Nanostructured MnO /g-CN for photodegradation of sulfamethoxazole under visible light irradiation.

The effectiveness of g-CN as photocatalyst is hindered by the rapid recombination of photo-generated electron/hole pairs. To improve its photocatalytic performance, the incorporation of g-CN with co-catalysts can promote charge separation efficiency and enhance redox capabilities. In our study, a two-step approach involving calcination and solvothermal method was utilized to fabricate a proficient MnO /g-CN heterojunction photocatalyst with high photocatalytic activity.

MedChemExpress compounds prevent neuraminidase N1 physics- and knowledge-based methods.

Influenza A viruses spread out worldwide, causing several global concerns. Hence, discovering neuraminidase inhibitors to prevent the influenza A virus is of great interest. In this work, a machine learning model was employed to evaluate the ligand-binding affinity of 10 000 compounds from the MedChemExpress (MCE) database for inhibiting neuraminidase.

Alchemical approach performance in calculating the ligand-binding free energy.

Alchemical binding free energy calculations are one of the most accurate methods for estimating ligand-binding affinity. Assessing the accuracy of the approach over protein targets is one of the most interesting issues. The free energy difference of binding between a protein and a ligand was calculated the alchemical approach.

Silver nanoparticles alter the dimerization of Aβ studied by REMD simulations.

The aggregation of amyloid beta (Aβ) peptides is associated with the development of Alzheimer's disease (AD). However, there has been a growing belief that the oligomerization of Aβ species in different environments has a neurotoxic effect on the patient's brain, causing damage. It is necessary to comprehend the compositions of Aβ oligomers in order to develop medications that may effectively inhibit these neurotoxic forms that affect the nervous system of AD patients.

The effect of MnCO on the gain coefficient for the I → I transition of Er ions and near-infrared emission bandwidth flatness of Er/Tm/Yb co-doped barium zinc silicate glasses.

The roles of Mn ions in the MnCO compound, leading to the formation of an Mn-Yb dimer and affecting the gain coefficient for the I → I transition of Er ions and near-infrared (NIR) emission bandwidth flatness of Er/Tm/Yb co-doped in SiO-ZnO-BaO (SZB) barium zinc silicate glasses, were investigated in this work. The composition of all elements from the original raw materials that exist in the host glasses was determined using energy-dispersive X-ray spectroscopy (EDS). Under the excitation of a 980 nm laser diode (LD), the NIR emission of Er/Tm/Yb-co-doped SZB glasses produced a bandwidth of about 430 nm covering the O, E, and C bands.

Developing mango powders by foam mat drying technology.

Using mango purée from overripe mangoes to produce powders helped to solve agricultural product stagnation. The research investigates the effect of thickening additives, convection drying, and heat pump drying on bioactive compounds such as total phenolic content (TPC), total flavonoid content (TFC), color, and solubility of the final product. The obtained results showed that the mixture (gum arabic and maltodextrin in the ratio 50:50 w/w) at a concentration of 15% gave a good quality powder texture when dried by hot air convection at 55°C with TPC (21.

Fabrication of binary g-CN/UU-200 composites with enhanced visible-light-driven photocatalytic performance toward organic pollutant eliminations.

In this study, g-CN/UU-200 heterojunction photocatalysts displaying superior photocatalytic activity for organic pollutant elimination under white LED light irradiation were fabricated an solvothermal method. The successful construction of a heterojunction between g-CN and UU-200 was evidenced by X-ray diffraction, Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy, scanning electron microscopy, and transmission electron microscopy. The improved photocatalytic degradation of rhodamine B (RhB) and tetracycline hydrochloride (TCH) over g-CN/UU-200 compared with that over the individual components can be attributed to the anchoring of the g-CN layered structure on the UU-200 surface promoting the decrease of the bandgap of UU-200, as confirmed by ultraviolet-visible diffuse reflectance spectroscopy, and to the light-induced charge separation efficiency stemming from a suitable heterojunction structure, which was revealed by photoluminescence spectroscopy and electrochemical analyses.

Synthesis of a UiO-66/g-CN composite using terephthalic acid obtained from waste plastic for the photocatalytic degradation of the chemical warfare agent simulant, methyl paraoxon.

In our study, Zr-based UiO-66 (Zr) was synthesized using terephthalic acid obtained from waste plastic. Thereafter, UiO-66/g-CN composites were prepared by the solvothermal method, and their photocatalytic activity in the photodegradation of the chemical warfare agent simulant, dimethyl 4-nitrophenyl phosphate (DMNP), was evaluated. The as-synthesized UiO-66/g-CN exhibited a high surface area (1440 m g) and a high capillary volume (1.

Co-precipitation polymerization of dual functional monomers and polystyrene--divinylbenzene for ciprofloxacin imprinted polymer preparation.

Novel ciprofloxacin composite imprinted materials are synthesized by using co-precipitation polymerization of dual functional monomers (methacrylic acid and 2-vinylpyridine) and polystyrene--divinylbenzene. The intermolecular interactions between monomers and template are evaluated by molecular modeling analysis. The physicochemical properties of the obtained polymers are characterized using FT-IR, TGA, and SEM.

Computational estimation of potential inhibitors from known drugs against the main protease of SARS-CoV-2.

The coronavirus disease (COVID-19) pandemic caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has rapidly spread worldwide recently, leading to global social and economic disruption. Although the emergently approved vaccine programs against SARS-CoV-2 have been rolled out globally, the number of COVID-19 daily cases and deaths has remained significantly high. Here, we attempt to computationally screen for possible medications for COVID-19 rapidly estimating the highly potential inhibitors from an FDA-approved drug database against the main protease (Mpro) of SARS-CoV-2.

Study of jelly drying cashew apples (.) processing.

Cashew apples, a by-product accrued during the manufacture of cashew nuts, have abundant nutritional values but are not widely utilized due to the presence of substances that cause acrid taste. In this study, we attempted the production of a dried jelly cashew apple product and optimized three main processing stages including blanching, osmotic, and drying. The results showed suitable conditions at 6 mm thickness in the blanching process.

Microencapsulation of roselle ( L.) anthocyanins: Effects of drying conditions on some physicochemical properties and antioxidant activities of spray-dried powder.

Anthocyanins are important phytochemical compounds in nature that are of interest not only for their health benefits such as antioxidant, anti-inflammatory, and anti-carcinogenic properties, but also for their role in imparting attractive and characteristic color to food products. In this study, anthocyanins from hibiscus ( L.) calyces were microencapsulated by spray-drying technique using maltodextrin as the carrier.

Lipid composition and molecular species of phospholipid in oyster (Sowerby, 1871) from Lang Co Beach, Hue Province, Vietnam.

Oysters are widely distributed worldwide, but are mainly concentrated in tropics and subtropics. Total lipid (TL), fatty acid (FA) composition of TL and polar lipid (PoL) fractions, phospholipid (PL) class, and molecular species composition in soft tissues of Crassostrea lugubris were investigated for the first time from Vietnam. Phosphatidylglycolic acid (PGA) is the new phospholipid class first identified in marine species in general and Crassostrea lugubris in particular.

Modified compact fluorescent lamps improve light-induced off-season floral stimulation in dragon fruit farming.

Efficient light-induced floral stimulation plays a key role in energy conservation and maintaining stable productivity during off-season periods of dragon fruit plants. In this study, we first reported on results of a survey on dragon fruit farmers regarding use of lamps in performing artificially induced flowering process in Vietnam. It was found that the use of incandescent lamp was prevalent in dragon fruit cultivation practices, resulting in heavy electricity consumption, and that low-power compact fluorescent light (CFL) bulbs were not extensively utilized, possibly due to low floral induction performance of domestic CFL bulbs.

Binding of inhibitors to the monomeric and dimeric SARS-CoV-2 Mpro.

SARS-CoV-2 rapidly infects millions of people worldwide since December 2019. There is still no effective treatment for the virus, resulting in the death of more than one million patients. Inhibiting the activity of SARS-CoV-2 main protease (Mpro), 3C-like protease (3CLP), is able to block the viral replication and proliferation.

Rapid prediction of possible inhibitors for SARS-CoV-2 main protease using docking and FPL simulations.

Originating for the first time in Wuhan, China, the outbreak of SARS-CoV-2 has caused a serious global health issue. An effective treatment for SARS-CoV-2 is still unavailable. Therefore, in this study, we have tried to predict a list of potential inhibitors for SARS-CoV-2 main protease (Mpro) using a combination of molecular docking and fast pulling of ligand (FPL) simulations.

Effects of drying conditions in low-temperature microwave-assisted drying on bioactive compounds and antioxidant activity of dehydrated bitter melon ( L.).

Bitter melon ( L.) is a fruit that brings health benefits to consumers because the fruit is rich in bioactive compounds. In this work, a combination of low-temperature convective drying and microwave radiation was used to dehydrate sliced bitter melon.

First-principles prediction of chemically functionalized InN monolayers: electronic and optical properties.

In this work, we consider the electronic and optical properties of chemically functionalized InN monolayers with F and Cl atoms (, F-InN-F, F-InN-Cl, Cl-InN-F, Cl-InN-Cl monolayers) using first-principles calculations. The adsorption of the F and Cl atoms on the InN monolayer is determined to be chemically stable and the F-InN-F monolayer is most likely to occur. Our calculations show that the chemical functionalization with Cl and F atoms not only breaks the planar structure of InN monolayer but also increases its band gap.

Effects of electric field and strain engineering on the electronic properties, band alignment and enhanced optical properties of ZnO/Janus ZrSSe heterostructures.

The formation of van der Waals heterostructures (vdWHs) have recently emerged as promising structures to make a variety of novel nanoelectronic and optoelectronic devices. Here, in this work, we investigate the structural, electronic and optical features of ZnO/ZrSSe vdWHs for different stacking patterns of ZnO/SeZrS and ZnO/SZrSe by employing first-principles calculations. Binding energy and molecular dynamics calculations are also employed to confirm the structural and thermal stability of the ZnO/ZrSSe vdWHs for both models.

Computational insights into structural, electronic and optical characteristics of GeC/CN van der Waals heterostructures: effects of strain engineering and electric field.

Vertical heterostructures from two or more than two two-dimensional materials are recently considered as an effective tool for tuning the electronic properties of materials and for designing future high-performance nanodevices. Here, using first principles calculations, we propose a GeC/CN van der Waals heterostructure and investigate its electronic and optical properties. We demonstrate that the intrinsic electronic properties of both GeC and CN monolayers are quite preserved in GeC/CN HTS owing to the weak forces.

Effects of microwave blanching conditions on the quality of green asparagus ( L.) butt segment.

Blanching is a pretreatment method that is often applied in fruit and vegetable processing to inhibit enzyme activity and reduce loss of food quality. It was recently discovered that well-controlled microwave volumetric heating could improve the blanching efficiency and retain nutritional and sensorial values of product. This study was conducted to investigate effects of microwave blanching conditions on the quality of green asparagus ( L.