Rational Design of Potent Inhibitors of a Metallohydrolase Using a Fragment-Based Approach

Metallohydrolases form a large group of enzymes that have fundamental importance in a broad range of biological functions. Among them, the purple acid phosphatases (PAPs) have gained attention due to their crucial role in the acquisition and use of phosphate by plants and also as a promising target for novel treatments of bone-related disorders and cancer. To date, no crystal structure of a mammalian PAP with drug-like molecules bound near the active site is available. Herein, we used a fragment-based design approach using structures of a mammalian PAP in complex with the Maybridge^TM fragment CC063346, the amino acid L-glutamine and the buffer molecule HEPES, as well as various solvent molecules to guide the design of highly potent and efficient mammalian PAP inhibitors. These inhibitors have improved aqueous solubility when compared to the clinically most promising PAP inhibitors available to date. Furthermore, drug-like fragments bound in newly discovered binding sites mapped out additional scaffolds for further inhibitor discovery, as well as scaffolds for the design of inhibitors with novel modes of action.     

Anthocyanin-fortified konjac glucomannan/sodium alginate composite edible boba: characteristics of texture,microstructure, in vitro release behaviour and antioxidant capacity

Konjac glucomannan/sodium alginate composite edible boba (KGM/SA-boba) with good taste is very popular in China, and it is an outstanding carrier for health potential ingredients. In this work, KGM/SA-boba were fortified with 0.25, 0.50, 0.75 and 1.00% purple sweet potato anthocyanin (PSPA), then characterised by the water distribution, texture, microstructure, in vitro release property of PSPA and antioxidant capacity. LF-NMR analysis demonstrated that the free water of KGM/SA-boba could transfer to tightly bound water with the addition of PSPA that made it with better water-binding ability, higher springiness and lower hardness. And the results of SEM and rheology showed that PSPA could stabilise the microstructure of KGM/SA-boba by forming more amorphous regions and hydrogen bonds proved by the results of DSC and FT-IR. Furthermore, 50% of PSPA in PSPA-fortified KGM/SA-boba can be released at the first hour in a simulated gastrointestinal environment. And the scavenging capacity of DPPH and ABTS of the PSPA-fortified KGM/SA-boba after digestion was higher than that of PSPA alone. Generally, PSPA could improve the texture while KGM/SA-boba in turn would make PSPA more stable in the gastrointestinal digestive system.     

水浴振荡碱消解-火焰原子吸收法测定土壤中六价铬

建立了水浴振荡碱消解-火焰原子吸收法测定土壤中的六价铬的方法。称取经风干、研磨并过0.15 mm孔径筛的土壤样品2.0 g(精确至0.01 g)置于150 mL锥形瓶中,加入25.0 mL碱性提取溶液,再加入400 mg氯化镁和0.5 mL磷酸氢二钾-磷酸二氢钾缓冲溶液,用聚乙稀薄膜封口,置于水浴恒温振荡器中。常温振荡样品5 min后,开启加热装置,加热水浴振荡至90～95℃,保持90 min。取下,冷却至室温。过滤,用硝酸调节溶液pH至7.5±0.5,将此溶液定容至50 mL容量瓶中,摇匀,待测。该方法采用水浴振荡碱消解的前处理方式进行土壤中六价铬的全消解,代替了磁力搅拌加热方式的消解,优化了前处理条件,简化了试验步骤,节约了分析测试时间,提高了分析效率,此方法还有利于处理大批量土壤样品。探讨了样品前处理提取温度的优化选择、氯化镁加入量的研究优化、提取时间的优化选择、pH值的优化以及三价铬干扰试验的影响。确认了最优化的仪器条件,对六价铬做了线性范围测试,曲线相关系数均在0.999以上。依据HJ 168—2020方法做了检出限,六价铬的检出限为0.5 mg/kg,以4倍检出限做测定下限,则测定下限为2.0 mg/kg。(取样量为2.0 g,定容体积为50 mL)。选取GBW(E)07251—255系列标准物质进行测试试验,试验结果的精密度和准确度均可满足土壤环境监测技术规范的要求。     

Effect of sintering temperature on lightweight aggregates manufacturing from copper contaminated soil

Manufacturing lightweight aggregate (LWA) at high temperature is an effective way to immobilize heavy metals in solid waste. This work investigated the performance and solidification mechanism of LWA prepared from copper contaminated soil. The volume expansion of LWA could reach a maximum of 28%, and its lowest density accounted of 1.5 g/cm³, which met the standard requirements. Optical microscope and micro-CT test illustrated that the addition of Cu leaded to obvious phase separation in LWA. The Cu leaching result of LWA first increased and then dropped with the temperature. The XRD test found that the main formation phase of Cu in LWA were t-CuFe₂O₄ and amorphous phase that they had different acid resistance ability. XPS revealed that the main cause of the agglomeration of liquid phase in LWA was the chain broken reaction between Cu and Si–O tetrahedron. SEM-EDS results showed that the distribution of Cu and Si had a strong correlation, which meant that Cu mostly formed amorphous phase. This work showed the uniqueness of Cu in the high temperature immobilization and pointed out the best immobilization target phase.     

木质纤维与水泥共同改良软土的力学性能与微观机制分析

通过压实试验、无侧限抗压强度试验和劈裂试验,分析不同木质纤维含量、水泥含量和固化时间对软土力学性能的影响规律,探讨木质纤维、水泥改良软土的微观机制。结果表明,木质纤维的加入对水泥改良软土的击实特性有显著的影响;木质纤维与水泥可有效改善土体的抗压和劈裂抗拉强度,随着木质纤维含量的增加,改良土的抗压和劈裂抗拉强度呈现出明显的“驼峰”现象,并在木质纤维含量为0.25%时最大;木质纤维与水化产物、软土颗粒形成互锁效应,增大了改良土的摩擦力,同时木质纤维还承担一定的拉伸强度,使改良土的劈裂强度增加。     

不同消解方法对土壤中铜锌测定的影响

采用微波消解法和石墨消解法对土壤样品进行预处理,用火焰原子吸收分光光度法测定土壤中铜和锌的含量。对3个土壤标准物质(GSS-17、GSS-30、GSS-34)的精密度和准确度进行了分析,结果表明:微波消解法和石墨消解法的检出限、精密度和准确度均能满足土壤检测的要求,石墨消解法相对于微波消解法更加便捷,具有很好的精密度和准确度。     

Melt processing and characterization of tricalcium phosphate filled polybutylene adipate-co-terephthalate/polymethyl methacrylate composites for biomedical applications

Abstract

PBAT/PMMA/MA/TCP composites were prepared by melt blending and characterized by FTIR, XRD, SEM and in vitro bioactivity studies using SBF and cell viability tests. SBF studies revealed good bioactivity nature which was observed in SEM and confirmed by EDAX. Cell viability test revealed an excellent viability of squamous cells within 2?h than the control. Soil burial tests of the composites show fast degradation within 50 days under natural conditions. The tensile and hardness properties is marginally increased than that of PBAT/PMMA blend. These biocomposites can be used for the fabrication of medical devices by melt blending and injection molding process.     

Isolation and identification of soil bacteria resistant to surfactants in washing detergents

Linear alkylbenzene sulfonate (LAS) and polyoxyethylene lauryl ether (POLE) are the major surfactants in washing detergents. In the present study, we isolated surfactant-resistant bacteria from soil samples collected from a sports ground and a farm field. The samples were treated with 2.0% LAS or POLE at 25°C for 30 min and cultivated on agar plates at 25°C for several days, after which manifold bacterial colonies were isolated. Thereafter, we tested the ability of each bacterial isolate to resist the antibacterial activity of the surfactant. Ten LAS-resistant strains were isolated, and all were found to be Gram-negative bacteria such as Enterobacter and Pseudomonas. On the other hand, 18 POLE-resistant strains were isolated, of which 14 were Gram-positive bacteria including Bacillus and Microbacterium. Notably, one POLE-resistant strain was identified as Bacillus cereus, a potential causative agent for foodborne illness. The genera of LAS- and POLE-resistant bacteria did not overlap. Therefore, the combination of LAS and POLE could be more effective to eliminate soil bacteria from clothes and/or daily necessities.