New pyrazinoquinazoline alkaloids Isolated from a culture of Stenotrophomonas maltophilia QB-77

Two new pyrazinoquinazoline alkaloids, epi-fiscalin D (1) and epi-fiscalin E (2), as well as three known analogues, norquinadoline A (3), quinadoline A (4), and fiscalin C (5), were isolated from ethyl acetate extract of the fermentation broth of Stentrophomonas maltophilia QB-77. The structures of new compounds were elucidated on the basis of extensive spectroscopic data analysis including UV, HRESIMS, and 1D and 2D NMR experiments. All the isolated compounds were tested for their in vitro cytotoxicity against five human cancer cell lines (SMMC-7721, MCF-7, HL-60, SW480, and A-549) and antibacterial activities against Bacillus subtilis, Escherichia coli, and Staphylococcus aureus.     

Preparation of C30 concrete and its adsorption performance for Cs(I)

Journal of Radioanalytical and Nuclear Chemistry - The preparation of C30 concrete for a cavernous waste repository under construction in China and its Cs(I) adsorption performance were...     

Tuning C1/C2 Selectivity of CO2 Electrochemical Reduction over in-Situ Evolved CuO/SnO2 Heterostructure

Heterostructured oxides with versatile active sites, as a class of efficient catalysts for CO₂ electrochemical reduction (CO₂ER), are prone to undergo structure reconstruction under working conditions, thus bringing challenges to understanding the reaction mechanism and rationally designing catalysts. Herein, we for the first time elucidate the structural reconstruction of CuO/SnO₂ under electrochemical potentials and reveal the intrinsic relationship between CO₂ER product selectivity and the in situ evolved heterostructures. At −0.85 V_RHE, the CuO/SnO₂ evolves to Cu₂O/SnO₂ with high selectivity to HCOOH (Faradaic efficiency of 54.81 %). Mostly interestingly, it is reconstructed to Cu/SnO_2-x at −1.05 V_RHE with significantly improved Faradaic efficiency to ethanol of 39.8 %. In situ Raman spectra and density functional theory (DFT) calculations reveal that the synergetic absorption of *COOH and *CHOCO intermediates at the interface of Cu/SnO_2-x favors the formation of *CO and decreases the energy barrier of C−C coupling, leading to high selectivity to ethanol.     

Stable Aqueous Photoelectrochemical CO2 Reduction by a Cu2O Dark Cathode with Improved Selectivity for Carbonaceous Products

Photocatalytic reduction of CO₂ to produce fuels is a promising way to reduce CO₂ emission and address the energy crisis. However, the H₂ evolution reaction competes with CO₂ photoreduction, which would lower the overall selectivity for carbonaceous products. Cu₂O has emerged as a promising material for suppressing the H₂ evolution. However, it suffers from poor stability, which is commonly regarded as the result of the electron‐induced reduction of Cu₂O. This paper describes a simple strategy using Cu₂O as a dark cathode and TiO₂ as a photoanode to achieve stable aqueous CO₂ reduction with a high Faradaic efficiency of 87.4 % and a selectivity of 92.6 % for carbonaceous products. We have shown that the photogenerated holes, instead of the electrons, primarily account for the instability of Cu₂O. Therefore, Cu₂O was used as a dark cathode to minimize the adverse effects of holes, by which an improved stability was achieved compared to the Cu₂O photocathode under illumination. Additionally, direct exposure of the Cu₂O surface to the electrolyte was identified as a critical factor for the high selectivity for carbonaceous products.     

Sequence‐based prediction of protein–peptide binding sites using support vector machine

Protein–peptide interactions are essential for all cellular processes including DNA repair, replication, gene‐expression, and metabolism. As most protein – peptide interactions are uncharacterized, it is cost effective to investigate them computationally as the first step. All existing approaches for predicting protein – peptide binding sites, however, are based on protein structures despite the fact that the structures for most proteins are not yet solved. This article proposes the first machine‐learning method called SPRINT to make Sequence‐based prediction of Protein – peptide Residue‐level Interactions. SPRINT yields a robust and consistent performance for 10‐fold cross validations and independent test. The most important feature is evolution‐generated sequence profiles. For the test set (1056 binding and non‐binding residues), it yields a Matthews’ Correlation Coefficient of 0.326 with a sensitivity of 64% and a specificity of 68%. This sequence‐based technique shows comparable or more accurate than structure‐based methods for peptide‐binding site prediction. SPRINT is available as an online server at: http://sparks-lab.org/ . © 2016 Wiley Periodicals, Inc.     

导体栅的静电屏蔽作用

采用保角变换的方法 ,计算了导体栅作屏蔽罩时的场强分布 ,所得结果表明导体栅具有很好的静电屏蔽作用     

基于MCPT解法器库的专用辐射探测模拟软件研发与应用北大核心CSCD

甲状腺内^(131)I放射性活度与辐射探测结果的比例关系与甲状腺几何尺寸、探测距离等因素相关,是估算甲状腺内^(131)I含量与其可能造成的辐照损伤的关键参数。基于MCPT辐射输运数值模拟算法器库开发了用于开展NaI探测器伽马辐射测量模拟的应用程序,进而建立了多组具有不同容积的甲状腺型容器和不同探测距离的物理模型,最终通过蒙特卡罗数值计算得到了不同测量状态下探测器的探测效率。在甲状腺型容器与探测器距离较远时,数值模拟给出的结果与理论计算结果一致,证明此应用程序可用于定量分析NaI的探测效率。数值模拟结果表明,小距离模型的结果受甲状腺样容器的大小和距离的显著影响,模拟给出的探测效率表为开展深入细致的实验研究奠定了基础。     

具有本征低晶格热导率的硫化银快离子导体的热电性能

硫化银(Ag_2S)是一种典型的快离子导体材料,前期关于Ag_2S的研究主要集中在光电和生物等领域.最近的研究表明, a-Ag_2S具有和金属一样的良好延展性和变形能力.但是, Ag_2S的热电性能尚无公开报道.本工作合成了单相Ag_2S化合物,系统研究了其在300—600 K范围的物相变化、离子迁移特性和电热输运性质.研究发现, Ag_2S在300—600 K温度区间表现出半导体的电输运性质.由于单斜-体心立方相晶体结构转变, Ag_2S的离子电导率、载流子浓度、迁移率、电导率、泽贝克系数等性质在455 K前后出现急剧变化.在550 K, Ag_2S的功率因子最高可达5μW·cm~(–1)·K~(–2). Ag_2S在300—600 K温度区间均表现出本征的低晶格热导率(低于0.6 W·m~(–1)·K~(–1)). S亚晶格中随机分布的类液态Ag离子是导致b-Ag_2S体心立方相具有低晶格热导率的主要原因.在573 K, Ag_2S的热电优值可达0.55,与Ag_2Se, Ag_2Te, CuAgSe等已报道的Ag基快离子导体热电材料的性能相当.     

膨胀腔类超材料的传递损失研究*

声学超材料及结构已被广泛研究,其超结构通常利用3D打印技术实现,当结构刚度较小或者面积较大时,由声固耦合所导致的声学效果与设计不符的情况广泛存在。本文针对含有膨胀腔类的超材料,研究了声固耦合对其声学性能的影响,采用有限元计算结合阻抗管实验的方法,得到其传递损失,分析了声固耦合现象对传递损失的影响。结果表明：薄壁膨胀腔结构的作用频率范围与只考虑声学理论计算的设计不符,声固耦合现象对传递损失产生显著影响;采用增加膨胀腔壁厚、减少膨胀腔内径或选择金属材料的方式,都可以使得声固耦合现象对传递损失的影响减小;仿真结果与实验结果基本吻合。该研究结果说明：对于膨胀腔类超材料,当刚度较小或者面积较大时,对其进行声固耦合分析是完全必要的。