Synthesis,characterization, DNA binding properties,and biological activities of a mixed ligand copper(II) complex of ofloxacin

A mixed ligand coordination compound of copper with ofloxacin (oflo) and phenanthroline (phen) has been synthesized and characterized by means of X-ray single crystal diffraction and spectroscopic methods. Structural features of the coordination compound are described. CD and CV studies of the interactions of the title complex with calf thymus DNA (CT-DNA) show that the complex can bind to CT-DNA by intercalation and electrostatic binding modes. Antibacterial activities of the title compound, a Cu–oflo complex reported earlier and free oflo have been studied against different microorganisms. Both copper complexes enhance the antibacterial activities of the quinolone drugs. The inhibitory effect of the three compounds on two cancer cell lines was measured and the results indicate that the title complex has strongest inhibitory effect.     

金属光栅用于增强非晶硅薄膜太阳能电池光吸收率研究

提高太阳能电池光电转换效率的一个重要途径就是提高它的光子吸收能力。在传统非晶硅薄膜太阳能电池中加入了金属光栅,设计出一种新的复合电池结构。基于严格耦合波分析矢量衍射理论计算了该结构的吸收光谱和增强因子;讨论了光栅宽度、入射光角度和入射光偏振态对吸收的影响。结果显示,设计的太阳能电池结构能够显著提高光的吸收率,在TM偏振光入射条件下,该结构的吸收增强因子最高可达40%;在其他偏振态光线入射时,其吸收增强因子也可达到16%左右。     

氢化物气相外延生长的GaN膜中的应力分析

对在c面蓝宝石上用氢化物气相外延法(HVPE)生长的六方相纤锌矿结构的GaN膜中的应力进行了分析。高分辨X射线衍射(002)面和(102)面摇摆曲线扫描(半高宽数值分别为317和358角秒)表明生长的GaN膜具有较好的晶体质量。利用高分辨X射线衍射技术准确测量了制备的GaN膜的晶格常数,并计算得到GaN膜中面内双轴应变和面外双轴应变分别为3.37×10-4和-8.52×10-4,等静压应变为-7.61×10-5。拉曼光谱和激光光致发光谱测试表明HVPE-GaN外延膜具有较好的光学特性,利用拉曼光谱的E₂模式特征峰和激光光致发光谱中近带边发射峰的频移定量计算了外延膜中的面内双轴压应力和等静压应力。两种方法得到的面内双轴压应力较为相符。     

单摆周期的系统误差分析

文章逐个分析计算了单摆的摆角、摆球的自转、摆线质量、空气浮力以及空气阻力对于单摆周期的影响,以1 m长5°小幅单摆为例,得到这5种因素带来的系统相对误差分别为+0.45‰、+0.02‰、-0.45‰、+0.07‰、-0.14‰,合计仅为-0.05‰,即这5种误差因素几乎相互抵消,小幅单摆实验在理论上的系统误差极小.文章给出了较为详细的推理、计算和分析过程,尤其空气阻力矩的推理过程以及图、表等,意在提供较为完整和准确的认识.文末,针对人们在空气阻力认识上可能存在的某些不足,文章给出了几点必要的说明.     

利巴韦林、磷酸氯喹、盐酸阿比多尔等抗病毒药物的红外光谱表征

自新冠肺炎(COVID-19)疫情爆发以来,国内外多家研究机构和企业都在加快推进新冠病毒(SARS-CoV-2)抗体药物的研发。药物多晶型限制了有效药物的研发进度。药物生产、存储和使用环境影响了药物的稳定性。红外光谱作为一种快速无损检测手段,可从振动光谱反映出药物结构、晶型甚至生产工艺上的差异大大提高了研发效率。首次以三种临床试验被认为治疗新冠肺炎有效药物：磷酸氯喹,利巴韦林和盐酸阿比多尔为例,利用傅里叶红外光谱仪测试得到它们在远红外(1～10 THz)和中红外(400～4 000 cm-1)波段的振动光谱。远红外光谱中,利巴韦林的特征峰位于：2.01,2.68,3.37,4.05,4.83,5.45,5.92,6.42和7.14 THz附近;磷酸氯喹的特征峰位于：1.26,1.87,2.37,3.06,3.78,5.09和6.06 THz附近;盐酸阿比多尔的特征峰位于：2.24,3.14,3.72,4.25和5.38 THz附近。结合密度函理论,选择B3LYP杂化泛函和6-311++G(d,p)基组,利用Crystal14和Gaussian16软件分析了光谱中所有特征峰对应的振动模式,实现了对振动光谱的精确指认。远红外波段,振动模式源自分子的集体振动。中红外波段,2 800 cm-1以下,振动模式主要源自基团的面内外弯曲和摇摆;2 800 cm-1以上,振动模式过渡为C—H,O—H和N—H键的面内伸缩。以考虑了周期性边界条件的晶体结构作为理论计算的初始构型,会让理论光谱与实验光谱更加吻合,尤其是在远红外波段和中红外400～1 000 cm-1的低频段。该研究对深入理解磷酸氯喹,利巴韦林和盐酸阿比多尔等抗病毒药物的药学特性,药物间相互作用,控制药物生产过程,指导药物存储和使用有重大意义。     

Strain-modulated anisotropic Andreev reflection in a graphene-based superconducting junction

We investigate the Andreev reflection across a uniaxial strained graphene-based superconducting junction. Compared with pristine graphene-based superconducting junction, three opposite properties are found. Firstly, in the regime of the interband conversion of electron-hole, the Andreev retro-reflection happens. Secondly, in the regime of the intraband conversion of electron-hole, the specular Andreev reflection happens. Thirdly, the perfect Andreev reflection, electron-hole conversion with unit efficiency, happens at a nonzero incident angle of electron. These three exotic properties arise from the strain-induced anisotropic band structure of graphene, which breaks up the original relation between the direction of velocity of particle and the direction of the corresponding wavevector. Our finding gives an insight into the understanding of Andreev reflection and provides an alternative method to modulate the Andreev reflection.     

Controllable Fabrication of TiO(2) 1D-Nano/Micro Structures: Solid, Hollow, and Tube-in-Tube Fibers by Electrospinning and the Photocatalytic Performance

The solid, hollow, and tube-in-tube porous nanofiber structures of TiO(2) are synthesized successfully by a simple non-coaxial electrospinning method without using a complicated coaxial jet head, combined with adjusting the concentration of the TiO(2) precursor and the pinhole diameter of the jet head and by final calcination. The formation mechanisms of different structured TiO(2) fibers are discussed in detail. This method is facile and effective, and easy to scale up. Furthermore, it is a versatile method for constructing tube-in-tube fibers of other metal oxides such as ZrO(2) , SiO(2) , SnO(2) , and In(2) O(3) . The photocatalytic activity of tubular TiO(2) nanofibers for the degradation of 2-chlorophenol and 2,4-dichlorophenol under UV or visible-light irradiation is better than the one of commercial available TiO(2) powder, rutile, and anatase TiO(2) fibers.     

Dawson型磷钨钼杂多酸的制备及其对H2O2氧化环己酮制己二酸的催化

采用水热法制备了新型H6P2W9Mo9O62.24H2O催化剂,并用UV-Vis、FT-IR和TG-DTA等测试技术对催化剂进行了表征。以微波促进30%过氧化氢氧化环己酮制备己二酸合成反应为探针,考察了催化剂的催化性能。通过正交实验探讨了几种因素对反应的影响,确定了优化工艺条件为:n(环己酮)∶n(过氧化氢)∶n(草酸)∶n(催化剂)=100∶400∶1.25∶0.25,反应温度100℃,微波辐射功率400 W,反应时间3.5 h,己二酸产品的收率达87.33%,纯度可达99.7%。反应结束后,将反应后含催化剂的溶液浓缩至一定浓度,催化产率降低,重复使用5次收率降低为45.89%。     

基于纳米MnO2-MWCNTs复合材料修饰的葡萄糖传感器

采用水热法制备了纳米MnO2,并用红外光谱,X射线衍射(XRD)和扫描电子显微镜(SEM)对其进行了表征。将碳纳米管和纳米MnO2分散在壳聚糖溶液中,用滴涂法固定到玻碳电极表面,制成修饰电极。利用计时电流法对该葡萄糖传感器的性能进行了研究,纳米MnO2-MWCNTs复合物对葡萄糖的氧化有明显的催化作用。在优化的条件下,葡萄糖在5.0×10-5～3.0×10-2mol/L浓度范围内,计时电流与浓度之间呈线性关系,检出限为1.5×10-5 mol/L(S/N=3)。对1.0×10-3 mol/L葡萄糖溶液平行测定8次的相对标准偏差(RSD)为2.1%。该传感器可成功用于葡萄糖注射液中葡萄糖的测定,回收率在96.4%～98.6%之间。     

对四类泻流问题的深入研究

对热学中的4类泻流问题进行了详细的计算,并对结果进行了分析讨论.恒温的泻流问题有解析的解,而绝热泻流问题往往受限于数学知识只能得到数值的结果;同时本文也对泻流的近平衡态条件进行了大致的分析.这些将有助于广大师生对于泻流问题的全面认识.