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.     

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.     

Development of a novel device for applying uniform doses of electron beam irradiation on carcasses

The Maxim's Electron Scatter Chamber (Maxim Chamber) was developed to obtain uniform dose distribution when applying electron beam (e-beam) irradiation to materials of irregular surface. This was achieved by placing a stainless steel mesh surrounding a cylindrical area where the target sample was placed. Upon contact with the mesh, electrons scatter and are directed onto the target from multiple angles, eliminating the e-beam linearity and resulting in a uniform dose distribution over the target surface. The effect of irradiation in the Maxim Chamber on dose distribution and pathogen reduction was tested on rabbit carcasses to simulate other larger carcasses. The dose uniformity ratio (DUR) on the rabbit carcasses was 1.8, indicating an acceptable dose distribution. On inoculated carcasses, this treatment reduced Escherichia coli O157:H7 by > 5 log cycles. These results indicate that carcass irradiation using e-beam is feasible using the Maxim's electron scattering chamber. Appropriate adjustments will be further needed for commercial application on beef and other animal carcasses.     

Simulation study on acoustic streaming and convective cooling in blood vessels during a high-intensity focused ultrasound thermal ablation

This study investigates the influence of blood vessels on temperature distribution during high-intensity focused ultrasound (HIFU) ablation of liver tumors. A three-dimensional acoustics-thermal-fluid coupling model is simulated to compute the temperature field in the hepatic cancerous region. The model is based on the linear Westervelt and bioheat equations as well as the non-linear Navier–Stokes equations for the liver parenchyma and blood vessels. The effect of acoustic streaming is also taken into account in the present HIFU simulation study. We found from this three-dimensional coupling study that in large blood vessel both the convective cooling and acoustic streaming can significantly change the temperature field and thermal lesion near blood vessels.     

Microwave Sol–Gel Synthesis of CaGd2(MoO4)4:Er3+/Yb3+ Phosphors and Their Upconversion Photoluminescence Properties

CaGd₂(MoO₄)₄:Er³⁺/Yb³⁺ phosphors with the doping concentrations of Er³⁺ and Yb³⁺ (x = Er³⁺ + Yb³⁺, Er³⁺ = 0.05, 0.1, 0.2, and Yb³⁺ = 0.2, 0.45) have been successfully synthesized by the microwave sol–gel method, and the crystal structure refinement and upconversion photoluminescence properties have been investigated. The synthesized particles, being formed after heat‐treatment at 900°C for 16 h, showed a well‐crystallized morphology. Under the excitation at 980 nm, CaGd₂(MoO₄)₄:Er³⁺/Yb³⁺ particles exhibited strong 525 and 550‐nm emission bands in the green region and a weak 655‐nm emission band in the red region. The Raman spectrum of undoped CaGd₂(MoO₄)₄ revealed about 15 narrow lines. The strongest band observed at 903 cm^?1 was assigned to the ν₁ symmetric stretching vibration of MoO₄ tetrahedrons. The spectra of the samples doped with Er and Yb obtained under 514.5 nm excitation were dominated by Er³⁺ luminescence preventing the recording Raman spectra of these samples. Concentration quenching of the erbium luminescence at ²H_11/2→⁴I_15/2 and ⁴S_3/2→⁴I_15/2 transitions in the CaGd₂(MoO₄)₄:Er³⁺/Yb³⁺ crystal structure was established to be approximately at the 10 at.% doping level.     

Investigation of Chemical Constituents of Eranthis longistipitata (Ranunculaceae): Coumarins and Furochromones

Aqueous-ethanol extracts (70%) from the leaves of Eranthis longistipitata Regel. (Ranunculaceae Juss.)—collected from natural populations of Kyrgyzstan—were studied by liquid chromatography with high-resolution mass spectrometry (LC-HRMS). There was no variation of the metabolic profiles among plants that were collected from different populations. More than 160 compounds were found in the leaves, of which 72 were identified to the class level and 58 to the individual-compound level. The class of flavonoids proved to be the most widely represented (19 compounds), including six aglycones [quercetin, kaempferol, aromadendrin, 6-methoxytaxifolin, phloretin, and (+)-catechin] and mono- and diglycosides (the other 13 compounds). In the analyzed samples of E. longistipitata, 14 fatty acid–related compounds were identified, but coumarins and furochromones that were found in E. longistipitata were the most interesting result; furochromones khelloside, khellin, visnagin, and cimifugin were found in E. longistipitata for the first time. Coumarins 5,7-dihydroxy-4-methylcoumarin, scoparone, fraxetin, and luvangetin and furochromones methoxsalen, 5-O-methylvisammioside, and visamminol-3′-O-glucoside were detected for the first time in the genus Eranthis Salisb. For all the above compounds, the structural formulas are given. Furthermore, detailed information (with structural formulas) is provided on the diversity of chromones and furochromones in other representatives of Eranthis. The presence of chromones in plants of the genus Eranthis confirms its closeness to the genus Actaea L. because chromones are synthesized by normal physiological processes only in these members of the Ranunculaceae family.     

AICAR Protects Vascular Endothelial Cells from Oxidative Injury Induced by the Long-Term Palmitate Excess

Hyperlipidemia manifested by high blood levels of free fatty acids (FFA) and lipoprotein triglycerides is critical for the progression of type 2 diabetes (T2D) and its cardiovascular complications via vascular endothelial dysfunction. However, attempts to assess high FFA effects in endothelial culture often result in early cell apoptosis that poorly recapitulates a much slower pace of vascular deterioration in vivo and does not provide for the longer-term studies of endothelial lipotoxicity in vitro. Here, we report that palmitate (PA), a typical FFA, does not impair, by itself, endothelial barrier and insulin signaling in human umbilical vein endothelial cells (HUVEC), but increases NO release, reactive oxygen species (ROS) generation, and protein labeling by malondialdehyde (MDA) hallmarking oxidative stress and increased lipid peroxidation. This PA-induced stress eventually resulted in the loss of cell viability coincident with loss of insulin signaling. Supplementation with 5-aminoimidazole-4-carboxamide-riboside (AICAR) increased endothelial AMP-activated protein kinase (AMPK) activity, supported insulin signaling, and prevented the PA-induced increases in NO, ROS, and MDA, thus allowing to maintain HUVEC viability and barrier, and providing the means to study the long-term effects of high FFA levels in endothelial cultures. An upgraded cell-based model reproduces FFA-induced insulin resistance by demonstrating decreased NO production by vascular endothelium.     

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.