This paper is the first to look at the structural, electronic, mechanical, optical, and thermodynamic properties of the ANiX (A=Sc, Ti, Y, Zr, Hf; X=Bi, Sn) half-Heusler (HH) using DFT based first principles method. The lattice parameters that we have calculated are very similar to those obtained in prior investigations with theoretical and experimental data. The positive phonon dispersion curve confirm the dynamical stability of ANiX (A=Sc, Ti, Y, Zr, Hf; X=Bi, Sn). The electronic band structure and DOS confirmed that the studied materials ANiX (A=Sc, Ti, Y, Zr, Hf; X=Bi, Sn) are direct band gap semiconductors. The investigation also determined significant constants, including dielectric function, absorption, conductivity, reflectivity, refractive index, and loss function. These optical observations unveiled our compounds potential utilization in various electronic and optoelectronic device applications. The elastic constants were used to fulfill the Born criteria, confirming the mechanical stability and ductility of the solids ANiX (A=Sc, Ti, Y, Zr, Hf; X=Bi, Sn). The calculated elastic modulus revealed that our studied compounds are elastically anisotropic. Moreover, ANiX (A=Sc, Ti, Y, Zr, Hf; X=Bi, Sn) has a very low minimum thermal conductivity (K-min), and a low Debye temperature (theta(D)), which indicating their appropriateness for utilization in thermal barrier coating (TBC) applications. The Helmholtz free energy (F), internal energy (E), entropy (S), and specific heat capacity (Cv) are determined by calculations derived from the phonon density of states.

Sharda Gupta, Pushpa Prasad, Amit Roy, MohammadMahtab Alam, Irfan Ahmed and Arindam Bit1,∗ 1 Department of Biomedical Engineering, National Institute of Technology, Raipur 492010, India 2 Columbia Institute of Pharmacy, Raipur, India 3 Department of Basic Medical Sciences, College of Applied Medical Sciences, King Khalid University, Abha 61421, Saudi Arabia 4 Department of Clinical Laboratory Sciences, College of Applied Medical Sciences, King Khalid University, Abha 61421, Saudi Arabia ∗ Author to whom any correspondence should be addressed.

An ideal wound dressing material should enhance the wound healing process and must avoid bacterial contamination. In this study, the synergistic effect of graphene oxide (GO), silver (Ag) and magnesium (Mg) based silk electrospun nanofibrous film on wound healing was evaluated. It reports the influence of essential elements Mg and Ag during the skin regeneration process. Silver and magnesium nanoparticles were doped in graphene oxide. The goal of the present study was to fabricate an electrospun nanofibrous patch with nanoscale fillers to improve the wound recuperation manner and decrease the recuperation time to forestall microorganism infections and improve cellular behavior. Doping was done to insert Ag+ and Mg2+ ions in the crystal lattice of GO to overcome the disadvantage of aggregation of Ag and Mg nanoparticles. In this study, Mg2+ and Ag+ ions doped GO functionalized silk fibroin/PVA dressing material was prepared using the electrospinning technique. It was found that, Mg-GO@NSF/PVA and Ag/Mg-GO@NSF/PVA film possess good cytocompatibility, low hemolytic effect and effective antibacterial and anti-biofilm activities. Furthermore, their improved hydrophilicity and mid-range water vapor transmission rate allow them to be a suitable wound dressing material. Tensile strength of the composite silk film were enhanced relatively to silk/PVA film. The effect of prepared film on wound repair were investigated in excision rat model. It indicates, the wound covered with Ag/Mg-GO@NSF/PVA film showed the highest wound contraction rate and re-epithelization, allowing faster repair of wound sites. In conclusion, the development of metallic ions doped GO based silk fibroin/PVA is a promising approach towards development of antibiotic free wound dressing material. It prevents anti-biofilm formation and also provides adequate therapeutic effects for accelerating wound healing.

IgE-dependent reactions mediate the majority of allergic diseases. This study explores the effects of thymoquinone (Tq) on IgE-mediated allergic response in activated mast cells, basophils, and neutrophils. Tq treatment resulted in a dose-dependent decrease in levels of TNF-α and IL-4 in activated RBL-2H3 cells. Tq inhibited the degranulation of these cells with an IC50 value of 56.37 µM. Moreover, the compound suppressed basophil activation induced through FcεRI receptors with an IC50 value of 45.76 µM in heparinized human whole blood. Likewise, neutrophil migration and elastase activity were dose-dependently reduced. While Tq decreased the phosphorylation of Akt and NFκB in activated RBL-2H3 cells, it increased nuclear Nrf2 and HO-1 antioxidant proteins. Our results indicate that Tq possesses demonstrable activity in cellular models of IgE-mediated allergic reactions. PRACTICAL APPLICATIONS: The current study sheds light on the mechanistic pathways of Tq on IgE-based response in activated mast cells, basophils, and neutrophils. The output of this preclinical in vitro study may be translated into better chemotherapeutic applications of Tq and its analogs in the treatment of allergic inflammation. However, a detailed investigation of in vivo models is recommended.

In this study, we report the combination of indirubin-3-monoxime (I3M) and thymoquinone (Tq) to have excellent therapeutic efficacy in models of Lung cancer (LC). Preliminary screening was done with A549 cells. Cell cycle, apoptosis and NFκB phosphorylation were determined by flow cytometry, while apoptotic proteins, Akt and mTOR were assessed by western blotting. Mouse xenograft model was used to assess the therapeutic efficacy in-vivo. Synergistic reduction in cell viability was observed with I3M + Tq combinations, which were non-toxic to normal HFL-1 cells. Cell cycle analysis indicated G1 phase reduction with subsequent accumulation of sub G0 contents. Annexin V assay revealed higher apoptotic cells with combinations compared to individual treatments with a decrease in Bcl-2/Bax ratio. The combinations exhibited anti-metastasis activity in cell migration in the scratch, scatter and tumour cell migration assays and effectively reduced the tumour growth in mouse xenograft model. Expression levels of p-AKT, p-mTOR, Caspase-3, p-53 and NFκB were significantly reduced in the combination treated mice compared to individual treatments. Results of current study demonstrate clear efficacy of I3M + Tq combinations in LC models mediated by suppressing Akt/mTOR/NFκB signalling. Further research is recommended to transform these findings into novel therapeutic combinations against LC.

BACKGROUND Recent studies indicate hyperuricemia as an aggravating factor for kidney diseases progression. Basic research for novel agents to reduce hyperuricemia and kidney abnormalities will be highly rewarding. Herein, we report Thymoquinone (Tq) as an active constituent of Nigella sativa to have renal protective effective against oxonic acid (OA)-induced hyperuricemia, hypertension, and renal oxidative stress in rat models. METHODS OA 750 mg/kg BW for 12 weeks was used to induce uricemia in Sprague dawley rats. Tq at 10 and 20 mg/kg BW were administered along with OA for treatment groups. Plasma uric acid concentration and systolic blood pressure were measured. Oxidative stress markers, total ATP content, and membrane bound ATPases were measured in renal mitochondria. Anti-oxidant enzymes were analyzed in the renal tissues. Apoptosis in renal tissue was detected. Key signaling proteins for apoptosis, oxidative stress, and lipid oxidation pathways were determined. RESULTS OA induced both circulating uric acid levels and hypertension in the control group which was brought down on Tq treatments. Tq effectively prevented accumulation of uric acid and oxidative stress in the renal tissues. Tq also proved to increase the total ATP content of the renal mitochondria and prevented the apoptosis induced by OA. Tq increased the expressions of phosphorylated Akt, Nrf2, and HO-1 proteins while decreasing the levels of cleaved caspase-3 in renal cells. CONCLUSION In summary, Tq exhibited protective effects on hyperuricemia-mediated renal oxidative stress and mitochondrial abnormalities which could be mediated by Nrf2/HO-1, Akt signaling pathways.