Correction to: Practical framework for data-driven RANS modeling with data augmentation

Acta Mechanica Sinica -     

基于Web of Science的河北大学科研论文统计分析

以Web of Science数据库为文献来源，利用文献计量学的方法，从文献年收录量、文献类型、语种、学科分布、作者分布、合作情况、来源期刊和引用情况等方面，对Web of Science收录河北大学2004—2013年的科研论文进行统计分析，结果表明：河北大学近10年来被Web of Science数据库收录的文献数量和被引频次呈现逐年上升的趋势，在化学、物理学、动物学和数学方面具有一定的科研能力和影响力，但同时应注重国际合作交流和文献的质量。     

新型4-羟色胺类化合物的合成及生物活性

以4-羟基吲哚为原料,经吲哚环4位乙酰基化、3位亲电取代、酰胺化和还原加氢等反应合成目标化合物7.通过核磁共振氢谱及碳谱对化合物进行结构表征,并对目标化合物进行体外抗氧化生物活性测试.初步生物活性测试结果表明,化合物7a,7b,7c和7d对DPPH·均有很强的清除作用(清除率为85.25%~90.73%),7e,7f,7g,7h作用较差;目标化合物与Vc相比,对·OH的清除作用稍差,最高清除率25.66%(Vc的最高清除率为34.67),但各化合物整体水平相当;在清除O-2·能力上化合物7a,7d,7g,7h最大清除率(分别为19.34,35.35,27.93和31.74)均强于同等浓度的Vc(17.58).     

Recyclable and reusable Pd(OAc)2/PPh3/PEG‐2000 system for homocoupling reaction of arylboronic acids under air without base

A stable and efficient Pd(OAc)₂/PPh₃/PEG‐2000 catalytic system for homocoupling of arylboronic acids has been developed. In the presence of Pd(OAc)₂ and PPh₃, the homocoupling reaction of arylboronic acids was carried out smoothly in PEG‐2000 at 70 °C under air without base to afford a variety of symmetric biaryls in good to excellent yields. The isolation of the products was readily performed by extraction with diethyl ether, and the Pd(OAc)₂/PPh₃/PEG‐2000 system could be easily recycled and reused six times without significant loss of catalytic activity. Copyright © 2014 John Wiley & Sons, Ltd.     

Investigations in the recrystallization of evolved gases from pyrolysis process of melamine

Journal of Thermal Analysis and Calorimetry - A complete analysis of the thermal process about melamine was presented, in which different methods were applied to determine the characteristic of the...     

盐酸伊达比星杂质A的合成工艺优化及其高效液相分析

通过对盐酸伊达比星脱羟基杂质A的合成研究，为盐酸伊达比星的质控标准提供参考。以盐酸伊达比星为起始原料，经过4步反应得到脱羟基杂质A。本文提供了盐酸伊达比星杂质A的制备方法以及高效液相色谱分析方法，为杂质含量控制提供了依据。该工艺可以稳定、快速制备高纯度脱羟基杂质A，制备总收率为57.20%，纯度为57.20%，其结构经¹H NMR， ¹³C NMR和MS(ESI)表征。     

基于生态交错带理论的生态环境潜在容量评估和预警研究——以重庆三峡库区为例

生态交错带是指两种不同类型的生态系统交界过渡的区域。基于生态交错带理论对重庆三峡库区的生态脆弱性状况进行了分析，并在此基础上运用道夫尼尔和地球环境的潜在指数M，计算人对地理环境的影响，评估土地类型和环境污染状态。通过对生态环境潜在容量指数E的修正评估了库区 22 个区县的生态环境潜在容量，并在此基础上做出预警研究，将其划分为急警、重警、中警、轻警和无警 5 种类型。最终得出重庆三峡库区生态环境状况两极化现象比较严重，发展不平衡，有些地区生态破坏较为严重，因此需要采取相应的对策进行优化发展。
     

Evaluation of Charged Defect Energy in Two-Dimensional Semiconductors for Nanoelectronics: The WLZ Extrapolation Method

Defects play a central role in controlling the electronic properties of two-dimensional (2D) materials and realizing the industrialization of 2D electronics. However, the evaluation of charged defects in 2D materials within first-principles calculation is very challenging and has triggered a recent development of the WLZ (Wang, Li, Zhang) extrapolation method. This method lays the foundation of the theoretical evaluation of energies of charged defects in 2D materials within the first-principles framework. Herein, the vital role of defects for advancing 2D electronics is discussed, followed by an introduction of the fundamentals of the WLZ extrapolation method. The ionization energies (IEs) obtained by this method for defects in various 2D semiconductors are then reviewed and summarized. Finally, the unique defect physics in 2D dimensions including the dielectric environment effects, defect ionization process, and carrier transport mechanism captured with the WLZ extrapolation method are presented. As an efficient and reasonable evaluation of charged defects in 2D materials for nanoelectronics and other emerging applications, this work can be of benefit to the community.