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991.
Shukun Wei Xiaoyou Hu Lingyu Du Linlin Zhao Hongjuan Xue Chaolun Liu James J. Chou Jin Zhong Yimin Tong Shuqing Wang Bo OuYang 《Molecules (Basel, Switzerland)》2021,26(5)
Hepatitis C Virus (HCV) is the key cause of chronic and severe liver diseases. The recent direct-acting antiviral agents have shown the clinical success on HCV-related diseases, but the rapid HCV mutations of the virus highlight the sustaining necessity to develop new drugs. p7, the viroporin protein from HCV, has been sought after as a potential anti-HCV drug target. Several classes of compounds, such as amantadine and rimantadine have been testified for p7 inhibition. However, the efficacies of these compounds are not high. Here, we screened some novel p7 inhibitors with amantadine scaffold for the inhibitor development. The dissociation constant (Kd) of 42 ARD-series compounds were determined by nuclear magnetic resonance (NMR) titrations. The efficacies of the two best inhibitors, ARD87 and ARD112, were further confirmed using viral production assay. The binding mode analysis and binding stability for the strongest inhibitor were deciphered by molecular dynamics (MD) simulation. These ARD-series compounds together with 49 previously published compounds were further analyzed by molecular docking. Key pharmacophores were identified among the structure-similar compounds. Our studies suggest that different functional groups are highly correlated with the efficacy for inhibiting p7 of HCV, in which hydrophobic interactions are the dominant forces for the inhibition potency. Our findings provide guiding principles for designing higher affinity inhibitors of p7 as potential anti-HCV drug candidates. 相似文献
992.
Sulfur hexafluoride (SF6) is considered as a potent greenhouse gas, whose effective degradation is challenging. Here we report a computational study on the nucleophilic activation of sulfur hexafluoride by N-heterocyclic carbenes and N-heterocyclic olefins. The result shows that the activation of SF6 is both thermodynamically and kinetically favorable at mild condition using NHOs with fluoro-substituted azolium and sulfur pentafluoride anion being formed. The Gibbs free energy barrier during the activation of SF6 has a linear relationship with the energy of HOMO of substrates, which could be a guideline for applying those compounds that feature higher energy in HOMO to activate SF6 in high efficiency. 相似文献
993.
Yuwei Wang Jia-Jun Yan Shengnan Hu Prof. David James Young Prof. Hong-Xi Li Prof. Zhi-Gang Ren 《化学:亚洲杂志》2021,16(18):2681-2686
A photoluminescent bimetallic cluster [Ag10Cu6(bdppthi)2(C≡CPh)12(MeOH)2(H2O)](ClO4)4 ( 1 , bdppthi=N,N’-bis(diphenylphosphanylmethyl)-tetrahydroimidazole} was synthesized from the PNNP type ligand bdppthi generated in-situ. Upon excitation at 365 nm, 1 exhibited strong phosphorescent emission at 630 nm, which was selectively quenched by NH3 in air or water. The sensing of NH3 was rapid and recoverable, with detection limits of 53 ppm (v/v) in N2 and 21 μmol/L (0.36 ppm, w/w) for NH3 ⋅ H2O in water. Cluster 1 could potentially serve as a bifunctional chemical sensor for the efficient detection of ammonia in waste-gas and waste-water. 相似文献
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This article presents a unique example dealing with how chemical reactions between immiscible polymers in the melt behave differently than they would do in solution. Specifically, a model reaction was chosen: the transesterification between poly(ethylene-co-methyl acrylate) (EMA) and polystyrene mono-hydroxylated at the chain end (PSOH). It was carried out in the melt in a batch mixer. The overall rate of this reaction has a similar dependence of temperature, composition of reactants, and the nature and concentration of catalyst as in solution. The reactivity of PSOH decreases drastically with increasing molecular weight, and it becomes very weak when the molecular weight exceeds 8000 g/mol. As opposed to a reaction in solution or in a homogeneous melt, mechanical mixing increases the reaction rate since it generates interfacial area and reduces the diffusion length. The EMA-g-PS graft copolymer formed at the interfaces reduces the interfacial tension, and increases the miscibility of the reaction mixture. However, its occupation of the interfaces reduces contact between the reactive moieties, thus decreasing the overall reactivity. More importantly and much to our surprise, adding 1 to 2 wt % of an inert solvent increased greatly the overall reaction rate. While an increased interfacial mixing and diffusion by the presence of minor amounts of solvent are thought to be the major factors contributing to the drastic increase in reactivity, numerous questions still remain. Nevertheless, this study clearly showed that as opposed to a reaction in solution, mechanical mixing and the presence of minor amounts of solvent are two additional and critical means to control chemical reactions between immiscible polymer melts. © 1995 John Wiley & Sons, Inc. 相似文献
996.
A new flow injection-kinetic method has been developed for the determination of trace amount of osmium(WI), based on its catalytic effect on the bromopyrogallol red and hydrogen peroxide reaction. The reaction is followed spectrophotometrically by measuring the decrease in absorbance at 559 nm. The calibration graph for osmium(VIII) is linear over the range from 0.0040 to 0.10 μg/ml and the detection limit and sampling frequency are 0.0030 μg/ml and 47 per hour, respectively. The proposed method was applied to the determination of trace amounts of osmium in refined ores and chlorination residues with satisfactory results. 相似文献
997.
C-peptide radioimmunoassay (C-peptide RIA) is widely used in determination of pancreatic B-cell secretion activity.125I labeled TyrC-peptide is indispensable in C-peptide RIA kit. Herein we discuss a way of obtaining recombinant Tyr-C-peptide.
Arg32Tyr human proinsulin mutant (R32Y-proinsulin) gene was constructed by site-directed mutagenesis and overexpressed inEscherichia coli. Purified R32Y-proinsulin was converted to insulin and Tyr-C-peptide by trypsin and carboxypeptidase B codigestion. Tyr-C-peptide
was isolated through reverse-phase HPLC (RP-HPLC) and identified by C-peptide RIA and amino acid analysis. 相似文献
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