Sonochemical synthesis of mass single-crystal PbS nanobelts

Based on sonochemical technique, large-scale PbS nanobelts are successfully synthesized in the mixed solution of PbCl₂ and Na₂S₂O₃. These nanobelts are characterized using X-ray diffraction, scanning electron microscopy, transmission electron microscopy (TEM), selected area electronic diffraction, energy dispersive X-ray spectroscopy, and high-resolution TEM. The as-synthesized PbS nanobelts have width of about 80 nm, length up to several millimeters, and width-to-thickness ratio of about 5. In addition, the growth mechanism of PbS nanobelts is suggested.     

高效液相色谱法对反式-1,2-二取代环丙烷类化合物的手性拆分

在ＣｈｉｒａｌｃｅｌＯＤ和ＣｈｉｒａｌｃｅｌＯＪ柱上,以各种配比的正己烷／异丙醇为洗脱剂,对１３种反式－１,２－二取代环丙烷类化合物的对映体进行了手性拆分。考察了这些外消旋物在这两种柱上的色谱行为。实验表明带芳环的反式－１,２－二取代环丙烷类化合物在ＯＤ及ＯＪ柱上的拆分能力明显地与芳环上取代基的性质和位置有关。另一方面,一些带有脂族取代基的反式－１,２－二取代环丙烷类化合物也能在这两种柱上得到拆分。     

Thermodynamic Modeling of Actinide Complexation with Acetate and Lactate at High Ionic Strength

The stability constants of NpO ₂ ⁺ , UO ₂ ²⁺ Am³⁺, and Th⁴⁺ with acetate and lactate anions has been measured in 0.3–5.0m NaCl media at 25°C by the solvent extraction technique. For the 1:1 complexation, the values of the stability constants increased in the order: NpO ₂ ⁺ < Am³⁺ < ₂ ²⁺ < Th⁴⁺, in accordance with the actinide charge density and reflecting the strongly ionic bonding of the complexes. The Pitzer ionic interaction parameters were calculated and used to estimate the thermodynamic stability constants at I = 0. Because our data were collected mainly in the high ionic strength region values of ⁽¹⁾ were estimated from values reported in the literature. For all stability constants the Pitzer model gives an excellent representation of the data using three interaction parameters ⁽⁰⁾, ⁽¹⁾, and COn leave from Institute of     

化学化工虚拟仿真实验教学平台的建设与应用

Virtual simulation teaching is a new type of teaching mode in recent years, which is a fusion of multiple disciplines, multiple regions and multi-level laboratory teaching methods. Taking virtual simulation experiment platform construction of chemical engineering in Tianjin University as an example, this paper introduces the chemical safety knowledge, the integration of theoretical knowledge, the experimental content, the specific content of virtual simulation resources, and the characteristic of virtual simulation experiment platform. This platform provides a new model of efficient combination of virtual simulation resources and traditional teaching resources, which promotes the development of chemical laboratory teaching.     

“线上线下-虚实结合”在有机化学实验教学中的应用探索——以正溴丁烷的制备实验为例

In response to the impact of the Covid-19 epidemic on organic chemistry laboratory teaching, this article analyzes and discusses the current limitation of traditional organic chemistry laboratory teaching. Taking the "preparation of n-bromobutane" as an example, a new "online-offline and virtual-actual combination" teaching mode with the combination of "Tencent Meeting, MLabs, laboratory and WeChat group" is introduced. The practice of the new mode of teaching includes the following steps: pre-class online guiding by teacher, student preview and practice based on the virtual simulation platform, students and teacher discussion and operation in laboratory, and post-classcomprehensive assessment and Q&A", and good teaching effects have been received. It is significant in cultivating and improving the independent innovation and practical ability, and provides reference for the organic chemistry laboratory teaching reform and also lays a foundation for the construction of "outstanding course" of organic chemistry.     

Density functional theory study on the reaction mechanism of Ni+-catalysed cyclohexane dehydrogenation

Structural Chemistry - A detailed theoretical analysis of the mechanism of chemical bond activation in cyclohexane catalysed by the atomic transition-metal cation Ni+ was performed by density...     

Over 18% binary organic solar cells enabled by isomerization of non-fullerene acceptors with alkylthiophene side chains

Side-chain engineering has been demonstrated as an effective method for fine-tuning the optical, electrical, and morphological properties of organic semiconductors toward efficient organic solar cells (OSCs). In this work, three isomeric non-fullerene small molecule acceptors (SMAs), named BTP-4F-T2C8, BTP-4F-T2EH and BTP-4F-T3EH, with linear and branched alkyl chains substituted on the α or β positions of thiophene as the side chains, were synthesized and systematically investigated. The results demonstrate that the size and substitution position of alkyl side chains can greatly affect the electronic properties, molecular packing as well as crystallinity of the SMAs. After blending with donor polymer D18-Cl, the prominent device performance of 18.25% was achieved by the BTP-4F-T3EH-based solar cells, which is higher than those of the BTP-4F-T2EH-based (17.41%) and BTP-4F-T2C8-based (15.92%) ones. The enhanced performance of the BTP-4F-T3EH-based devices is attributed to its stronger crystallinity, higher electron mobility, suppressed biomolecular recombination, and the appropriate intermolecular interaction with the donor polymer. This work reveals that the side chain isomerization strategy can be a practical way in tuning the molecular packing and blend morphology for improving the performance of organic solar cells.

     

以类水滑石为前驱体的Cu/ZnO/Al2O3催化剂用于COx加氢合成甲醇：CO在反应混合物中的作用

近年来,催化CO₂加氢合成甲醇被视为有望解决温室效应和燃料枯竭的有效途径。目前,铜基催化剂因具有较高的反应活性被广泛应用于工业生产。然而,竞争逆水煤气变换反应产生的CO导致甲醇选择性较低,同时副产物水引起Cu发生不可逆烧结,进而降低甲醇产率。众所周知,CO能够调整分子的表面竞争吸附和活性位的氧化还原行为,本工作拟向原料气中掺入具有还原性的CO以抑制逆水煤气变换反应和防止表面氧化中毒。另一方面,通常认为铜基催化的CO₂加氢制甲醇是结构敏感性反应,不同的前驱体能够显著影响催化剂结构和形貌,进而影响催化活性。因此,我们首先通过共沉淀法和蒸氨法制备了含有类水滑石前驱体(CHT-CZA)和复合物前驱体(CNP-CZA)结构的Cu/ZnO/Al₂O₃催化剂。随后,为探究CO掺杂后反应机理,在250 ℃,5 MPa的反应条件下,含有不同比例CO的原料气中(CO₂:CO:H₂:N₂ = x:(24.5 - x):72.5:3)评价两种催化剂对甲醇合成的性能。评价结果显示两种催化剂反应性能趋势相同,随着CO含量增加,CO₂转化率和STY_H2O不断降低,STY_MeOH逐渐增加。X射线光谱(XPS)显示随CO含量增加,催化剂表面还原性Cu比例增加。评价和表征结果说明CO引入抑制了逆水煤气变换反应的发生,通过还原被H₂O氧化的活性Cu表面,促使更多的活性Cu位点暴露参与甲醇合成。另一方面,透射电镜(TEM)显示掺杂的CO会过度还原而引起颗粒团聚,导致催化剂逐渐失活。相比之下,含有水滑石前驱体的催化剂在任何气氛下均表现出更加优越的反应性能和长周期稳定性。这可归因于类水滑石前驱体独特的片层结构通过结构限域作用有效避免了因CO过度还原而导致的金属颗粒团聚,从而减少活性位点损失。     

Heterostructured MoS2/GPC anode: the synergistic lithium storage performance and lithiation kinetics

Journal of Solid State Electrochemistry - Grapefruit peel carbon (GPC) is prepared from waste grapefruit peel and further used as substrate for in situ construction of MoS2 arrays, forming MoS2/GPC...     

Prediction of allergic reaction risk of Shenmai injection based on real-world evidence coupled with UPLC–Q-TOF-MS

The allergic reaction (AR) of Chinese herbal injection (CHI) has become one of the most noticeable focuses of public health in China. However, it still remains a considerable controversy as to whether low-molecular-weight components in CHI have potential sensitization. In this study, the relationship between AR and low-molecular-weight component profile of Shenmai injection was explored by an interdisciplinary technology integrating real-world evidence and ultra-performance liquid chromatography–quadrupole time-of-flight mass spectroscopy (UPLC–Q-TOF-MS). The AR information of hospitalized patients was obtained by comprehensively analyzing real-world evidence from January 2015 to June 2019 at two Chinese hospitals. The UPLC–Q-TOF-MS was exploited to systematically investigate the low-molecular-weight component profile with 50–1500 m/z mass range, and 3725 MS1 peaks were detected. The optimized partial least squares discriminant analysis model was established to map the influence of low-molecular-weight components on AR. The results of this study showed that high levels of organic acids administered intravenously might be a potential risk factor for inducing AR. By using this method, Shenmai injection with high AR risk could be recognized precisely with 100% accuracy before clinical use.