基于科学态度与社会责任的反向思维教学——以“元素化学”为例

“科学态度与社会责任”是《普通高中课程标准(2017年版)》提出的5大化学学科核心素养之一,但在课堂教学实践中对其的培养却往往流于形式和表面,使得学生并不能真正理解和认同化学学科与社会发展的密切关系。在元素化学的必修课和选修课课堂教学中进行了一系列的“反向思维”教学尝试,通过建立“当某种元素不存在”这一假设来引导学生思考此情境对社会生产生活的影响。通过此教学尝试,让学生在获得元素知识的同时,深刻认识元素价值,并理解化学科学与现代社会发展的重要关系,提升学生的社会使命感与责任感;使学生进一步树立科学利用元素资源和建设现代化祖国的远大志向。     

Theoretical investigations of spin-orbit coupling and intersystem crossing in reaction carbon dioxide activated by [Re(CO)2]+

In order to further explore the detailed reaction mechanism of carbon dioxide activated by [Re(CO)₂]⁺ complex, CCSD(T) methods was performed to determine related potential energy surface (PES). Crossing point is determined by using a partially optimized method. The result shows that larger spin-orbital coupling (155.37 cm⁻¹) and intersystem crossing probabilities in spin-forbidden region causes the electron to spin flip at the minimum energy crossing point and access to the lower singlet PES. Nonadiabatic rate constant k is estimated to be quite rapid, so transition state (¹TS1) is rate-controlled steps. In addition, the electronic structure of oxygen-atom transfer process is further analyzed by localized molecular orbital and Mayer bond order. The analysis finds that the form of main bonding orbital is the electron contribution from the p(O) in CO₂ to the empty d(Re) orbital.     

Chitosan‐modified graphene oxide as a modifier for improving the structure and performance of forward osmosis membranes

Chitosan (CS) with good hydrophilicity and charged property was used to modify graphene oxide (GO), the obtained GO‐CS was used as a novel modifier to fabricate thin film composite forward osmosis (FO) membranes. The results revealed that the amino groups on CS reacted with carboxyl groups on GO, and the lamellar structure of the GO nanosheets was peeled off by CS, resulting in the reducing of their thicknesses. The GO‐CS improved the hydrophilicity of polyethersulfone (PES) substrate, and their contact angles decreased to 64° with the addition of GO‐CS in the substrate. GO‐CS also increased the porosity of the substrate and surface roughness of FO membrane, thereby optimizing the water flux and reverse salt flux of FO membrane. The average water flux of the FO membrane reached the optimal flux of 21.34 L/(m² h) when GO‐CS addition was 0.5 wt%, and further addition of GO‐CS to the substrate would decrease the water flux of FO membrane, and the reverse salt flux also decreased to the lowest value of 2.26 g/(m² h). However, the salt rejection of the membrane increased from 91.4% to 95.1% when GO‐CS addition increased from 0.5 to 1.0 wt% under FO mode using 1 mol/L sodium chloride (NaCl) solution as draw solution (DS). In addition, high osmotic pressure favored water permeation, and at the same concentration of DS, magnesium chloride (MgCl₂) exhibited better properties than NaCl. These results all suggested that GO‐CS was a good modifier to fabricate FO membrane, and MgCl₂ was a good DS candidate.     

In Situ Dispersion of Palladium on TiO2 During Reverse Water–Gas Shift Reaction: Formation of Atomically Dispersed Palladium

The application of single‐atom catalysts (SACs) to high‐temperature hydrogenation requires materials that thermodynamically favor metal atom isolation over cluster formation. We demonstrate that Pd can be predominantly dispersed as isolated atoms onto TiO₂ during the reverse water–gas shift (rWGS) reaction at 400 °C. Achieving atomic dispersion requires an artificial increase of the absolute TiO₂ surface area by an order of magnitude and can be accomplished by physically mixing a precatalyst (Pd/TiO₂) with neat TiO₂ prior to the rWGS reaction. The in situ dispersion of Pd was reflected through a continuous increase of rWGS activity over 92 h and supported by kinetic analysis, infrared and X‐ray absorption spectroscopies and scanning transmission electron microscopy. The thermodynamic stability of Pd under high‐temperature rWGS conditions is associated with Pd‐Ti coordination, which manifests upon O‐vacancy formation, and the artificial increase in TiO₂ surface area.     

Optimization of Biocompatibility for a Hydrophilic Biological Molecule Encapsulation System

Despite considerable advances in recent years, challenges in delivery and storage of biological drugs persist and may delay or prohibit their clinical application. Though nanoparticle-based approaches for small molecule drug encapsulation are mature, encapsulation of proteins remains problematic due to destabilization of the protein. Reverse micelles composed of decylmonoacyl glycerol (10MAG) and lauryldimethylamino-N-oxide (LDAO) in low-viscosity alkanes have been shown to preserve the structure and stability of a wide range of biological macromolecules. Here, we present a first step on developing this system as a future platform for storage and delivery of biological drugs by replacing the non-biocompatible alkane solvent with solvents currently used in small molecule delivery systems. Using a novel screening approach, we performed a comprehensive evaluation of the 10MAG/LDAO system using two preparation methods across seven biocompatible solvents with analysis of toxicity and encapsulation efficiency for each solvent. By using an inexpensive hydrophilic small molecule to test a wide range of conditions, we identify optimal solvent properties for further development. We validate the predictions from this screen with preliminary protein encapsulation tests. The insight provided lays the foundation for further development of this system toward long-term room-temperature storage of biologics or toward water-in-oil-in-water biologic delivery systems.     

考虑车辆随机停放的停车楼减震设计与可靠度分析

在停车楼的设计中通常将车辆荷载以活荷载的方式均匀分布到结构上,实际上受车辆随机停放的影响,停车楼结构整体质量中心偏移,一旦结构遭遇罕遇地震时,车辆的随机停放可能造成停车楼结构发生扭转破坏.本文在传统减震设计方法的基础上考虑车辆活荷载的随机性,并从可靠度的角度验算减震结构在大震作用下的倒塌概率.结果表明,相同的减震设计布...     

热激活延迟荧光材料的光物理行为及性能预测

热激活延迟荧光(Thermally activated delayed fluorescence, TADF)材料由于三线态激子可通过反系间窜越(Reverse intersystem crossing, RISC)转换为单线态激子,在有机发光二极管(Organic light-emitting diodes, OLEDs)中理论上可达到100%的激子利用率而被广泛关注。但实验上开发设计高性能TADF材料较为复杂且研究周期较长,理论研究可以从本质上建立材料结构-性能的关系,预测材料的性质并提供一定的分子设计策略。本文围绕高性能TADF材料的开发,从发光原理出发,系统阐述了分子的设计策略及光物理参数如材料单-三线态能级差(Single-triplet energy gap,ΔE_ST)、系间/反系间窜越速率、吸收/发射光谱、辐射/非辐射速率等的计算原理、计算方法和研究进展。最后我们探讨了TADF材料理论研究面临的机遇和挑战,通过对TADF材料的理论研究综述和研究前景的展望,期待吸引更多的研究工作者,推动该领域的发展和突破。     

Double Feature Extraction Method of Ship-Radiated Noise Signal Based on Slope Entropy and Permutation Entropy

In order to accurately identify various types of ships and develop coastal defenses, a single feature extraction method based on slope entropy (SlEn) and a double feature extraction method based on SlEn combined with permutation entropy (SlEn&PE) are proposed. Firstly, SlEn is used for the feature extraction of ship-radiated noise signal (SNS) compared with permutation entropy (PE), dispersion entropy (DE), fluctuation dispersion entropy (FDE), and reverse dispersion entropy (RDE), so that the effectiveness of SlEn is verified, and SlEn has the highest recognition rate calculated by the k-Nearest Neighbor (KNN) algorithm. Secondly, SlEn is combined with PE, DE, FDE, and RDE, respectively, to extract the feature of SNS for a higher recognition rate, and SlEn&PE has the highest recognition rate after the calculation of the KNN algorithm. Lastly, the recognition rates of SlEn and SlEn&PE are compared, and the recognition rates of SlEn&PE are higher than SlEn by 4.22%. Therefore, the double feature extraction method proposed in this paper is more effective in the application of ship type recognition.     

反胶束法制备直接甲醇燃料电池Pt-Sn/C催化剂及其表征

在水/AOT/环己烷反胶束体系中, 制备了Pt-Sn/C催化剂, 研究了不同ω (反胶束溶液中水与表面活性剂的物质量之比)值对Pt-Sn粒径的影响. 并采用TEM, XRD, XPS, 循环伏安等技术对其进行表征. TEM结果表明合成的Pt-Sn纳米颗粒为球形, 在碳载体表面均匀分布, 粒径分布窄, 平均粒径为2.7 nm. Pt-Sn颗粒尺寸随着ω的增加而增大. XRD结果表明该催化剂中Pt具有面心立方结构且没有与Sn形成合金. XPS结果表明在该催化剂中, Pt主要以零价态存在. 在甲醇溶液中的循环伏安扫描结果表明, 甲醇氧化峰电位和峰电流随着ω的增加而减小, 说明反胶束方法可以通过控制颗粒尺寸, 从而影响催化剂的电氧化活性. 相对于商用Pt-Ru/Vulcan XC-72 (20 wt%, E-TEK公司), 该催化剂具有较低的峰电势以及较高的I_f/I_b (循环伏安曲线中正向扫描峰电流与反向扫描峰电流的比值), 这表明用此方法制备的Pt-Sn/C催化剂具有较好的抗中毒能力.     

Convolutional Neural Network Approach for Multispectral Facial Presentation Attack Detection in Automated Border Control Systems

Automated border control systems are the first critical infrastructure point when crossing a border country. Crossing border lines for unauthorized passengers is a high security risk to any country. This paper presents a multispectral analysis of presentation attack detection for facial biometrics using the learned features from a convolutional neural network. Three sensors are considered to design and develop a new database that is composed of visible (VIS), near-infrared (NIR), and thermal images. Most studies are based on laboratory or ideal conditions-controlled environments. However, in a real scenario, a subject’s situation is completely modified due to diverse physiological conditions, such as stress, temperature changes, sweating, and increased blood pressure. For this reason, the added value of this study is that this database was acquired in situ. The attacks considered were printed, masked, and displayed images. In addition, five classifiers were used to detect the presentation attack. Note that thermal sensors provide better performance than other solutions. The results present better outputs when all sensors are used together, regardless of whether classifier or feature-level fusion is considered. Finally, classifiers such as KNN or SVM show high performance and low computational level.