The superior catalytic activity of the CuMgAl-I sample is attributed to the synergistic effect between the physicochemical properties of the catalysts and ultrasonic irradiation. The HRTEM analysis of the used CuMgAl-I catalyst revealed the evidence for the cavitation collapse, which causes localized deformation and surface erosion. Moreover, the synthesized catalysts also exhibited robust sustainable activity that resisted deactivation over repeated usage. The present example of ultrasonic-assisted catalyzed organic synthesis represents a novel strategy for the solvent-free green synthesis of nitro-alcohols by the Henry reaction with 100% atom economy. Copyright © 2020 American Chemical Society.Mallotus repandus (M. repandus) is traditionally used to treat muscle pain, itching, fever, rheumatic arthritis, and a variety of liver disorders. The aim of the present work was to evaluate the hepatoprotective activity and the antioxidant potential of the ethyl acetate stem extract of M. repandus (ESMR) against d-galactosamine (d-GalN)-induced hepatopathy, along with a possible mechanism of action in rats. In vivo hepatoprotective activity of ESMR was examined using d-galactosamine (d-GalN)-induced hepatotoxicity in Sprague-Dawley rats. For this purpose, levels of serum diagnostic markers, activity of hepatic antioxidant enzymes, and liver histo-architecture were employed to assess the protective efficacy of ESMR. Furthermore, the total phenolic, flavonoid, and tannin contents were quantitated, and the antioxidant capacity of the extract was evaluated using different methods such as 2,2'-diphenyl-1-picrylhydrazyl (DPPH), nitric oxide (NO), hydrogen peroxide (H2O2), and hydroxyl radical (OH•) scavenging assaibited free radicals with IC50 values of 94.47 ± 0.51, 127.33 ± 0.36, 164.12 ± 0.45, and 254.14 ± 0.35 μg/mL in DPPH, NO, H2O2, and OH• free radical scavenging assays, respectively. These findings highlight the protective role of ESMR against hepatic injury induced by d-GalN, which may be attributed to its higher antioxidant properties, thereby scientifically justifying its traditional use. Copyright © 2020 American Chemical Society.It is highly desirable to design high-efficiency stable and low-price catalysts in the electrocatalysis field. Herein, we reported a cobalt phosphide (Co2P)-loaded reduced graphene oxide (rGO) composite catalyst (rGO/Co2P) prepared via the convenient hydrothermal and H2 reduction methods. The rGO/Co2P catalyst reduced at 800 °C (rGO/Co2P-800) shows superior electrocatalytic activities for hydrogen evolution reaction and oxygen evolution reaction in 1.0 M KOH solution, achieving an overpotential of 134 and 378 mV, respectively, at a current density of 10 mA cm-2. Moreover, the catalyst can not only maintain stability for a long time in alkaline solution but also in acid media because of the protection of the rGO layers. The superior performance of this catalyst is attributed to the synergy between the carbon layer and transition-metal phosphides. The Co2P nanoparticles have a high degree of dispersion, which prevents agglomeration, thereby exposing more active sites. Moreover, rGO protects the exposed metal particles while providing more electroconductivity to the material. This work provides an efficient route for the development of bifunctional electrocatalysts with excellent performance and stability, which provides new ideas toward overall water splitting. Copyright © 2020 American Chemical Society.According to the WHO, artemisinin-based combination therapies (ACTs) have been integral to the recent reduction in deaths due to Plasmodium falciparum malaria. ACT-resistant strains are an emerging problem and have evolved altered developmental stages, reducing exposure of the most susceptible stages to artemisinin drugs in popular ACTs. Lipophilicity, log K ow, is a guide in understanding and predicting pharmacokinetic properties such as terminal half-life which alters drug exposure. Consistent log K ow values are not necessarily available for artemisinin derivatives designed to extend terminal half-life, increase bioavailability, and reduce neurotoxicity. For other drugs used in ACTs, an assortment of experimental and computational log K ow values are available in the literature and in some cases, do not account for subtle but important differences between closely related structures such as between diastereomers. Quantum chemical methods such as density functional theory (DFT) used with an implicit solvent thalpy and entropy results in correct prediction that α-DHA is favored in aqueous environments compared to β-DHA. https://www.selleckchem.com/products/mitoquinone-mesylate.html Predictions made regarding experimental drugs have implications regarding their potential use in response to artemisinin drug-resistant strains. Copyright © 2020 American Chemical Society.A new melatonin sulfonate derivative sodium 4-(3-(2-acetamidoethyl)-5-methoxy-1H-indol-1-yl) butane-1-sulfonate (MLTBS) with higher water solubility (695 times) and lower cytotoxicity than natural melatonin (MLT) was synthesized, yet with the same sleep aid function. The poor solubility of MLT in water has been improved with a simple chemical reaction, which solves the poor solubility of melatonin in water, overcoming the safety problem caused by adding organic reagents such as dimethyl sulfoxide (DMSO) and ethanol to increase the solubility. Moreover, the modified MLT still has the same sleep aid effect as the natural MLT and higher biological safety. As a novel potential drug for sleep aid, the new MLT derivative could also flourish the application and research of this molecule in medicine and biology. Copyright © 2020 American Chemical Society.Engineering proteins to enhance thermal stability is a widely utilized approach for creating industrially relevant biocatalysts. The development of new experimental datasets and computational tools to guide these engineering efforts remains an active area of research. Thus, to complement the previously reported measures of T 50 and kinetic constants, we are reporting an expansion of our previously published dataset of mutants for β-glucosidase to include both measures of T M and ΔΔG. For a set of 51 mutants, we found that T 50 and T M are moderately correlated, with a Pearson correlation coefficient and Spearman's rank coefficient of 0.58 and 0.47, respectively, indicating that the two methods capture different physical features. The performance of predicted stability using nine computational tools was also evaluated on the dataset of 51 mutants, none of which are found to be strong predictors of the observed changes in T 50, T M, or ΔΔG. Furthermore, the ability of the nine algorithms to predict the production of isolatable soluble protein was examined, which revealed that Rosetta ΔΔG, FoldX, DeepDDG, PoPMuSiC, and SDM were capable of predicting if a mutant could be produced and isolated as a soluble protein.