Impact of Imine Bond Orientations on the Geometric and Electronic Structures of Imine-based Covalent Organic Frameworks

Many efforts are currently devoted to improving the stability and crystallinity of imine-based two-dimensional (2D) covalent organic frameworks (COFs) given their wide range of potential applications. The variation in the relative orientations of the imine bonds has been found to be a critical factor that impacts the stacking of the 2D COF layers, leads to the formation of isomer structures, and influences the crystallinity of the final product. Most investigations to date have focused only on the structural properties, while the role of the imine orientations on the electronic properties has not been studied systematically. Here, we explore this effect by examining how the electronic band structures, electronic couplings, and effective masses evolve when considering four isomeric structures of an imine-linked tetraphenyl-pyrene naphthalene-diimide COF. Our results provide an understanding of the impact of the imine orientations and how they need to be controlled to realize COF inter-layer stackings that can lead to efficient cross-plane electron transport. They can be used to guide the design and synthesis of imine-based COFs for applications where charge transport needs to be optimized.     

AP Shadow Net: A Remote Sensing Shadow Removal Network Based on Atmospheric Transport and Poisson’s Equation

Shadow is one of the fundamental indicators of remote sensing image which could cause loss or interference of the target data. As a result, the detection and removal of shadow has already been the hotspot of current study because of the complicated background information. In the following passage, a model combining the Atmospheric Transport Model (hereinafter abbreviated as ATM) with the Poisson Equation, AP ShadowNet, is proposed for the shadow detection and removal of remote sensing images by unsupervised learning. This network based on a preprocessing network based on ATM, A Net, and a network based on the Poisson Equation, P Net. Firstly, corresponding mapping between shadow and unshaded area is generated by the ATM. The brightened image will then enter the Confrontation identification in the P Net. Lastly, the reconstructed image is optimized on color consistency and edge transition by Poisson Equation. At present, most shadow removal models based on neural networks are significantly data-driven. Fortunately, by the model in this passage, the unsupervised shadow detection and removal could be released from the data source restrictions from the remote sensing images themselves. By verifying the shadow removal on our model, the result shows a satisfying effect from a both qualitative and quantitative angle. From a qualitative point of view, our results have a prominent effect on tone consistency and removal of detailed shadows. From the quantitative point of view, we adopt the non-reference evaluation indicators: gradient structure similarity (NRSS) and Natural Image Quality Evaluator (NIQE). Combining various evaluation factors such as reasoning speed and memory occupation, it shows that it is outstanding among other current algorithms.     

干、湿大气环流模式中地表增温的经向分布及其机制

使用耦合了平板海洋的三维大气环流模式,探究理想条件下极地增温放大现象的产生机制。实验中关闭海冰和云的辐射效应,固定地表反照率,并将海洋经向热量输送设置为零。通过控制地表蒸发的有无,模拟湿大气和干大气两种情形。模拟结果显示,CO2浓度加倍后,湿大气环流模式中存在极地增温放大的现象,而干大气环流模式中不存在这种现象。在干大气环流模式中,地表增温幅度基本上不随纬度变化,即均匀增温。湿大气环流模式中,CO2浓度加倍导致的直接辐射强迫和水汽反馈导致的辐射效应都是热带比极地更强,唯一能够解释湿大气中极地增温放大原因的是从赤道向极地的大气能量传输增强。在干大气环流模式中,从赤道向极地的热量输送及其变化比湿大气弱很多,因此无法支持极地增温放大现象。干大气中的均匀增温是CO2的直接辐射强迫和普朗克效应相互竞争的结果。研究结果表明,与水汽相关的经向热量输送是地球极地增温放大的关键因素,而在基本上没有水汽的火星上,可能不会出现极地增温放大现象。     

Pentapeptide-Zinc Chelate from Sweet Almond Expeller Amandin Hydrolysates: Structural and Physicochemical Characteristics,Stability and Zinc Transport Ability In Vitro

To promote the application of almond expellers, sweet almond expeller globulin (amandin) was extracted for the preparation of bioactive peptides. After dual enzymatic hydrolysis, Sephadex G-15 gel isolation, reverse-phase high-performance liquid chromatography purification and ESI-MS/MS analysis, two novel peptides Val-Asp-Leu-Val-Ala-Glu-Val-Pro-Arg-Gly-Leu (1164.45 Da) and Leu-Asp-Arg-Leu-Glu (644.77 Da) were identified in sweet almond expeller amandin hydrolysates. Leu-Asp-Arg-Leu-Glu (LDRLE) of excellent zinc-chelating capacity (24.73 mg/g) was selected for preparation of peptide-zinc chelate. Structural analysis revealed that zinc ions were mainly bonded to amino group and carboxyl group of LDRLE. Potential toxicity and some physicochemical properties of LDRLE and Val-Asp-Leu-Val-Ala-Glu-Val-Pro-Arg-Gly-Leu (VDLVAEVPRGL) were predicted in silico. The results demonstrated that both LDRLE and VDLVAEVPRGL were not toxic. Additionally, zinc solubility of LDRLE-zinc chelate was much higher than that of zinc sulphate and zinc gluconate at pH 6.0–10.0 and against gastrointestinal digestion at 37 °C (p < 0.05). However, incubation at 100 °C for 20–60 min significantly reduced zinc-solubility of LDRLE-zinc chelate. Moreover, the chelate showed higher zinc transport ability in vitro than zinc sulphate and zinc gluconate (p < 0.05). Therefore, peptides isolated from sweet almond expeller amandin have potential applications as ingredient of zinc supplements.     

Aggregation-Induced Intermolecular Charge Transfer Emission for Solution-Processable Bipolar Host Material via Adjusting the Length of Alkyl Chain

Molecules with donor–spacer–acceptor configuration have been developed rapidly given their peculiar properties. How to utilize intermolecular interactions and charge transfers for solution-processed organic light-emitting diodes (OLEDs) greatly relies on molecular design strategy. Herein, soluble luminophores with D-spacer-A motif were constructed via shortening the alkyl chain from nonane to propane, where the alkyl chain was utilized as a spatial linker between the donor and acceptor. The alkyl chain blocks the molecular conjugation and induces the existence of aggregation-induced intermolecular CT emission, as well as the improved solubility and morphology in a solid-state film. In addition, the length of the alkyl chain affects the glass transition temperature, carrier transport and balance properties. The mCP-3C-TRZ with nonane as the spacer shows better thermal stability and bipolar carrier transport ability, so the corresponding solution-processable phosphorescent organic light-emitting diodes exhibit superior external quantum efficiency of 9.8% when using mCP-3C-TRZ as a host material. This work offers a promising strategy to establish a bipolar host via utilizing intermolecular charge transfer process in an aggregated state.     

A Calculation Method of Passenger Flow Distribution in Large-Scale Subway Network Based on Passenger–Train Matching Probability

The ever-increasing travel demand has brought great challenges to the organization, operation, and management of the subway system. An accurate estimation of passenger flow distribution can help subway operators design corresponding operation plans and strategies scientifically. Although some literature has studied the problem of passenger flow distribution by analyzing the passengers’ path choice behaviors based on AFC (automated fare collection) data, few studies focus on the passenger flow distribution while considering the passenger–train matching probability, which is the key problem of passenger flow distribution. Specifically, the existing methods have not been applied to practical large-scale subway networks due to the computational complexity. To fill this research gap, this paper analyzes the relationship between passenger travel behavior and train operation in the space and time dimension and formulates the passenger–train matching probability by using multi-source data including AFC, train timetables, and network topology. Then, a reverse derivation method, which can reduce the scale of possible train combinations for passengers, is proposed to improve the computational efficiency. Simultaneously, an estimation method of passenger flow distribution is presented based on the passenger–train matching probability. Finally, two sets of experiments, including an accuracy verification experiment based on synthetic data and a comparison experiment based on real data from the Beijing subway, are conducted to verify the effectiveness of the proposed method. The calculation results show that the proposed method has a good accuracy and computational efficiency for a large-scale subway network.     

HLS储存环光学参数与聚焦结构参数间的微分关系

研究了合肥光源（HLS）储存环光学参数和聚焦结构参数间的微分关系,在改变三个输运线上游的光学参数时,计算和分析了下游各个聚焦结构参数。并且利用获得的表达式,结合合肥国家同步辐射实验室的实际改造需要,给出在满足插入件运行条件的情况下的各个聚焦结构参数。设计了能降低Wiggler插入点处横向振荡振幅函数的Lattice结构。     

束流输运理论的新表述（II）——线性力的检验

用数值方法在恒定和周期线性力情况下对纯粹和混合系统检验了我们在文献[1]中所提出的输运理论框架的可靠性和优越性。结果表明,该理论的数值计算和常用的粒子跟踪模拟完全一致,但计算时间少,误差涨落小。     

一种消色差等时性强流束三磁铁偏转系统

描述了一种由三块二极磁铁组成,无四极透镜的消色差等时性磁偏转系统及其设计方法。根据该系统有关色差性和时差性的关系式与TRACE 3D程序,设计了一个40MeV 、200A电子束的135°偏转系统,该系统显示了良好的消色差性和等时性。     

基于几何区域分解的三维输运问题并行迭代算法

对三维直角坐标下的输运隐式差分方程,研究了基于几何区域分解的并行迭代算法,给出了串、并行迭代误差估计.并对相关数值结果进行了分析、比较.