Structural and Functional Analysis of the Pyridoxal Phosphate Homeostasis Protein YggS from Fusobacterium nucleatum

Pyridoxal 5′-phosphate (PLP) is the active form of vitamin B6, but it is highly reactive and poisonous in its free form. YggS is a PLP-binding protein found in bacteria and humans that mediates PLP homeostasis by delivering PLP to target enzymes or by performing a protective function. Several biochemical and structural studies of YggS have been reported, but the mechanism by which YggS recognizes PLP has not been fully elucidated. Here, we report a functional and structural analysis of YggS from Fusobacterium nucleatum (FnYggS). The PLP molecule could bind to native FnYggS, but no PLP binding was observed for selenomethionine (SeMet)-derivatized FnYggS. The crystal structure of FnYggS showed a type III TIM barrel fold, exhibiting structural homology with several other PLP-dependent enzymes. Although FnYggS exhibited low (<35%) amino acid sequence similarity with previously studied YggS proteins, its overall structure and PLP-binding site were highly conserved. In the PLP-binding site of FnYggS, the sulfate ion was coordinated by the conserved residues Ser201, Gly218, and Thr219, which were positioned to provide the binding moiety for the phosphate group of PLP. The mutagenesis study showed that the conserved Ser201 residue in FnYggS was the key residue for PLP binding. These results will expand the knowledge of the molecular properties and function of the YggS family.     

Facile Fabrication of 1-Methylimidazole/Cu Nanozyme with Enhanced Laccase Activity for Fast Degradation and Sensitive Detection of Phenol Compounds

Facile construction of functional nanomaterials with laccase-like activity is important in sustainable chemistry since laccase is featured as an efficient and promising catalyst especially for phenolic degradation but still has the challenges of high cost, low activity, poor stability and unsatisfied recyclability. In this paper, we report a simple method to synthesize nanozymes with enhanced laccase-like activity by the self-assembly of copper ions with various imidazole derivatives. In the case of 1-methylimidazole as the ligand, the as-synthesized nanozyme (denoted as Cu-MIM) has the highest yield and best activity among the nanozymes prepared. Compared to laccase, the K_m of Cu-MIM nanozyme to phenol is much lower, and the v_max is 6.8 times higher. In addition, Cu-MIM maintains excellent stability in a variety of harsh environments, such as high pH, high temperature, high salt concentration, organic solvents and long-term storage. Based on the Cu-MIM nanozyme, we established a method for quantitatively detecting phenol concentration through a smartphone, which is believed to have important applications in environmental protection, pollutant detection and other fields.     

Seasonal variation of 129I species in the Baltic Proper

Iodine speciation plays a significant role in iodine volatilizing into atmosphere from the seas, as well as serving as a biological indicator. Despite this importance, the data on iodine species revealed inconclusive evidence of what factors controlling speciation transformation. We here present new data on profiles of ¹²⁹I speciation in the Baltic Proper during November 2009. Along with the two earlier investigations (August 2006 and April 2007), an assessment of seasonal variation of ¹²⁹I species is presented. The results show that, due to the anoxic nature of Baltic Proper, presence of ¹²⁹IO₃ ^? in the Baltic Proper does not follow an obvious seasonal cycle, as the case with ¹²⁹I^?. Concentrations of ¹²⁹I^? in the Baltic Proper exhibit higher values in summer than the other two seasons (spring and winter), which might be associated with degrading of organic matter and release from sediment to water column that is more pronounced during summer. ¹²⁹I^? in surface water from the three seasons does not reflect the release function from the reprocessing facilities during the period April 2007 to November 2009. Consequently variability of ¹²⁹I^? in surface seawater of the Baltic Proper depends, to some extent, on local physical as well as biochemical conditions.     

Intrinsic properties of active sites for hydrogen production from alcohols without coke formation

The detailed reaction pathway and coke formation mechanism over Pt/metal oxide nanoparticles during the steam reforming of ethanol（SRE） at 300℃were studied.The catalysts were prepared by incipient wetness impregnation method and were characterized with CO pulse chemisorption, BET surface measurement,oxygen adsorption,ethanol-TPD,NH₃-TPD,and TPO.The SRE activity of the catalysts with steam/ethanol molar ratio of 3/1 was tested using a continuous fixed-bed reactor.Strong interaction between Pt and supports causes lower H₂ production temperatures and no C₂H₄ formation,while weak interaction leads to C₂H₄ formation and strong bonded CO on Pt particles during ethanol-TPD. H₂ production over Pt-based catalysts is mainly resulted from the decomposition and dehydrogenation of ethanol,and decarbonylation of acetaldehyde.Meanwhile,coke can be formed from acetaldehyde,acetone,C₂H₄ and CO.However,when the interaction between Pt and supports is weak,more coke is formed especially from acetone,C₂H₄ and CO.When the interaction is strong,no coke formation is observed due to high oxygen storage capacity of the catalyst.     

Facile one‐pot method of initiator fixation for surface‐initiated atom transfer radical polymerization on carbon hard spheres

An efficient and novel one‐pot process is developed to immobilize the atom transfer radical polymerization (ATRP) initiators onto the surface of fully pyrolyzed carbon hard spheres (CHSs) via a radical trapping process from the in situ thermal decomposition of bis(bromomethylbenzoyl)peroxide. The CHSs do not require any additional preparative treatment prior to the initiator immobilization. Styrene and methyl methacrylate are polymerized onto initiator‐immobilized CHSs by surface‐initiated atomic transfer radical polymerization (SI‐ATRP). Samples are characterized using Fourier transform infrared, thermogravimetric analysis, scanning electron microscopy, and transmission electron microscopy. These methods of characterization confirmed that all the CHSs are coated with a uniform layer of grafted polymer. This efficient, one‐pot immobilization of ATRP‐initiators represents an exceptionally simple route for the rapid preparation of various polymer‐coated carbon‐based nanomaterials using SI‐ATRP. © 2013 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2013, 51, 3314–3322     

基于隐结构和网络药理学探讨泛血管疾病用药证型及作用机制

通过计算机技术探讨中医药治疗泛血管疾病的用药证型及可行性,为临床治疗及新药研发提供客观参考依据。检索《中华人民共和国药典》2020版治疗血管类疾病的中成药,进行数据分析;运用Lantern 5.0,进行隐结构分析,对所得Z5组药物进行网络药理学预测及分子对接验证。得到相关中成药79个,涉及中药156味,其中高频中药有丹参、川芎、三七等,功效以补虚药、活血化瘀药为主,以温性药最多,药味以甘、苦为主,入肝、心经;通过隐结构分析推测出常见证候有气虚血瘀、痰瘀阻络、阴阳两虚、阴虚血瘀、气滞血瘀5种。可见泛血管疾病总体是因虚致病,虚实夹杂,气虚血瘀,临床治疗以活血化瘀为主,随证配合补气行气、温阳滋阴、化痰等治法。通过网络药理学及分子对接发现Z5组药物可能通过主要活性成分槲皮素、黄芩素、山奈酚等,激活流体剪切应力与动脉粥样硬化、AGE-RAGE信号通路在糖尿病并发症中的作用、血脂和动脉粥样硬化等信号通路,作用于TNF、AKT1、PTGS2等靶点,干预炎症、细胞增殖和凋亡、脂质代谢等过程而发挥抗动脉粥样硬化作用,从而治疗泛血管疾病,说明通过计算机技术分析已有数据在探索治疗疾病上有其一定的有效性及可能性。     

电动汽车动力电池组液冷散热优化

电动汽车动力电池在充放电过程中快速产生大量的热量,开展高效散热设计有利于提升电池组工作效率及其安全性。采用冷板和电池组相结合的方式进行电池组液冷散热设计,以50℃作为临界最高温度进行研究,结果表明冷板与电池组采用侧面侧方布置时电池表面平均温度最低,温度均匀性较好。满足散热设计对应的相间侧向所需质量流量最小且为0.05 kg/s,而相间上向模型的压降最小。因此,电池组散热设计时可优先选择电池单体与冷板相间布置的结构。     

湖南锡矿山高锑地下水稳定碳同位素特征及其富锑意义

溶解性有机碳是地下水中Sb富集的关键因素,为探明湖南锡矿山高Sb地下水稳定碳同位素特征,揭示有机质氧化分解过程对地下水中Sb富集的影响,对湖南锡矿山高Sb地下水选用碳稳定同位素分馏和水化学相结合的方式进行分析。结果表明：湖南锡矿山高Sb地下水δ13CDIC值在-17.84‰~-2.30‰之间,δ13CDOC值在-26.87‰~-16.70‰之间。高Sb地下水中Sb与DOC、HCO3-均呈正相关关系,表明微生物作用对高Sb地下水中Sb的富集具有较大的贡献。高Sb地下水溶解性有机碳相对于溶解性无机碳具有更负的δ13C值,DOC主要受内源有机质的影响;随着δ13CDIC-δ13CDOC差值的减小,Sb浓度逐渐升高,表明由于微生物的存在,有机质的氧化分解明显促进了高Sb地下水中Sb的富集。     

北盘江大桥推荐桥位安龙岸边坡稳定性分析

为判断北盘江大桥推荐桥位安龙岸边坡的稳定性,分别采用Slide. v6007、Phase2 V9. 0边坡稳定分析计算软件和FLAC3D软件对安龙岸边坡进行二维和三维稳定性计算分析。计算分析显示,安龙岸边坡稳定性计算安全系数大于安全系数设计标准,从理论分析来看该边坡处于稳定状态,并且有一定的安全裕度。相对于二维分析的计算安全系数,三维分析的计算安全系数要大。安龙岸边坡稳定性分析结论为花江北盘江大桥推荐桥位的初步设计提供了较为合理的依据。