Rare earth‐doped calcium‐based magnetic catalysts for transesterification of glycerol to glycerol carbonate

Several rare earth‐doped, calcium‐based magnetic catalysts were prepared for the synthesis of glycerol carbonate. The basicity and basic strength analysis of the catalysts showed that the doping of rare earth improved the basicity of the catalysts, and the doping of lanthanum maximized it. In addition, with the doping of lanthanum, the particle size of the catalyst became smaller to promote the organic reactants near the active sites of catalysts, thereby effectively improving the performance. NiFe₂O₄@[CaO‐La₂O₃] shows better catalytic performance with 99.0% yield of glycerol carbonate compared to the other catalysts. The NiFe₂O₄@(CaO‐La₂O₃) could be reused in six cycles without significant loss in activity.     

甲烷单加氧酶活性化合物的体外重构

甲烷氧化菌中甲烷单加氧酶既能催化甲烷转化为甲醇,也能降解小分子含氯有机物.将甲烷单加氧酶组分进行基因重组表达,利用表达的组分重构酶活性化合物,测定了重构化合物的丙烯环氧化活性及对三氯乙烯和三氯甲烷的降解.结果显示:经过30℃、220 r/min、20 min降解,约有52%的三氯乙烯被降解;在32℃、220 r/min、8 h反应条件下,约有26%的三氯甲烷被降解;表明甲烷单加氧酶亚基组分表达正确,能够在微生物体外重构活性化合物.     

柔性砷化镓薄膜太阳电池剥离(lift-off)技术研究

对柔性砷化镓薄膜太阳电池关键技术进行研究,通过对柔性衬底表面处理、外延片/柔性衬底键合、衬底剥离技术和柔性薄膜外延层器件工艺技术等进行研究,成功地将砷化镓电池外延层转移到柔性聚酰亚胺薄膜衬底上,研制出效率为30.5;(AM0,25℃)的柔性砷化镓薄膜太阳电池,其重量比功率达到2153 W/kg,为将来卫星及临近空间飞行器的应用打下技术基础.     

Polyimide separators for rechargeable batteries

Separators are indispensable components of modern electrochemical energy storage devices such as lithium-ion batteries (LIBs).They perform the critical function...     

Identification of Pharmacophoric Fragments of DYRK1A Inhibitors Using Machine Learning Classification Models

Dual-specific tyrosine phosphorylation regulated kinase 1 (DYRK1A) has been regarded as a potential therapeutic target of neurodegenerative diseases, and considerable progress has been made in the discovery of DYRK1A inhibitors. Identification of pharmacophoric fragments provides valuable information for structure- and fragment-based design of potent and selective DYRK1A inhibitors. In this study, seven machine learning methods along with five molecular fingerprints were employed to develop qualitative classification models of DYRK1A inhibitors, which were evaluated by cross-validation, test set, and external validation set with four performance indicators of predictive classification accuracy (CA), the area under receiver operating characteristic (AUC), Matthews correlation coefficient (MCC), and balanced accuracy (BA). The PubChem fingerprint-support vector machine model (CA = 0.909, AUC = 0.933, MCC = 0.717, BA = 0.855) and PubChem fingerprint along with the artificial neural model (CA = 0.862, AUC = 0.911, MCC = 0.705, BA = 0.870) were considered as the optimal modes for training set and test set, respectively. A hybrid data balancing method SMOTETL, a combination of synthetic minority over-sampling technique (SMOTE) and Tomek link (TL) algorithms, was applied to explore the impact of balanced learning on the performance of models. Based on the frequency analysis and information gain, pharmacophoric fragments related to DYRK1A inhibition were also identified. All the results will provide theoretical supports and clues for the screening and design of novel DYRK1A inhibitors.     

Modeling Fraunhofer diffractive characteristics for modulation transfer function analysis of tilted ring metallic mesh

In order to analyze the Fraunhofer diffractive characteristics and modulation transfer function (MTF) of a tilted ring metallic mesh, an optical intensity distribution model of Fraunhofer diffraction is built using Huygens–Fresnel diffraction theory and the diffraction integral is carried out directly in the tilted mesh plane. The diffraction characteristics of the tilted ring metallic mesh are in good agreement with experimental results, which proves the correctness of the model established. MTF of an optical system with metallic mesh is calculated based on the model established and Fourier transform. Analysis shows that the degradation of MTF caused by diffraction of a ring mesh is much less than that of a square mesh whether they are vertical or tilted to the optical axis. Therefore, ring mesh can provide higher imaging quality than square mesh when they are used as high-pass filters in optical windows. A tilted array diffraction modulating factor is abstracted and believed useful in the analysis of diffractive characteristics of tilted square mesh and ring mesh, and it can be extended to Fraunhofer diffractive characteristics analysis of other tilted diffraction arrays.     

氮化铟p型掺杂的第一性原理研究

采用基于密度泛函理论(DFT)的总体能量平面波超软赝势法，对Mg，Zn，Cd掺杂InN的32原子超原胞体系进行了几何结构优化，从理论上给出了掺杂和非掺杂体系的晶体结构参数，其中非掺杂体系的理论值与实验值符合很好. 计算了掺杂InN晶体的结合能，总体态密度、集居数，差分电荷密度，并对此做了细致的分析. 计算结果表明，相对于Zn和Cd，Mg_In在InN中的溶解度会更大，并能提供更多的空穴态，非常有利于InN的p型掺杂. 关键词： 氮化铟 p型掺杂 电子结构 第一性原理     

Picosecond pulses from a cryogenically cooled, composite amplifier using Yb:YAG and Yb:GSAG

A cryogenic Yb amplifier using two laser materials, Gd3Sc2Al3O12 and Y3Al5O12 (YAG), has been used to obtain 70 W average power at 5 kHz pulse repetition frequency; the output was compressed to 1.6 ps, compared with an input compressible to 1.4 ps. The gain broadening obtained by combining two media enables shorter pulses than using Yb:YAG alone but retains the power-scaling advantages of cryogenic Yb:YAG.     

QUANTUM FLUCTUATIONS IN MESOSCOPIC RESISTANCE-INDUCTANCE-CAPACITANCE ELECTRIC CIRCUITS AT FINITE TEMPERATURE

By using the charge and current in a quantization resistance-inductance-capacitance (RLC) electric circuit, we construct a pair of canonical variables. Using this pair of variables and the thermal field dynamics, we obtain the fluctuations of charge and current in the RLC electric circuit at finite temperatures. It is shown that the fluctuations increase with increasing temperature and decrease with prolonging of time.     

Recent Advances in Common Transition Metal-Based Single-Atom Nanozymes and Their Applications in Pollutant Detection and Degradation

Nanozymes can be used as favorable substitutes for natural enzymes because of their strong catalytic activity and good stability. At the same time, research on single-atom catalysts (SACs) with isolated metal atoms as active centers is also in full swing, showing excellent performance in a variety of catalytic reactions. With the in-depth study of SACs, people have a comprehensive understanding of them and put forward the concept of single-atom nanozymes (SAzymes) by combining nanozymes with SACs. As a new type of nanomaterial, SAzymes have attracted great interest due to their remarkable catalytic activity and rapid energy conversion. However, most applications of SAzymes are mainly in the fields of biomedicine and biosensing, and less research has been done in the field of the environment. Based on the amazing ability of nanozymes to detect and degrade pollutants, SAzymes are also used in the environmental field, and even they will show better capabilities. This review mainly analyses common transition metal-based SAzymes and describes their applications in the field of environmental pollutants.