Carbonylative Stille coupling reactions of benzyl chlorides with allyltributylstannane catalyzed by palladium nanoparticles

The carbonylative Stille coupling reaction of benzyl chlorides with allyltributylstannane was successfully conducted by using palladium nanoparticles as the catalyst under phosphine ligand-free conditions. The corresponding α,β-unsaturated ketone products were obtained in good to excellent yields.     

Assembly of copolymer blend on nanopatterned surfaces: a molecular simulation study

We report a molecular simulation study on the assembly of an (A7B5)5/A7B5 copolymer blend on nanopatterned surfaces. The density distributions, anisotropic radii of gyration, and conformations of both copolymers are quantitatively characterized. As the width of stripes on the surface decreases, the shape and thickness of the assembled film are found to be in qualitative agreement with those from experiments. The simulation results indicate that the shape and conformation of ordered film can be modulated by tuning the adsorption energy between the surface and the polymer or by adjusting the width of the stripes on the surface. We can regulate the width of the stripes to obtain a desired polymer conformation without altering the assembled film. In remarkable contrast to the pure copolymer, the radii of gyration of the blend in three directions are consistently smaller. The simulation reveals that the addition of a short chain during assembly is of central importance in restructuring the conformations of the long chain.     

常用玻璃量器检定注意事项

总结了常用玻璃量器检定过程中的注意事项,讨论了外观检查、清洁度、涂抹油脂、温度控制、液面观察方法对常用玻璃量器检定结果的影响,其中定容时是否使用黑色遮光带造成的影响最大。     

高碘酸氧化法快速测定进口粗甘油中甘油含量

建立了高碘酸氧化法快速测定进口粗甘油中甘油含量的分析方法。对高碘酸钠加入量、溶液pH值和放置时间等主要影响因素进行了考察。经试验确定了最佳实验条件:质量浓度为60 g/L的高碘酸钠溶液加入量35mL,pH值在0.4～1.6之间,放置时间40 min。在选定实验条件下,该方法测定结果的相对标准偏差为1.26%(n=7),加标回收率为97.2%～104.1%。     

Synthesis,Bioactivity Evaluation,3D-QSAR,and Molecular Docking of Novel Pyrazole-4-carbohydrazides as Potential Fungicides Targeting Succinate Dehydrogenase

To screen novel antifungal agents targeting the succinate dehydrogenase(SDH),a series of pyrazole-4-carbohydrazides were rationally designed,synthesized,and characterized under the guidance of the structures of succinate dehydrogenase inhibitors(SDHIs).Bioassay results in vitro indicated that most of the target compounds exhibited excellent activity against Rhizoctonia solani(R.solani),Fusarium graminearum(F.graminearum),Botrytis cinerea(B.cinerea)and Colletotrichum capsica(C.cinerea).Compounds 7d,7l,7t and 7x were identified as the most promoting candidates,and their anti-F.graminearum EC50 values were as low as 0.56,0.47,0.46 and 0.49μg/mL,respectively,presenting the similar antifungal activity as that of the commonly used fungicide carbendazim(0.43μg/mL).The 3D-QSAR models were built for a systematic structure-activity relationship profile to explore more potent pyrazole-4-carbohydrazides as novel fungicides.Molecular docking of 7d,7l and 7r with SDH was performed to reveal the binding modes in active pocket and analyze the interactions between the molecules and the SDH protein.     

Ameliorating the interfacial issues of all-solid-state lithium metal batteries by constructing polymer/inorganic composite electrolyte

Lithium metal is one of the most promising anodes for next-generation batteries due to its high capacity and low reduction potential.However,the notorious Li de...     

Influence of non-Gaussian noise on a tumor growth system under immune surveillance

In this paper, the stationary probability distribution (SPD) function and the mean first passage time (MFPT) are investigated in a tumor growth model driven by non-Gaussian noise which is introduced to mimic random fluctuations in the levels of the immune system. Results demonstrate the different transitions induced by the strength of non-Gaussian noise under different immune coefficients and the dual roles of non-Gaussian noise in promoting host protection against cancer and in facilitating tumor escape from immune destruction. Additionally, it can be discovered that increases in noise strength, the degree of departure from Gaussian noise, and the immune coefficient can accelerate the extinction of tumor cells. Numerical simulations are performed, and their results present good agreement with the theoretical results.     

Einstein-Podolsky-Rosen Steering and Quantum Phase Transition in Spin Chains

We study the Einstein-Podolsky-Rosen steering and quantum phase transitions of the transverse Ising and antiferromagnetic XXZ spin-1/2 chains. By making use of steerable weight, we calculate the steerability for the bipartite subsystems of the models. It is shown that steerability vanishes abruptly and its value maintains zero in a region close to the critical point for the Ising chain. This result is quite different from the information provided by entanglement and quantum discord. While for the XXZ chain, steerability increases and reaches maximal at the critical point, indicating the occurrence of quantum phase transition.