Photodegradation mechanisms of acyclovir in water and the toxicity of photoproducts

Journal of Radioanalytical and Nuclear Chemistry - In the present work the final products of coumarin radiation chemical transformation are investigated by chromatography. During radiolysis of...     

准晶体结构光纤表面等离子体共振传感器特性研究

光纤表面等离子体共振传感器在高灵敏度传感和在线实时监测等领域具有重要意义. 设计了一种六重准晶体结构环形通道光纤表面等离子体共振传感器, 基于有限元法对该传感器的传感特性进行了数值模拟. 研究了光纤各结构参量对传感器特性的影响规律. 研究结果表明: 待测液折射率的有效监测范围为1.25–1.331, 最高灵敏度可达26400 nm·RIU^-1, 传感器具有损耗谱杂峰少、探测范围广、灵敏度高、设计灵活性高和光路可弯曲等特点, 在生化检测、公共安全、环境污染监测以及高灵敏度传感等领域具有广泛的应用前景.     

堆积的胸腺嘧啶体系光物理失活的动力学模拟

采用半经典动力学方法模拟了π堆积的胸腺嘧啶体系最低激发态的光物理失活过程.设置激光脉冲仅作用于一个胸腺嘧啶分子T,另一胸腺嘧啶分子T’保持基态.模拟发现由于T与T’之间存在π堆积相互作用,导致电荷转移,形成T带负电荷、T’带正电符的激基复合物.由于相邻分子的空间效应阻碍了激发的T分子到达圆锥相交所必需的强烈扭曲,激基复合物的寿命比单体增长.当分子间距离缩短至0.3 nm后,T分子C₅—C₆键扭曲程度最大,此时发生电荷重组,两个胸腺嘧啶分子均恢复电中性.电荷重组诱导T’分子发生畸变,并在C₅’—C₆’扭曲最大时避免相交,体系衰减至基态,T和T’分子均恢复平面构型.     

高质量CdTe量子点的水相快速合成

系统考察了水相合成CdTe量子点的主要影响因素, 通过改变无水乙醇-水体系的体积, 提高NaHTe的合成质量, 并调整反应温度, 改变反应的初始pH值, 在水相中快速合成了量子产率高、粒径分布范围窄的CdTe量子点, 实现了对量子点发光性质的调控, 在最佳条件(无水乙醇3 mL, 水1 mL, 反应初始pH 8.0, 反应温度40 ℃)下, 最高量子产率达68%. 量子点胶体溶液在回流过程中有时产生白色沉淀, 放置7 d后, 未过滤白色沉淀的量子点比过滤后的量子点荧光强度提高15%, 白色沉淀还有减小粒径分布的作用.     

Fluorescence Properties of Europium and Terbium Triundecylenate-Containing Polymers and Solutions

Europium triundecylenate, Eu(UA)₃, and terbium triundecylenate, Tb(UA)₃, were prepared by the method described in our previous paper. Either Eu(UA)₃ or Tb(UA)₃ was dissolved in methacrylic acid (<20%) and copolymerized as a crosslinker with methyl methacrylate (>80) by bulk polymerization in molds made of two glass plates. The fluorescence spectroscopy of these Eu- or Tb-containing polymers under ultraviolet/visible excitation light was investigated. The fluorescence spectroscopy of solutions of Eu(UA)₃ or Tb(UA)₃ in methacrylic acid was measured and compared with that of the solid-state Eu- or Tb-containing polymers. The fluorescence excitation and emission spectra of the solutions and polymers showed the characteristic features of free Eu³⁺ or Tb³⁺. The lifetime fluorescence of the solutions and polymers with Eu³⁺ are also included.     

Ni掺杂对Ni/MgO体系中电荷分配影响

采用密度泛函理论(DFT)计算方法,研究了载体Ni掺杂对Ni/MgO催化剂的电子结构及其对CH_4/CO_2重整反应的影响。结果显示,随着载体Ni:Mg比的增加,CH_4解离吸附和CH_x氧化过程的反应能垒均会随之升高,CH也更容易产生热解C,从而导致催化剂的活性和稳定性的下降。通过分析重整过程的Hirshfeld电荷分配,发现金属载体之间电子转移的方向会随着载体中Ni含量的上升由载体向Ni金属转移变为由Ni金属向载体转移。当Ni金属富电子时,反应物活化时电子的转移主要发生在表层Ni原子与吸附物种之间,参与氧化的CH_x物种为CH_2;当Ni金属缺电子时,反应物活化时Ni簇的电子结构基本保持稳定,电子主要在载体表层的Ni原子与反应物之间转移,CH是主要参与氧化的CH_x物种。     

光谱法研究文多灵碱与牛血清白蛋白的键合

利用荧光增敏光谱法结合紫外光谱法研究了文多灵碱与牛血清白蛋白的相互作用.实验所得到的热力学参数表明维持药物与蛋白质的相互作用力主要是疏水作用和氢键(依据范德霍夫公式计算得△H0与△S0的值分别为-9.03kJ·mol-1和76.83J·mol-1·K-1).根据荧光增敏的有关方程分别求得不同温度下(298K,308 K和318K)药物与蛋白相互作用的结合常数及结合位点数;从紫外光谱获得的信息定性地讨论了药物与蛋白的相互作用时药物对蛋白微环境的影响.且利用Foerster能量转移理论,求得药物与蛋白间的键合距离为6.62nm.此外,基于文多灵碱的荧光敏化效应,首次探讨了药物-蛋白质体系的几种物理化参数,包括电荷密度、离解常数(pKa)及量子产率的变化效应,及共存离子对药物-蛋白质体系结合常数的影响.     

新型全固态准晶体结构大模场光纤特性研究

大模场单模光纤在高功率激光器、高功率光传输和高灵敏度传感器等领域具有重要意义.设计了一种新型超低损耗大模场单模光纤,包层空气孔由掺氟硅玻璃棒代替,掺氟硅玻璃棒排列呈六重准晶体结构.基于有限元法对光纤的传输特性进行了数值模拟.研究了光纤结构参量变化对模式特性和有效模场面积的影响.结果表明:波长在1064 nm处,有效模场面积高达5197μm2,基模的限制性损耗低于10-5dB/km,解决了大模场与低损耗之间的冲突;在1064—2000 nm波段内,基模与二阶模的限制性损耗相差7个量级,实现单模传输;半径为10 cm时,弯曲损耗小于0.01 dB/m,具有良好的低弯曲损耗特性.此光纤能够提高光纤热损伤阈值,减少接续损耗,全固态结构有效避免了空气孔塌陷,简化制备工艺,对高功率激光传输、光纤激光器和光纤放大器的发展具有重要意义.     

Comparative Spermatology of Protura and Its Significance on Proturan Systematics

A comparative study on the ultrastructure of the spermatozoa of 20 species of Protura belonging to 16 genera and 8 families was conducted. The most remarkable characteristics are the unexpected diversity of the spermatozoa, both in shape and fine structure. In general they can be grouped into two main categories: long flagellate spermatozoa and short aflagellate ones. Accordingly two sperm evolutionary lines of the spermatozoa were obtained: one trends towards the complicated acrosome structure and the increased number of axonemal doublets, and the other line is to shorten cell form and simplify sperm structure. The results indicate that the spermatozoa of Hesperentomon may be the primitive type, and the spermatozoa of Eosentomids probably represent the most evolved type. A sperm evolutionary tree was drawn according to the apomorphies of proturan spermatozoa. The phylogenetic position of Protura was also discussed.