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Grant Wu posted an update 15 hours, 34 minutes ago
Taken together, the present results would provide a rational basis for future development of the dual directing group-mediated C-H activation reactions.Plant-derived nanoparticles (PDNPs) are naturally occurring exosome-like nanovesicles derived from dietary plants containing key plant bioactives. Ginger-derived PDNPs have a therapeutic effect on alcohol-induced liver injury, inflammatory bowel disease, and colon cancer. PDNPs are conventionally purified by differential ultracentrifugation, a technique not amenable for scale up. We have recently developed a polyethylene glycol (PEG) 6000-based method for cost-effective purification of ginger PDNPs, with comparable efficiency to differential ultracentrifugation (Sci. Rep. 2020, 10 (1), 4456.). Herein, we report a 4-5-fold higher ginger PDNP recovery when PEG precipitation was carried out in low pH conditions (pH 4 and 5). Low pH-derived ginger PDNPs were smaller in size without an overt change in zeta potential. The spontaneous intracellular entry and protection against oxidative stress in A431 cells were similar between ginger PDNPs purified under low, neutral, and alkaline pH. Low-pH purified ginger PDNPs had higher levels of total polyphenolic content compared to PDNPs purified under neutral and alkaline pH. Recently, ginger PDNP-derived microRNAs have been shown to exhibit cross-kingdom regulation by targeting human, gut microbiome, and viral transcripts. Using qRT-PCR, we also verified the presence of miRNAs that were predicted to target SARS-CoV-2 in ginger PDNPs purified under low pH. Thus, we have developed a method to purify ginger PDNPs in high yields by using low-pH conditions without affecting the major bioactive contents of PDNPs.Selenosugars are interesting targets of organic synthesis as they would possess potential biological activities. However, 4-selenotherofuranose derivatives, which have trans configuration for the two dihydroxy substituents at the 2,3-positions and a glycoside bond at the anomeric position, are not available in the current selenosugar library. In this study, racemic 4-selenothreofuranose derivatives were synthesized from trans-3,4-dioxygenated tetrahydroselenophenes in 77-99% yields with the α/β selectivity about 73 via oxidation and subsequent seleno-Pummerer rearrangement. The acetoxy group introduced at the anomeric position was then substituted with various nucleophiles, including activated 6-chloropurine, which afforded 4′-selenothreonucleoside derivatives, in the presence of BF3·OEt2 or TMSOTf. The stereochemistry of the selenosugar products was established by 1H NMR spectroscopy as well as X-ray analysis. The similar α/β selectivity observed in the latter glycosylation reaction to that in the former seleno-Pummerer rearrangement suggested the mediation of a common selenonium intermediate (-Se+=C less then ). It was also suggested that an unexpected interaction between the ester protecting group at the 3-position of the selenofuranose ring and the anomeric carbon atom decreases the α/β selectivity.The interactions between proteins and ligands are involved in various biological functions. While experimental structures provide key static structural information of ligand-unbound and ligand-bound proteins, dynamic information is often insufficient for understanding the detailed mechanism of protein-ligand binding. Here, we studied the conformational changes of the tankyrase 2 binding pocket upon ligand binding using molecular dynamics simulations of the ligand-unbound and ligand-bound proteins. The ligand-binding pocket has two subsites the nicotinamide and adenosine subsite. Comparative analysis of these molecular dynamics trajectories revealed that the conformational change of the ligand-binding pocket was characterized by four distinct conformations of the ligand-binding pocket. Two of the four conformations were observed only in molecular dynamics simulations. We found that the pocket conformational change on ligand binding was based on the connection between the nicotinamide and adenosine subsites that are located adjacently in the pocket. From the analysis, we proposed the protein-ligand binding mechanism of tankyrase 2. Finally, we discussed the computational prediction of the ligand binding pose using the tankyrase 2 structures obtained from the molecular dynamics simulations.In the process of sulfuric acid curing-leaching vanadium-bearing stone coal, the curing effect is very important. The main purpose of this study is to capture the difference in the curing effect between coarse and fine stone coal, with a V2O5 content of 0.88%. In this work, the effects of various factors such as sulfuric acid concentration, curing time, curing temperature, and different agents for curing on the leaching efficiency of vanadium were investigated by the comparison of the two size fractions. The results showed that the leaching efficiency of vanadium was 87.65% under the optimum curing conditions of 25 wt % sulfuric acid, curing time of 8 h, and curing temperature of 130 °C. It was clearly found that, under the same curing condition, the curing effect of fine stone coal was better than that of coarse stone coal. The penetration part of stone coal particles by sulfuric acid was loose, while the non-penetration part was dense after acid curing. Moreover, the penetration depth of sulfuric acid into the particles was mainly 0.5-0.7 mm on average. There was more sericite/illite in coarse leaching residues, which were mostly dense and hard carbonaceous siliceous slate. Thus, sulfuric acid was difficult to penetrate into and reach the interior of the particle, which resulted in that the leaching efficiency of coarse vanadium-bearing stone coal ore was lower than that of fine vanadium-bearing stone coal ore.Exploring the tightness mechanism through a quantitative analysis of the pore evolution process is the research hotspot of tight oil reservoirs. The physical characteristics of Chang 6 (Ch-6) sandstones in the western Jiyuan area have the typical features of a tight oil reservoir. Based on the reservoir physical property, lithological characteristics, diagenetic types and sequence, and burial and thermal evolution history, this study analyzes the factors leading to reservoir tightness and establishes the model of the pore evolution process. The results show that the sedimentary microfacies type controls the reservoir detrital material and further affects its physical properties. The high content of feldspar and rock fragments and the fine grain size are the material cause for the reservoir tightness. Quarfloxin DNA inhibitor The sandstones of the main underwater distributary channel are the dominant sedimentary bodies for the development of a high-quality reservoir. In terms of diagenesis, compaction is the primary cause for reservoir tightness, and the porosity reduction by cementation is weaker than that by compaction.