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71.
Chang-Chun Ding Shao-Yi Wu Li-Juan Zhang Si-Ying Zhong Xiao-Hong Chen 《Molecular physics》2020,118(3)
Metal organic frameworks (MOFs) have been well-known and extensively researched due to the high storage /good selectivity for gas molecules. Herein, the structures and electron paramagnetic resonance (EPR) spectra for dicopper paddle wheel MOF compound (Cu2(µ2-O2CCH3)4 with various gas molecule are theoretically investigated by density functional theory (DFT) calculations. The adsorption energies and isotherms (including pure gas molecules and the mixed ones) are calculated for the gas molecules interacting with the unsaturated Cu2(µ2-O2CCH3)4. Both quantities exhibit the roughly consistent orders (e.g. H2S?>?NH3?>?CO2?>?CO?>?H2O?>?N2?>?NO?>?H2 for isotherms and H2S?>?NH3?>?N2?>?CO2?>?NO?>?H2O?>?H2?>?CO for adsorption energies), possibly suggesting that this material may act as a potential adsorbent of these gas molecules. The catalytic property of Cu2(µ2-O2CCH3)4 for oxidation of CO and NO into non-toxic molecules and splitting of H2O into H2 and O2 in the solvent condition are uniformly discussed. Simulation of Grand Canonical Monte Carlo (GCMC) in MS 8.0 and calculations in Langmuir model reveal that Cu2(µ2-O2CCH3)4 has good selectivity for CH4 in natural gas (CH4/CO2/N2) and SO2 in fog (SO2/NO/NO2/H2O/O2), which would exhibit potential environmentally friendly applications. 相似文献
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74.
O. V. Golovchenko E. R. Abdurakhmanova S. O. Vladimirov M. Y. Brusnakov T. O. Krupoder V. V. Sukhoveev 《Phosphorus, sulfur, and silicon and the related elements》2020,195(10):848-857
AbstractIt is shown that the interaction of 1-acylamino-2,2-dichloroethenyl(triphenyl)-phosphonium chlorides with alkanolamines having a primary amino group results in the formation of 4-oxazolylphosphonium salts containing hydroxyalkylamine substituents at position 5 of the oxazole cycle. Under similar conditions the reaction of N-substituted alkanolamines with 1-acylamino-2,2-dichloroethenyl-(triphenyl)phosphonium chlorides leads to the formation of 1,3-oxazolidin-2-ylidene derivatives, in which the triphenylphosphonium group is located in the side chain. The structure of the new synthesized compounds has been reliably proven by elemental analysis, IR, 1Н, 13С, 31Р NMR spectroscopy, mass spectrometry and single crystal X-ray diffraction. 相似文献
75.
Tong Su Yafei Wang Yi Liu William G. Branton Eugene Asahchop Christopher Power Bei Jiang Linglong Kong Niansheng Tang 《Entropy (Basel, Switzerland)》2020,22(11)
Distance weighted discrimination (DWD) is an appealing classification method that is capable of overcoming data piling problems in high-dimensional settings. Especially when various sparsity structures are assumed in these settings, variable selection in multicategory classification poses great challenges. In this paper, we propose a multicategory generalized DWD (MgDWD) method that maintains intrinsic variable group structures during selection using a sparse group lasso penalty. Theoretically, we derive minimizer uniqueness for the penalized MgDWD loss function and consistency properties for the proposed classifier. We further develop an efficient algorithm based on the proximal operator to solve the optimization problem. The performance of MgDWD is evaluated using finite sample simulations and miRNA data from an HIV study. 相似文献
76.
Based on the surface passivation of n-type silicon in a silicon drift detector(SDD), we propose a new passivation structure of SiO2/Al2O3/SiO2 passivation stacks. Since the SiO2 formed by the nitric-acid-oxidation-of-silicon(NAOS)method has good compactness and simple process, the first layer film is formed by the NAOS method. The Al2O3 film is also introduced into the passivation stacks owing to exceptional advantages such as good interface characteristic and simple process. In addition, for requirements of thickness and deposition temperature, the third layer of the SiO2 film is deposited by plasma enhanced chemical vapor deposition(PECVD). The deposition of the SiO2 film by PECVD is a low-temperature process and has a high deposition rate, which causes little damage to the device and makes the SiO2 film very suitable for serving as the third passivation layer. The passivation approach of stacks can saturate dangling bonds at the interface between stacks and the silicon substrate, and provide positive charge to optimize the field passivation of the n-type substrate.The passivation method ultimately achieves a good combination of chemical and field passivations. Experimental results show that with the passivation structure of SiO2/Al2O3/SiO2, the final minority carrier lifetime reaches 5223 μs at injection of 5×1015 cm-3. When it is applied to the passivation of SDD, the leakage current is reduced to the order of nA. 相似文献
77.
78.
In this study, an ITO (indium tin oxide) based biosensor was constructed to detect SOX2. SOX2 helps the regulation of cell pluripotency and is closely related to early embryonic development, neural and sexual differentiation. SOX2 is amplified and overexpressed in some malignant tumors such as squamous cell, lung, prostate, breast, esophageal cell, colon, ovarian, glioblastoma, pancreatic cancer, gastric cancer, head and neck squamous cell carcinoma. To generate a hydroxylated clean electrode surface, ITO electrodes were treated with NH4OH/H2O2/H2O. Later, ITO‐PET electrode surfaces were modified with 3‐glycidoxypropyl trimethoxysilane (3‐GOPS). Then, Anti‐SOX2 was covalently immobilized onto the electrode surfaces. 3‐GOPS concentration, Anti‐SOX2 concentration and incubation time, SOX2 incubation time were optimized. Electrochemical impedance spectroscopy (EIS) and cyclic voltammetry (CV) were utilized in order to follow up the immobilization processes and the optimization steps of the biosensor. To characterize the analytical properties of constructed immunosensor; linear range, repeatability, reproducibility and regeneration studies were investigated. The linear range of the immunosensor was detected as 0.625 pg/mL–62.5 pg/mL. Square wave voltammetry technique was also applied to the biosensor. Storage life of the biosensor was determined for identifying the possible usability of the biosensor in clinical field. Finally, the designed biosensor was applied to the real human serum samples. The results obtained with the presented biosensor were also compared with ELISA results. 相似文献
79.
采用SST k-w低雷诺数湍流模型对加热条件下超临界压力CO2在内径di=22.14 mm,加热长度Lh=2440 mm水平圆管内三维稳态流动与传热特性进行了数值计算.通过超临界CO2在水平圆管内的流动传热实验数据验证了数值模型的可靠性和准确性.首先,研究了超临界压力CO2在水平圆管内的流动传热特点,基于超临界CO2在类临界温度Tpc处发生类液-类气“相变”的假设,揭示了水平圆管顶母线和底母线区域不同的流动传热行为.然后,分析了热流密度qw和质量流速G对水平圆管内超临界压力CO2流动换热的影响,通过获取流体域内的物性分布、速度分布和湍流分布等详细信息,重点解释了不同热流密度qw和质量流速G下顶母线内壁温度Tw,i分布产生差异的传热机理,分析结果确定了类气膜厚度d、类气膜性质、轴向速度u和湍动能k是影响顶母线壁温分布差异的主要因素.研究结果可以为超临界压力CO2换热装置的优化设计和安全运行提供理论指导. 相似文献
80.
建立一种利用高效液相色谱结合荧光检测器准确测定2-噁唑烷酮含量的方法。样品中的2-噁唑烷酮和占吨氢醇在60℃的条件下衍生70 min后,直接进样分析。采用月旭XB-C18色谱柱,流动相为0.02 mol/L乙酸钠水溶液和乙腈,检测器波长为λex=213 nm,λem=308 nm,流速1.0 mL/min,柱温35℃的条件下。2-噁唑烷酮浓度在0.5~50.0mg/mL时,线性关系良好(R2=0.9995),检测限和定量限分别为0.005 mg/L、0.016 mg/L。该方法准确、灵敏、快速,适用于2-噁唑烷酮含量的检测。 相似文献