Optimized Biocatalytic Synthesis of 2-Selenopyrimidine Nucleosides by Transglycosylation**

Selenium-modified nucleosides are powerful tools to study the structure and function of nucleic acids and their protein interactions. The widespread application of 2-selenopyrimidine nucleosides is currently limited by low yields in established synthetic routes. Herein, we describe the optimization of the synthesis of 2-Se-uridine and 2-Se-thymidine derivatives by thermostable nucleoside phosphorylases in transglycosylation reactions using natural uridine or thymidine as sugar donors. Reactions were performed at 60 or 80 °C and at pH 9 under hypoxic conditions to improve the solubility and stability of the 2-Se-nucleobases in aqueous media. To optimize the conversion, the reaction equilibria in analytical transglycosylation reactions were studied. The equilibrium constants of phosphorolysis of the 2-Se-pyrimidines were between 5 and 10, and therefore differ by an order of magnitude from the equilibrium constants of any other known case. Hence, the thermodynamic properties of the target nucleosides are inherently unfavorable, and this complicates their synthesis significantly. A tenfold excess of sugar donor was needed to achieve 40−48 % conversion to the target nucleoside. Scale-up of the optimized conditions provided four Se-containing nucleosides in 6–40 % isolated yield, which compares favorably to established chemical routes.     

负径向电场对带电粒子俘获率影响的数值模拟

本文采用数值方法求解Grad-Shafranov方程反演EAST典型长脉冲放电实验(炮号33068)的平衡位形和磁场分布，进而结合粒子在托卡马克电磁场中的运动方程，模拟氘离子在负径向电场存在时的运动轨迹，并统计不同负径向电场下的氘离子俘获率。结果表明：随负径向电场的增大，氘离子轨迹由扩张通行轨迹向外翻香蕉轨迹再向内翻香蕉轨迹，最后向压缩通行轨迹演变；氘离子俘获率随负径向电场的增大而减小，氘离子初始速度越小，其变化越大。     

不锈钢酸洗污泥对烧结黏结相与平衡相的影响

 不锈钢酸洗污泥安全填埋占用土地且难以消除对环境的危害，将酸洗污泥作为烧结配料使用有望回收其中铁、铬、镍等金属，并充分利用其中的熔剂组分，实现酸洗污泥在冶金企业的闭路资源化利用。铁矿粉配加酸洗污泥烧结黏结相强度试验表明，随着酸洗污泥配加比例的增加，黏结相强度先增加后减小，且随着碱度的增加整体减小，当酸洗污泥配加比例为10%时，试样中赤铁矿、磁铁矿质量分数最大，枪晶石质量分数较小，在碱度为1.5时于1 280 ℃焙烧4 min，试样的黏结相强度最大可达15.12 kN。平衡相烧结试验表明，配加酸洗污泥能改善烧结矿质量，铁矿粉配加10%的酸洗污泥，碱度为1.5，1 300 ℃烧结240 min后，烧结矿的矿相组成和微观结构最好，综合性能最佳。     

Relationships of tensile strength with crosslink density for the high-carbon black-filled EPDM compounds with various softeners

Equilibrium swelling and rheological tests were adopted to systematically investigate the effects of softener type and dosage on the crosslink densities. The results turned out that the chemical crosslink density could be distinguished from the physical crosslink density by comparing the results of equilibrium swelling and rheological tests. The liquid butadiene (LB) as a softener leads to the greatest reduction in crosslink density, followed by polyethylene wax (PW) and paraffinic oil (PO). The tensile strength decreases with increasing PO content while shows peak values with increase of LB and PW contents. The dependencies of chemical crosslink density on the aging time under 150°C are quite different for the three softeners, which can be expected from the double crosslinking networks consisting of small softener and large main crosslinking networks. Further investigation has been performed to correlate the tensile strength with chemical crosslink density of ethylene propylene diene monomer elastomer vulcanizates. Three different linear relationships can be obtained for the softeners independent of the aging time. It can now be expected from this study that the role of some new softeners in rubber compounds is not only confined to plasticization but also forms crosslinking networks in the peroxide-cured rubbers.     

低剂量抑制剂Inhibex501存在下的甲烷水合物相平衡研究

含动力学抑制剂的天然气水合物相平衡研究对新型低剂量抑制剂的开发具有指导作用。在283.6 ~ 290.9 K和7.51 MPa ~ 15.97 MPa的温压范围内研究了抑制剂Inhibex501及其溶剂2-乙二醇单丁醚对甲烷水合物相平衡条件的影响。实验结果显示，0.5wt%和2.0wt%浓度的Inhibex501对甲烷水合物形成的热力学条件具有促进作用，能使甲烷水合物形成移向更高的温度或者更低的压力，而2-乙二醇单丁醚在浓度0.2wt% ~ 1.0wt%范围几乎不改变甲烷水合物形成的热力学条件，N-乙烯基己内酰胺与N-乙烯基吡咯烷酮的共聚物对水合物形成热力学条件的改变起主要作用。     

Equilibria,kinetics and mechanism for the degradation of the cytotoxic compound L-NG-nitroarginine

L-N^G-nitroarginine (LNNA), an analog of L-arginine, is a competitive inhibitor of nitric oxide synthase which causes the selective reduction of blood flow to tumor cells. Despite the potential of LNNA to function as an adjuvant in cancer therapies, its poor solubility and stability have hindered the development of an injectable formulation of LNNA that is suitable for human administration. This work, for the first time, details a systematic study on the determination of equilibrium K_a constants and the rate law of LNNA degradation. The four K_a values of LNNA were determined to be 1.03, 1.10?×?10^?2, 2.51?×?10^?10, and 1.33?×?10^?13 M. From the kinetic and equilibrium studies, we have shown that the deprotonated form of LNNA is the main form of LNNA that undergoes degradation in aqueous media at room temperature. The rate law of LNNA degradation was found to be first order with respect to OH^? concentration and first order with respect to LNNA^? concentration. The rate constant at 25?°C and 1?atm was determined to be 0.04453 M^?1min^?1. A base catalyzed mechanism of LNNA degradation was proposed based on the kinetic study. The mechanism was found to be very useful in explaining the discrepancies and changes of the rate law at different pH values. It is thus recommended that LNNA should be formulated as a concentrated solution in acidic conditions for maximum chemical stability during storage and be diluted with a basic solution to near physiological pH just before administration.     

双季戊四醇在3种混合溶剂中的固-液相平衡

采用动态平衡法，在293.15～332.80 K、常压下，测定了双季戊四醇(DPE)在水+(甲醇、乙醇、异丙醇)三种混合溶剂中的溶解度数据。结果表明：DPE在不同质量分数的水+(甲醇、乙醇、异丙醇)混合溶剂中的溶解度随体系温度升高而增大；同一温度下，其在所选取溶剂体系中的溶解度随着甲醇、乙醇或异丙醇质量分数的增大而先增大后减小。λh方程、两参数方程与Apelblat方程均能够对所测定的溶解度数据进行较好的关联；通过修正的van’t Hoff方程计算得到DPE在所选取溶剂体系中Δ_sol H ⁰、Δ_sol S ⁰和Δ_sol G ⁰均大于零，表明DPE在所选取溶剂体系中的溶解过程为吸热、熵增的非自发过程。     

Assessing direct and indirect economic impacts of a flood event through the integration of spatial and computable general equilibrium modelling

In this paper we developed and tested an integrated methodology for assessing direct and indirect economic impacts of flooding. The methodology combines a spatial analysis of the damage to the physical stock with a general economic equilibrium approach using a regionally-calibrated (to Italy) version of a Computable General Equilibrium (CGE) global model. We applied the model to the 2000 Po river flood in Northern Italy. To account for the uncertainty in the induced effects on regional economies, we explored three disruption and two recovery scenarios. The results highlight that: i) the flood event produces indirect losses in the national economic system, which are a significant share of the direct losses, and ii) the methodology is able to capture both positive and negative economic effects of the disaster in different areas of the same country. The assessment of indirect impacts, in particular, is essential for a full understanding of the economic outcomes of natural disasters.