非晶聚对苯二甲酸乙二醇酯薄片在低温退火过程中的声发射现象

Acoustic emission during sub-Tg annealing fort amorphous polyethylene terephthalate (PET) sheet quenched from melt has been observed. The mechanical properties, texture and glass transition of annealed specimens have been studied. It is shown that some of PET chains change from non-equilibrium state to equilibrium state during sub-Tg annealing, which leads to stress concentration in specimen. When the level of internal stress approaches to the limit, the acoustic waves are emitted due to sudden releasing of stress and the micro-defects are for-med. This is one of the important reasons,the causes the loss of mechanical properties to an-nealed specimens.     

螺旋共轭分子2,2′-螺二茚-1,1′, 3,3′-四酮及其衍生物的二阶非线性光学性质与分子结构关系的研究

采用AM1和ZINDO系列方法研究了螺旋共轭分子2,2′-螺二茚-1,1′, 3,3′-四酮及其含氮衍生物的几何构型和各分子的稳定构型, 并以稳定构型为基础, 计算了这些分子的电子光谱、二阶非线性光学系数βμ, β0及电荷转移, 考察了取代基变化对βμ的影响. 计算结果表明, 所设计分子兼具较大的二阶非线性光学系数和较高的透过率, 有希望成为一类新型的二阶非线性光学材料.     

废弃生物质在超临界水中转化制氢过程的研究

以废弃生物质转化为富氢气体为目的，使用间歇式超临界水反应器，在反应温度773 K～923 K、压力15.5 MPa～34.5 MPa停留时间1 min～30 min和Ca/C摩尔比0～0.56范围内，对木屑在超临界水条件下生成的气体组成及产率进行了考察。实验表明，Ca/C摩尔比和温度对木屑转化的影响较大。当Ca/C摩尔比为0.48时，碳的气体转化率和氢气产率提高了近一倍。温度从773 K提高到923 K，碳的气体转化率由47％提高到76％，氢气产率由4.5 mmol/g上升到6.9 mmol/g。与温度相比，停留时间和压力的影响不大。     

萃取分光光度法测定废烟末中的尼古丁

本文在ｐＨ４．５的乙酸－乙酸钠缓冲溶液中，使烟碱与甲基橙生成稳定的黄色络合物，然后用二氯甲烷萃取。于λｍａｘ＝４３５ｎｍ处测定有机相的吸光度，烟碱浓度在０－６５μｇ／５ｍＬ范围内符合比尔定律，摩尔吸光系数为９．８％１０＾３Ｌ．ｍｏｌ＾－＾１．ｃｍ＾－＾１。方法快速，简便，应用于烟草中烟碱的定量分析，其加标回收率在８１－１０９％之间，相对标准偏差小于４．１％。     

Gas-phase spectroscopy of the unstable sulfur diisocyanate molecule S(NCO)2.

Sulfur diisocyanate is generated from a heterogeneous reaction of gaseous sulfur dichloride with silver cyanate and studied for the first time in the gas phase. Combined with quantum chemical calculations, the electronic structure is characterized by photoelectron spectroscopy (PES). Simultaneously, an investigation of the possible ionization and dissociation processes for the molecular cation is presented based on experimental soft ionization mass spectrometry. From the calculated bond-dissociation energies, the dissociation pathway is determined. S(NCO)2+ undergoes 1,3-sigmatropic rearrangement with a smaller barrier height (9.9 kcal mol(-1)) than the neutral counterpart. Thus, the 1,3-sigmatropic rearrangement is preferred for the molecular cation, and OCNCO+ and NS+ is produced by subsequent dissociation of the rearrangement product. The analysis agrees very well with the experimental mass spectrum.     

A Novel Method for Quantification of Circulating DNA in Serum by Capillary Zone Electrophoresis

In this paper, we first presented a novel method for quantification of circulating DNA in human serum based on capillary zone electrophoresis with laser-induced fluorescence detection (CZE-LIF). The serum was digested by proteinase to release free DNA, and then CZE-LIF system was used for the quantification of total circulating DNA. This method was successfully used to quantify the circulating DNA levels in sera from healthy individuals and certain cancer patients.We found the significantly elevated circulating DNA levels in certain prostate cancer patients. Our results demonstrated that CZE-LIF system has good linearity, excellent sensitivity (0.5 ng/mL DNA),satisfactory reproducibility (RSDs in one day and between days were both less than 5%) and reliability, and is well suitable to the quantification of the circulating DNA in human serum or plasma.     

甲醇氨化反应中交联皂石的催化行为

层柱材料是具有规则孔结构且其表面酸性及孔结构可调变的固体酸催化剂.本文合成了皂石,并用十三聚铝羟基络离子(Al_(13))与其交联,在醇氨化反应中研究了此层柱材料孔结构及表面酸性与催化性能间的关系.     

Gaseous nitryl azide N4O2: A joint theoretical and experimental study

Gaseous nitryl azide N₄O₂ is generated by the heterogeneous reaction of gaseous ClNO₂ with freshly prepared AgN₃ at −50 °C. The geometric and electronic structure of the molecule in the gas phase has been characterized by in situ photoelectron spectroscopy (PES) and quantum chemical calculations. The experimental first vertical ionization energy of N₄O₂ is 11.39 eV, corresponding to the ionization of an electron on the highest occupied molecular orbital (HOMO) {4a″(π_{nb(N4–N5–N6)})}⁻¹. An apparent vibrational spacing of 1600 ± 60 cm⁻¹ (ν_asO1N2O3) on the second band at 12.52 eV (π_{nb(O1–N2–O3)}) further confirms the preference of energetically stable chain structure in the gas phase. To complement the experimental results, the potential-energy surface of this structurally novel transient molecule is discussed. Both calculations and spectroscopic results suggest that the molecule adopts a trans-planar chain structure, and a five-membered ring decomposition pathway is more favorable.     

铂电极上异黄樟油和胡椒醛电氧化的SERS研究

采用循环伏安(CV)法和原位表面增强拉曼光谱(SERS)技术, 研究了非水体系中反应物异黄樟油和目标产物胡椒醛在粗糙铂电极上的电氧化行为, 发现胡椒醛在电位≥1.50 V时将进一步氧化, 而且从分子水平证实, 在胡椒醛的氧化电位(≥1.50 V) 下, 波长为632.8 nm的激光对胡椒醛的氧化有助催化作用. 由异黄樟油直接电氧化合成胡椒醛的电位(E)应控制在1.20 V相似文献   

利用室温固态反应制备球霰石型CaCO3粒子

合成形态、大小及结构可人为调控的无机材料是现代材料科学的重要研究方向[1]. 借助于各类有机添加剂及模板剂的调控作用, 可利用溶液合成方法制备出形貌与结构受到有效调控的无机粒子[2,3]. 室温固态化学反应已被成功地应用于多种无机纳米粒子[4]及纳米线[5]的合成, 并显示出高效、节能、无污染和操作简便等优点, 因而在材料合成领域具有应用前景[6].