Geometrical Structures and Activities of Free Radical Scavenging Studies of Baicalein and Scutellarein

In order to study the free radical scavenging capacity and molecular structures of baicalein and scutellarein,the structure-activity relationship of these two molecules was analyzed.The geometric structures of the compounds were optimized by DMol3 code based on density functional theory.The theoretical parameters of the atomic charge distribution,the distribution of molecular frontier orbital,the energy difference and Fukui functions were calculated.Meantime,superoxide anion free radical and 1,1-diphenyl-2-picrylhydrazyl radical(DPPH)methods were used to determine the scavenging capacity of the compounds.The results showed that the scavenging rate of DPPH radicals and superoxide anion radicals increased with the increase of sample concentration,and had a dose-effect relationship.The radical-scavenging activities in the order of baicalein>scutellarein>BHT were showed.The p-π conjugation of the hydroxyl oxygen atom influenced the certain ability to repelling electrons in the molecular structures of baicalein and scutellarein based on the data of the atomic charge distribution,the distribution of molecular frontier orbital,the energy difference and Fukui functions.Hydroxyl groups were more susceptible to attack and exhibit free radical scavenging activity.The oxygen atom in the phenolic hydroxyl group of the molecule structure of the samples may be the reaction active sites where the electrophilic reaction occurred.These results offer useful theoretical bases for the research and application of antioxidant activities of substances containing such molecular structures.     

线性抛物方程的变网格各向异性双线性有限元方法

通过利用各向异性双线性元矩形剖分,结合变网格有限元思想,导出了线性抛物方程的全离散变网格各向异性双线性元有限元格式,并给出其L2模误差估计.     

Generation and classification of the translational shape-invariant potentials based on the analytical transfer matrix method

For the conventional translational shape-invariant potentials (TSIPs), it has demonstrated that the phase contribution devoted by the scattered subwaves in the analytical transfer matrix quantization condition is integrable and independent of n. Based on this fact we propose a novel strategy to generate the whole set of conventional TSIPs and classify them into three types. The generating functions are given explicitly and the Morse potential is taken as an example to illustrate this strategy.     

两种甲氧基苯基咔咯铜配合物的合成及光谱性质

合成了两个中位苯基上具有甲氧基取代基的铜咔咯配合物(Tp-OCH3PC)Cu和(To,p-(OCH3)2PC)Cu,通过紫外-可见、红外光谱、元素分析、核磁共振及质谱对它们进行了表征。研究了配合物在非水溶剂中的电子顺磁共振、电化学和光谱电化学性质,结果表明无论在固体状态还是在非水溶剂中,配合物的中心金属离子均为三价铜Cu(Ⅲ),在给定的溶剂中Cu(Ⅲ)可以发生可逆的还原反应生成Cu(Ⅱ),也可以被可逆氧化为Cu(Ⅲ)的阳离子自由基。探讨了甲氧基取代基以及溶剂对配合物的紫外-可见光谱和氧化还原电位的影响。     

相同电源并联问题的解法讨论

在解决相同电源串并联的问题时,课堂上类比电阻串并联直接给出求解公式,但学生在深入思考电路时会进入误区,文章提供了其他两种解法：分电路合成法和理想电源模型法,解决了学生的疑惑,并分析了各求解过程中的要点与难点,为物理教学提供了新的思路.     

基于量热法的大功率毫米波功率测量及校准系统设计

在百千瓦或兆瓦级大功率毫米波系统中一般采用量热法对输出的毫米波功率进行测量。针对百千瓦级长脉冲大功率毫米波系统功率测量的需要,开展了基于量热法的功率测量系统设计,利用吸收负载将入射的毫米波能量转换为热量,通过监测出入水口的温度和流量实现了大功率毫米波功率测量,并开展了重复性测试。为了实现量值溯源,提高测量系统的准确性,开展了能量标准装置的设计,并推导了能量测量误差。     

“割圆术”在高等数学教学设计中的体现

研究“割圆术”思想在高等数学教学中的教学设计,讨论基于“割圆术”思想在教学中设置疑问与思考的方法,并将“割圆术”作为重要极限的应用,推导出“割圆术”中的圆面积公式．     

大冷量气体轴承斯特林制冷机与杜瓦耦合漏热分析

对大冷量气体轴承斯特林制冷机及其与杜瓦耦合方式进行了论述,对插拔式杜瓦耦合漏热损失进行了理论计算及试验分析,结果表明,插拔式杜瓦耦合损失为76.1%,制冷量仅有2 W@80 K。经分析可知,制冷机冷指与杜瓦内胆之间产生的环隙漏热是影响耦合性能的主要因素,通过对环隙采用真空密封方式和减小环隙引起的漏热损失,耦合损失降至16.5%,制冷量提升至7 W@80 K。该耦合方式简单可靠,易于操作,满足制冷机可拆卸更换和维修的工程化需求。     

对称烷基咪唑离子液体单滴微萃取–气质联用测定天然香料中酯类成分

设计合成3种新型对称1,3-二正烷基咪唑六氟磷酸盐离子液体([DCn-IM][PF6],n=4,5,8).研究发现,离子液体热稳定性好,其憎水性和黏度随烷基碳原子数的增加而增加,但密度和极性却逐渐降低.以离子液体为顶空单滴萃取剂,分别考察了不同离子液体对5种酯类化合物的萃取性能.结果表明,离子液体的萃取率既受其黏度、憎水性和极性的影响,还与分析物本身的结构及性质密切相关.[DC4-IM][PF6]的萃取效率明显高于其他离子液体而被确定为萃取剂,并结合气质联用技术对萃取与分析条件进行优化.在0.36 g/mL NaCl溶液中,以1.0μL离子液体40℃萃取分析物35min后,250℃解吸1 min,得到富集倍数为260～1429,检出限为0.46～16.1μg/L.该方法应用于天然香料中5种酯类成分的同时测定,回收率为93.8%～108.9%,表明有高的灵敏度和准确性.     

CuSCN空穴传输层工艺对钙钛矿电池性能的影响

采用溶液法制备了硫氰酸亚铜(CuSCN)薄膜,并将其作为空穴传输层制备了平面n-i-p型钙钛矿太阳电池.系统考察了CuSCN薄膜退火温度、旋涂转速对钙钛矿太阳电池性能的影响.研究结果表明,CuSCN薄膜在70 ℃下退火10 min可以获得较好的电池性能;在此基础上通过调整旋涂转速至2000 r/min,控制CuSCN薄膜厚度约为240 nm,电池性能获得了进一步的提升,电池效率可达11.77;.该研究结果表明,CuSCN材料是一种有潜力的、低成本高性能无机空穴传输材料.