婴幼儿奶瓶中迁移双酚A的高效液相色谱-电喷雾串联质谱检测方法研究

建立了婴幼儿奶瓶中双酚A(BPA)迁移量的高效液相色谱-电喷雾串联质谱(HPLC-ESI-MS/MS)测定方法。奶瓶食品模拟浸泡液经过弗罗里硅土玻璃层析柱净化,高效液相色谱分离,采用选择反应性监测模式(SRM)检测。以一级质谱得到的准分子离子m/z 227作为母离子,进行二级质谱(MS2)分析。选择MS2的碎片离子m/z 212、133、93定性确证,m/z 212作为定量离子定量。实验优化了质谱条件,并对二级质谱碎裂机理和特征离子进行了研究。测定结果的相对标准偏差不大于8.2%(n=7),回收率在87.7%～105%之间;检出限为2μg/L,能够满足欧盟、美国等对奶瓶中双酚A的限制要求。该法已成功应用于婴幼儿奶瓶中BPA迁移量的测定。     

亚临界情形下非线性裂纹转子的分叉与浑沌

分析非线性涡动裂纹转子中刚度变化比ΔＫ，裂纹角β，不平衡参数Ｕ对系统分叉及浑沌行为的影响。在转速区Ω＝２Ωｃ／３附近，当ΔＫ较大时，会出现分叉及浑沌现象，β对这些行为有很大影响，在Ω＝Ωｃ／２附近，当ΔＫ很大时，无论β为何值，将由拟周期通向浑沌，Ｕ作为一种外部因素，将使系统的非线性行为得到激发或抑制。     

锗(Ⅳ)─氨基酸息夫碱配合物的合成与表征

以水杨醛和ａ－氨基酸综合而成的息夫碱作为配体，与四氯化锗作生成型的佤合物，并通过元素分析，摩尔电导，红外光谱，核磁共振、紫外－可见光谱、热分析等手段研究了配合物的组成和性质。     

沿海港口表层沉积物中三丁基锡化合物的顶空固相微萃取气相色谱测定

利用顶空固相微萃取与气相色谱火焰光度检测法测定广东汕头港表层沉积物中的三丁基锡化合物(TBT) ,探索了样品的最佳超声处理时间、缓冲溶液 pH值及萃取时间 ,该法可方便、灵敏地测定沉积物中的三丁基锡 ,检出限达到0.28×10 -9(w)。     

吹扫捕集-气相色谱分析海水和沉积物中的苯、甲苯、乙苯及二甲苯

单环芳烃苯、甲苯、乙苯和二甲苯（简称BTEX）是石油的重要组分，也是环境中需要重点监测的致癌污染物。本实验建立了动态顶空（吹扫捕集）和光离子化检测器的气相色谱测量海水、沉积物中痕量BTEX的方法。在120—1200ng／L的浓度范围，苯、甲苯、乙苯、间对二甲苯及邻二甲苯标准溶液的检出限分别为6．4、35．2、15．8、12．3、10．7ng／L，相对标准偏差0．9％-6．1％。样品无需预处理，海水中BTEX回收率为93．50％-98．40％。7个渤海表层海水样品中BTEX的浓度均低于140ng／L；海底沉积物中苯、甲苯、乙苯、间对二甲苯及邻二甲苯浓度分别为169—1243、531—1732、1308—5624、237—1136、510—5194ng／L。测量方法和结果对评价环境污染具有重要意义。     

Magnetism in Cr doped ZnO: Density-functional theory studies

We investigate the magnetism in wurtzite and zinc-blende Zn_0.875Cr_0.125O (wz- and zb-Zn_0.875Cr_0.125O) using the density-functional theory calculations. We demonstrate that the delta-doping structures are more energetically favorable than the homogeneous-doping ones. The delta-doping structure of zb-Zn_0.875Cr_0.125O shows robust ground state ferromagnetism (FM) with ferromagnetic stabilization energy of 575 meV/Cr-Cr pair, while delta-doping structure of wz-Zn_0.875Cr_0.125O shows weak ground state anti-FM. We discuss the magnetic coupling in Zn_1−xCr_xO, and the origin of FM in zb-Zn_1−xCr_xO using a crystal field model. Finally, we anticipate the potential spintronics applications of the zb-Zn_1−xCr_xO.     

Structure and magnetism in Mn-doped zirconia: Density-functional theory studies

Using the first-principles density-functional theory plane-wave pseudopotential method, we investigate the structure and magnetism in 25% Mn substitutive- and interstitial-doped monoclinic, tetragonal, and cubic ZrO₂ systematically. Our studies show that the introduction of Mn impurities into ZrO₂ not only stabilizes the high-temperature phase, but also endows ZrO₂ with magnetism. Based on a simple crystal field model, we discuss the origination of magnetism in Mn-doped ZrO₂. Finally, we discuss the effect of electron donor on the magnetism.     

Monte-Carlo simulation of optical trap stiffness measurement

The high precision calibration of optical trap stiffness is the foundation of the weak force measurement in an optical tweezers system. And the accuracy of the trap stiffness measurement is limited by the bandwidth of the acquisition system. In this article, such an influence is analyzed and discussed. The stiffness measuring process using an acquisition system with a finite acquisition time is numerically simulated by using Monte-Carlo method. Then the simulated results are analyzed by thermal motion analysis method to deduce the trap stiffness for different trapping system and for measuring systems with different acquisition time. As a comparison the power spectrum analysis method is used to study the thermal motion of the bead and to compute the trap stiffness for the same acquisition system, from which it is concluded that the bandwidth of the acquisition system is determined by its acquisition time, not the sampling frequency. The influence of the finite acquisition time or the limited bandwidth on the trap stiffness measurement is discussed. The numerical simulation shows that the measured position, which is here the average position within the acquisition time, shifts to the trap center due to the trapping force, which gives an alternative interpretation for the deviation of the measured stiffness from the true trap stiffness.     

杂环息夫碱化合物及其过渡金属配合物的合成与表征

本文合成了一种新的双齿(N,O)杂环息夫碱2-(2′-羟基)苯甲亚胺-5-(4′-硝基)偶氮苯吡啶(HL)与过渡金属的六种新配合物ML_2及M′L_3 [M=Mn(Ⅱ)、Co(Ⅱ)、Ni(Ⅱ)、Cu(Ⅱ)、Pd(Ⅱ);M′=Fe(Ⅲ)].采用元素分析、摩尔电导、红外光谱、紫外—可见光谱、磁化率以及热分析等研究了配合物的组成和性质.