NO在Ir(111)表面吸附与解离的第一性原理研究

本文系统研究了NO在Ir(111)表面的吸附,解离,以及可能的N_2生成机理.结果表明,顶位吸附的NO,其解离能垒较高(3.17 eV),不会发生解离,而三重Hcp和Fcc空位吸附的NO发生解离,能垒分别为1.23和1.28 eV.N_2是唯一的生成物,不会有副产物N_2O的产生.其最可能的反应路径为N和NO经过N_2O中间体而生成N_2,而不是直接N提取和N-N聚合产生N_2的机理.     

Design,synthesis and biological activity of some novel benzimidazole derivatives against Coxsackie virus B_3

A series of novel benzimidazole derivatives was synthesized and their anti-Coxsackie virus B_3(CVB_3) activity was evaluated in VERO cells.Compounds 9 and 10 exhibited better inhibitory activity than those of ribavirin(RBV) with IC_(50) values of 5.30 and 1.06μg/mL,respectively.     

面向客户群的服务方案配置规则挖掘方法

产品/服务配置规则获取的主要方式是用数据挖掘技术从设计实例数据库中提取.客户化服务方案配置规则为服务功能需求和方案特征间的关联规则.考虑到常用关联规则挖掘算法Apriori具有运算复杂的缺点,提出基于PIETM(Principle of Inclusion—Exclusion and Transaction Mapping)算法的配置规则挖掘方法,考虑置信度和有趣度指标,提取强关联规则.针对配置实例数据库数据量较大时,配置规则挖掘的效率会降低且会产生大量冗余规则的问题,采用二元语义模型表达定性的服务功能需求,将同类客户群的功能需求进行合并,替换多样化的功能需求,减少规则的冗余.最后以一工程机械制造企业服务方案配置规则挖掘为例,验证了所提方法的有效性.     

Effects of carbon contents on morphology and electrical properties of Li2MnSiO4/C prepared by a vacuum solid-state method

To improve the electrochemical performance of Li₂MnSiO₄ with low electric conductivity, the Li₂MnSiO₄/C composite are synthesized by a vacuum solid-state reaction of a mixture of SiO₂, LiCH₃COO, Mn(CH₃COO)₂ and designed mass of C₆H₁₂O₆ · H₂O as carbon sources. The crystalline structure and morphology of products are analyzed by X-ray diffraction (XRD), scanning electron microscopy (SEM) and laser scattering technology (LS) respectively. The tested results show that carbon doping decrease the crystallite sizes of products, but keep the aggregation of the particles and made the impurity increased instead. The results of constant current charge-discharge prove that the mixed carbon improve Li⁺ transmission performance and decrease inner polatization resistance of Li₂MnSiO₄ materials, but can not prevent the collapse of Li₂MnSiO₄ crystal structure. While the galvanostatic intermittent titration technique (GITT) results demonstrate that the primary reason for the improved electrochemical performance can be attributed to increased Li-ion diffusion coefficient $(D_{Li^ + } )$ as a result from carbon doping.     

Determination of carbapenems in water samples by UHPLC–MS/MS

A rapid and reliable method for the detection of five carbapenems (biapenem, imipenem, doripenem, meropenem, and faropenem) in water was developed and validated. After acidification of water samples with acetic acid, carbapenems were isolated using a Bond Elut PPL cartridge. The target compounds were separated using ultra high performance liquid chromatography with a chromatographic run time of 5 min and detected on a triple quadrupole mass spectrometer operated in positive electrospray ionization and multiple reaction monitoring mode. Mean recoveries were in the range of 76.6–106.5%, with satisfactory intraday and interday relative standard deviations lower than 10.0 and 10.8%, respectively. The limits of detection and quantification were in the ranges of 0.05–0.2 µg/L and 0.1–0.5 µg/L, respectively, depending on the analyte. The proposed method was applied to the analysis of river samples and wastewater samples from swine farms, and no carbapenems were detected in the collected samples.     

The Exponential Law Between Dwell Time and the Strength of PBX Substitute Material

Polymer-bonded sugars (PBSs) can be used as a substitute material for polymerbonded explosives (PBXs) due to their ability to simulate the mechanical properties...     

Experimental study on the two-phase flow pattern and transformation characteristics of a flow mixing nozzle under a moderate flow rate

Meccanica - A flow mixing nozzle can produce satisfactory atomization for heavy oil. However, the study of the internal flow pattern of this nozzle, along with the spray morphology and its...     

Synergistic Effect of Lithocholic Acid with Gentamicin against Gram-Positive Bacteria but Not against Gram-Negative Bacteria

Listeria monocytogenes (L. monocytogenes) is an important Gram-positive food-borne pathogen that severely threatens public health. A checkerboard microdilution method was performed to evaluate the synergistic effect of lithocholic acid (LCA) with Gentamicin (Genta) against L. monocytogenes. BacLight LIVE/DEAD staining, scanning electron microscopy and biofilm inhibition assays were further used to explore the bactericidal effect and antibiofilm effect of this combination on L. monocytogenes. Additionally, the synergistic effects of LCA derivatives with Genta were also evaluated against L. monocytogenes, S. aureus and S. suis. The results indicated that a synergistic bactericidal effect was observed for the combined therapy of LCA at the concentration without affecting bacteria viability, with Genta. Additionally, LCA in combination with Genta had a synergistic effect against Gram-positive bacteria (L. monocytogenes, S. aureus and S. suis) but not against Gram-negative bacteria (E. coli, A. baumannii and Salmonella). BacLight LIVE/DEAD staining and scanning electron microscopy analysis revealed that the combination of LCA with Genta caused L. monocytogenes membrane injury, leading to bacteria death. We found that 8 μg/mL LCA treatment effectively improved the ability of Genta to eradicate L. monocytogenes biofilms. In addition, we found that chenodeoxycholic acid, as a cholic acid derivative, also improved the bactericidal effect of Genta against Gram-positive bacteria. Our results indicate that LCA represents a broad-spectrum adjuvant with Genta for infection caused by L. monocytogenes and other Gram-positive pathogens.     

Stock Index Prediction Based on Time Series Decomposition and Hybrid Model

The stock index is an important indicator to measure stock market fluctuation, with a guiding role for investors’ decision-making, thus being the object of much research. However, the stock market is affected by uncertainty and volatility, making accurate prediction a challenging task. We propose a new stock index forecasting model based on time series decomposition and a hybrid model. Complete Ensemble Empirical Mode Decomposition with Adaptive Noise (CEEMDAN) decomposes the stock index into a series of Intrinsic Mode Functions (IMFs) with different feature scales and trend term. The Augmented Dickey Fuller (ADF) method judges the stability of each IMFs and trend term. The Autoregressive Moving Average (ARMA) model is used on stationary time series, and a Long Short-Term Memory (LSTM) model extracts abstract features of unstable time series. The predicted results of each time sequence are reconstructed to obtain the final predicted value. Experiments are conducted on four stock index time series, and the results show that the prediction of the proposed model is closer to the real value than that of seven reference models, and has a good quantitative investment reference value.     

Potential Value of Wood Tar as a Natural Fungicide against Valsa mali

The Valsa canker caused by Valsa mali seriously harmed the production of East Asian apples and caused very significant economic losses. Considering the chemical residues and the improvement of people’s awareness of environmental protection, there is a need for screening new green pesticides for the control of Valsa canker. Therefore, we conducted systematic evaluations on the antifungal activity of wood tar. In this research, the effective concentration (EC₅₀) of six strains of V. mali to wood tar was determined, and the EC₅₀ ranged from 69.54 to 92.81 μg/mL. After treatment with wood tar, the hyphae of V. mali broke, swelled, and deformed; the permeability of the cell membrane increased; and the activity of pectinase reduced. Moreover, the expression levels of five genes related to pectinase also decreased significantly. In addition, the activities of phenylalanine ammonia lyase (PAL) and peroxidase (POD) of apple leaves treated with wood tar also increased. On detached apple branches, wood tar also showed therapeutic and protective activities. In the 2016–2019 field experiments, wood tar also showed good efficacy against Valsa canker and promoted the formation of callus. (In the experiments from 2016 to 2019, it can be seen that the control effect of 50% wood tar and 100% wood tar in the field is above 75% and promoted the formation of callus.) This study is the first to report the bidirectional efficacy of wood tar against Valsa mali and for trunk wound healing. The above results evidenced that wood tar has great potential to be developed as a natural alternative to commercial fungicides for the management of apple Valsa canker.