probable reducers of VKORC1, a comparative in-silico analysis that concentrates on the similarity and divergence of redoxins in their sequence, secondary and tertiary structure, dynamics, intraprotein interactions and composition of the surface exposed to the target is provided. Similarly, hVKORC1 is analysed in its native state, where two pairs of cysteine residues are covalently linked, forming two disulphide bridges, as a target for Trx-fold proteins. Such analysis is used to derive the putative recognition/binding sites on each isolated protein, and PDI is suggested as the most probable hVKORC1 partner. By probing the alternative orientation of PDI with respect to hVKORC1, the functionally related noncovalent complex formed by hVKORC1 and PDI was found, which is proposed to be a first precursor to probe thiol–disulphide exchange reactions between PDI and hVKORC1.     

On stochastic comparisons of finite mixtures for some semiparametric families of distributions

In this paper, we consider the classical finite mixture model, which is an effective tool for modeling lifetime distributions for random samples from heterogeneous populations. We discuss new results on stochastic comparison for two finite mixtures when each of them is drawn from one of the following semiparametric families, i.e., proportional hazards, accelerated lifetime and proportional reversed hazards.     

Transverse magnetoresistance peculiarities of thermoelectric Lu-doped Bi2Te3 compound due to strong electrical disorder

The n-type thermoelectric Bi_1.9Lu_0.1Te₃ was prepared by microwave-solvothermal method and spark plasma sintering. The magnetic field and temperature dependences of transverse magnetoresistance measured within temperature 2–200 K interval allow finding the peculiarities characteristic for strongly disordered and inhomogeneous semiconductors. The first peculiarity is due to appearance of linear-in-magnetic field contribution to the total magnetoresistance reflected in a crossover from quadratic magnetoresistance at low magnetic fields to linear magnetoresistance at high magnetic fields. The linear magnetoresistance can result from the Hall resistance picked up from macroscopically distorted current paths due to local variations in stoichiometry of the compound studied. The second peculiarity is that both linear magnetoresistance magnitude and crossover field are functions of carrier mobility which is in agreement with the Parish and Littlewood model developed for disordered and inhomogeneous semiconductors. An increase in the mobility due to a decrease in temperature is accompanied by an increase in the magnetoresistance magnitude and a decrease in the crossover field. Finally, the third peculiarity is related to the remarkable deviation of the total magnetoresistance measured at various temperatures from the Kohler's rule. Presence of strong inhomogeneity and disorder in the Bi_1.9Lu_0.1Te₃ structure concluded from the magnetoresistance peculiarities can be responsible for the remarkable reduction in the total thermal conductivity of this compound.     

Ultra-Robust Flexible Electronics by Laser-Driven Polymer-Nanomaterials Integration

Polyethylene terephthalate (PET) is the most widely used polymer in the world. For the first time, the laser-driven integration of aluminum nanoparticles (Al NPs) into PET to realize a laser-induced graphene/Al NPs/polymer composite, which demonstrates excellent toughness and high electrical conductivity with the formation of aluminum carbide into the polymer is shown. The conductive structures show an impressive mechanical resistance against >10000 bending cycles, projectile impact, hammering, abrasion, and structural and chemical stability when in contact with different solvents (ethanol, water, and aqueous electrolytes). Devices including thermal heaters, carbon electrodes for energy storage, electrochemical and bending sensors show this technology's practical application for ultra-robust polymer electronics. This laser-based technology can be extended to integrating other nanomaterials and create hybrid graphene-based structures with excellent properties in a wide range of flexible electronics’ applications.     

Quantifying adherence of oxide scales on steels exposed to high temperature and pressure steam

Oxide scale exfoliation is a major concern in fossil fuel power generation because it can cause tube blockages and erode valves and steam turbine components downstream. There is still considerable scientific and commercial interest to improve the mechanistic understanding of oxide failures by developing models to predict exfoliation and the extent of tube blockage as a function of operating conditions and component geometries. Tensile testing inside a scanning electron microscope was conducted on ferritic–martensitic and austenitic steel specimens with the steam side (Fe,Cr)-rich oxides grown after exposures for up to 1000 h in steam with ~100 ppb O₂ at 276 bar and 550°C. Multiple oxide layer cracks and delamination events were observed and analyzed in detail during the tests. Results from the testing agreed well with earlier observations that had identified the failure location at the outer–inner oxide layer for all tested materials. Calculated adhesion energies identified the outer–inner oxide interface of alloy 347HFG as the weakest interface.     

Thermal stability of the nanolayered Fe2AlB2 in nitrogen and argon atmospheres

The thermal stability and decomposition mechanisms of Fe₂AlB₂ powders, synthesized by reactive powder metallurgy, were studied under nitrogen (N₂) or argon (Ar) atmospheres. The effects of using different FeB precursors to synthesize the Fe₂AlB₂ and hydrochloric acid (HCl) purification treatments on the thermal stability were also investigated. When as-synthesized Fe₂AlB₂ powders are treated in dilute HCl to dissolve impurity phases, decomposition in N₂ atmospheres occurs readily above 1200 K. The decomposition reaction involves β-FeB precipitation and the liberated Al atoms reacting with the ambient N₂ to form AlN. Under Ar environments, HCl-treated Fe₂AlB₂ powders decompose and precipitate β-FeB, by the out-diffusion of Al from the nanolaminated structure. Interestingly, isothermal annealing under N₂ atmospheres revealed that Fe₂AlB₂ was more thermally stable when synthesized from lab-synthesized, instead of commercially available, FeB precursors and when the HCl treatment was avoided. The effects of the various factors on the decomposition temperature and decomposition mechanisms are discussed herein.     

Forging furnace with thermochemical waste-heat recuperation by natural gas reforming: Fuel saving and heat balance

This paper considers thermochemical recuperation (TCR) of waste-heat using natural gas reforming by steam and combustion products. Combustion products contain steam (H₂O), carbon dioxide (CO₂), and ballast nitrogen (N₂). Because endothermic chemical reactions take place, methane steam-dry reforming creates new synthetic fuel that contains valuable combustion components: hydrogen (H₂), carbon monoxide (CO), and unreformed methane (CH₄). There are several advantages to performing TCR in the industrial furnaces: high energy efficiency, high regeneration rate (rate of waste-heat recovery), and low emission of greenhouse gases (CO₂, NO_x). As will be shown, the use of TCR is significantly increasing the efficiency of industrial furnaces – it has been observed that TCR is capable of reducing fuel consumption by nearly 25%. Additionally, increased energy efficiency has a beneficial effect on the environment as it leads to a reduction in greenhouse gas emissions.     

Use of photodegradable inhibitors in UV-curable compositions to form polymeric 2D-structures by visible light

The process of two-wave photopolymerization of a UV-curable composition with an optically degrading inhibitor is considered. By numerical simulation, it is shown that in the composition layer uniformly exposed to UV-radiation, such systems allow getting segments with different conversion under the action of inhomogeneous visible light. Based on the data on the photopolymerization kinetics of the compositions from triethylene glycol dimethacrylate (TEGDMA) and bisphenol-A glycidyl dimethacrylate (bis-GMA) with the UV-initiator 2,2-dimethoxy-2-phenylacetophenone (DMPA), it was shown that 3,5-di-tert-butyl-o-benzoquinone (35Q) with N,N-dimethylaniline (DMA, “Aldrich”, 99%) can serve as an inhibitor that degrades under action of visible radiation. Combining inhomogeneous visible light generated with a conventional DLP-projector and uniform UV-radiation of LED (365 nm) the two-wave lithographic process was implemented to create polymeric 2D-structures in 20 μm layer of the compositions from TEGDMA (70)/bis-GMA (30)/DMPA (0.05 wt%)/35Q (0.5 wt%)/DMA (1 wt%).     

Facile synthesis of the desired red phosphor Li2Ca2Mg2Si2N6:Eu2+ for high CRI white LEDs and plant growth LED device

The red emission with suitable peak wavelength and narrow band is acutely required for high color rendering index (CRI) white LEDs without at the cost of the luminous efficacy. Herein, the Li₂Ca₂Mg₂Si₂N₆:Eu²⁺ red phosphor was prepared with facile solid-state method using Ca₃N₂, Mg₃N₂, Si₃N₄, Li₃N, and Eu₂O₃ as the safety raw materials under atmospheric pressure for the first time, which shows red emission peaking at 638 nm with full width at half maximum (FWHM) of 62 nm under blue light irradiation and becomes the desired red phosphor to realize the balance between luminous efficacy and high CRI in white LEDs. The morphology, structure, luminescence properties, thermal quenching behavior, and chromaticity stability of the Li₂Ca₂Mg₂Si₂N₆:Eu²⁺ phosphor are investigated in detail. Concentration quenching occurs when the Eu²⁺ content exceeds 1.0 mol%, whereas high-temperature photoluminescent measurements show a 32% drop from the room-temperature efficiency at 423 K. In view of the excellent luminescence performances of Li₂Ca₂Mg₂Si₂N₆:Eu²⁺ phosphor, a white LEDs with CRI of 91 as a proof-of-concept experiment was fabricated by coating the title phosphor with Y₃Al₅O₁₂:Ce³⁺ on a blue LED chip. In addition, the potential application of the title phosphor in plant growth LED device was also demonstrated. All the results indicate that Li₂Ca₂Mg₂Si₂N₆:Eu²⁺ is a promising red-emitting phosphor for blue LED-based high CRI white LEDs and plant growth lighting sources.     

Graphene oxide conversion into controllably carboxylated graphene layers via photoreduction process in the inert atmosphere

Abstract

The one-step method for graphene oxide (GO) simultaneous reduction and carboxylation via ultraviolet irradiation in the inert atmosphere has been reported. X-ray photoelectron spectroscopy (XPS) and X-ray absorption spectroscopy (XAS) data revealed that the proposed approach allows to obtain reduced graphene oxide (rGO) films, containing up to 10 at.% of carboxyl groups. The carboxyl groups concentration can be tuned within the range of 3 to 10 at.% by controlling the oxidation degree of the irradiated GO via the preliminary low-temperature air heating. Furthermore, no carboxylation effect is observed in the case of irradiation of the completely reduced GO films. This coincides with our previous results, validating the proposed model of GO carboxylation based on photoinduced conversion of basal-plane hydroxyl groups and ketones into carboxyl ones. Despite a different degree of carboxylation, all the obtained samples demonstrate almost complete elimination of basal plane groups and restoration of the graphene flakes aromatic structure. This fact is emphasized by the sheet resistance measurements, demonstrating that the obtained C-xy graphene exhibits high electrical conductivity. As a net result, the material obtained by the presented method shows promising applications in the manufacturing of biosensor transducers owing to both its conductive nature and presence of carboxyl groups, playing the role of the anchoring points for biomolecules.