Molecular Simulation to Explore the Dissolution Behavior of Sulfur in Carbon Disulfide

Soluble sulfur (S₈) and insoluble sulfur (IS) have different application fields, and molecular dynamics simulation can reveal their differences in solubility in solvents. It is found that in the simulated carbon disulfide (CS₂) solvent, soluble sulfur in the form of clusters mainly promotes the dissolution of clusters through van der Waals interaction between solvent molecules (CS₂) and S₈, and the solubility gradually increases with the increase in temperature. However, the strong interaction between polymer chains of insoluble sulfur in the form of polymer hinders the diffusion of IS into CS₂ solvent, which is not conducive to high-temperature dissolution. The simulated solubility parameter shows that the solubility parameter of soluble sulfur is closer to that of the solvent, which is consistent with the above explanation that soluble sulfur is easy to dissolve.     

Visible-light-induced,autopromoted nickel-catalyzed three-component arylsulfonation of 1,3-enynes and mechanistic insights

A light-induced, nickel-catalyzed three-component arylsulfonation of 1,3-enynes in the absence of photocatalyst is reported.This methodology exhibited mild conditions, broad scope and high efficiency, and its synthetic utility has been demonstrated by a concise total synthesis of sulfone-containing drug molecule. Detailed mechanistic studies indicated that this light induced nickel catalysis is autopromoted by in situ produced allene, which plays a key role as co-ligand in the photoactive excite...     

The Influence of Tyrosol-Enriched Rhodiola sachalinensis Extracts Bioconverted by the Mycelium of Bovista plumbe on Scopolamine-Induced Cognitive,Behavioral, and Physiological Responses in Mice

Alzheimer’s disease (AD) is an age-related neurodegenerative disorder characterized by cognitive deficits, which are accompanied by memory loss and cognitive disruption. Rhodiola sachalinensis (RSE) is a medicinal plant that has been used in northeastern Asia for various pharmacological activities. We attempted to carry out the bioconversion of RSE (Bio-RSE) using the mycelium of Bovista plumbe to obtain tyrosol-enriched Bio-RSE. The objective of this study was to investigate the effects of Bio-RSE on the activation of the cholinergic system and the inhibition of oxidative stress in mice with scopolamine (Sco)-induced memory impairment. Sco (1 mg/kg body weight, i.p.) impaired the mice’s performance on the Y-maze test, passive avoidance test, and water maze test. However, the number of abnormal behaviors was reduced in the groups supplemented with Bio-RSE. Bio-RSE treatment improved working memory and avoidance times against electronic shock, increased step-through latency, and reduced the time to reach the escape zone in the water maze test. Bio-RSE dramatically improved the cholinergic system by decreasing acetylcholinesterase activity and regulated oxidative stress by increasing antioxidant enzymes (superoxide dismutase (SOD) and catalase (CAT)). The reduction in nuclear factor erythroid 2-related factor 2 (Nrf2)/heme oxygenase-1 (HO-1) signaling in the brain tissue due to scopolamine was restored by the administration of Bio-RSE. Bio-RSE also significantly decreased amyloid-beta 1–42 (Aβ1–42) and amyloid precursor protein (APP) expression. Moreover, the increased malondialdehyde (MDA) level and low total antioxidant capacity in Sco-treated mouse brains were reversed by Bio-RSE, and an increase in Nrf2 and HO-1 was also observed. In conclusion, Bio-RSE protected against Sco-induced cognitive impairment by activating Nrf2/HO-1 signaling and may be developed as a potential beneficial material for AD.     

Electrochemical Immunoassay for Tumor Marker CA19-9 Detection Based on Self-Assembled Monolayer

A CA19-9 electrochemical immunosensor was constructed using a hybrid self-assembled membrane modified with a gold electrode and applied to detect real samples. Hybrid self-assembled membranes were selected for electrode modification and used to detect antigens. First, the pretreated working electrodes were placed in a 3-mercaptopropionic acid (MPA)/β-mercaptoethanol (ME) mixture for 24 h for self-assembly. The electrodes were then placed in an EDC/NHS mixture for 1 h. Layer modification was performed by stepwise dropwise addition of CA19-9 antibody, BSA, and antigen. Differential pulse voltammetry was used to characterize this immunosensor preparation process. The assembled electrochemical immunosensor enables linear detection in the concentration range of 0.05–500 U/mL of CA19-9, and the detection limit was calculated as 0.01 U/mL. The results of the specificity measurement test showed that the signal change of the interfering substance was much lower than the response value of the detected antigen, indicating that the sensor has good specificity and strong anti-interference ability. The repeatability test results showed that the relative standard deviations were less than 5%, showing good accuracy and precision. The CA19-9 electrochemical immunosensor was used for the actual sample detection, and the experimental results of the standard serum addition method showed that the RSD values of the test concentrations were all less than 10%. The recoveries were 102.4–115.0%, indicating that the assay has high precision, good accuracy, and high potential application value.     

在溴代十六烷基吡啶存在下5-Br-PADAP分光光度法测定水中微量铁的研究

研究了显色剂2-(5-溴-2-吡啶偶氮)-5-二乙氨基酚(简称为5-Br-PADAP)与铁(Ⅱ)显色反应条件,在pH=6.0的醋酸-醋酸钠缓冲体系中,采用阳离子表面活性剂溴代十六烷基吡啶增溶增敏。铁(Ⅱ)与显色剂形成的配合物组成为Fe(Ⅱ)∶R=1∶2,络合物具有两个吸收峰,分别位于λ1=556nm与λ2=748nm。选择748nm进行测定,其摩尔吸光系数为ε748=3.3×104L·mol-1·cm-1。铁含量在0—30μg/25mL范围内服从比耳定律。此法用于水样中微量铁的测定,结果准确可靠。     

Robust Nonparametric Function Estimation for Errors-in-variables Models

This paper discusses robust nonparametric estimators of location regression function for errorsin-variables model with de-convolution kernel. The local constant smoother is used for the estimation of the nonparametric function, and the local linear smoother is proposed to deal with the boundary problem, as well as to improve the local constant smoother. We establish the asymptotic properties of the estimator, the influence function of the statistical functional and the breakdown point. A simulat...     

响应面方法的硅刻蚀工艺优化分析（英）

利用响应面分析方法优化了用于压力传感器硅敏感芯体的刻蚀操作条件。主要考虑了温度、KOH浓度和腐蚀时间三个操作参数,将它们的范围分别设定为40~60 ℃,0.4~0.48 mol/L 和 5~12.5 h,并设定各向异性腐蚀速率为响应值。通过建立二次方模型,分析这些参数的单独影响以及多个操作条件之间对腐蚀速率的相互交叠作用。分析结果表明：模型可以精确预测99%的响应值,相比于腐蚀时间,溶液浓度和工作温度对刻蚀速率的影响更为明显。     

Fluorination of Terminal Groups Promoting Electron Transfer in Small Molecular Acceptors of Bulk Heterojunction Films

The fluorination strategy is one of the most efficient and popular molecular modification methods to develop new materials for organic photovoltaic (OPV) cells. For OPV materials, it is a broad agreement that fluorination can reduce the energy level and change the morphology of active layers. To explore the effect of fluorination on small molecule acceptors, we selected two non-fullerene acceptors (NFA) based bulk heterojunction (BHJ) films, involving PM6:Y6 and PM6:Y5 as model systems. The electron mobilities of the PM6:Y5 and PM6:Y6 BHJ films are 5.76 × 10⁻⁷ cm²V⁻¹s⁻¹ and 5.02 × 10⁻⁵ cm²V⁻¹s⁻¹ from the space-charge-limited current (SCLC) measurements. Through molecular dynamics (MD) simulation, it is observed that halogen bonds can be formed between Y6 dimers, which can provide external channels for electron carrier transfer. Meanwhile, the “A-to-A” type J-aggregates are more likely to be generated between Y6 molecules, and the π–π stacking can be also enhanced, thus increasing the charge transfer rate and electron mobility between Y6 molecules.     

激光诱导环氧玻璃钢等离子体电子密度测量（英）

利用马赫曾德尔干涉测量系统采集到等离子体的激光干涉图像。为了提高数据处理的精度,应用了改进的数字式二次曝光傅里叶法从干涉图中获取了初始的缠绕相位,并采用改进的基于掩膜与枝切法的相位解缠算法对缠绕相位进行相位解缠。在对解缠相位做Abel逆变换后,得到了不同延时时刻下激光诱导环氧玻璃钢等离子体电子密度的空间分布。结果显示：测量得到的电子密度主要为1018 cm-3数量级。实验表明,在记录的时间范围内激光等离子体的电子总数变化不大,且电子密度的变化与等离子体体积的变化大致成反比。