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981.
A headspace solid-phase microextraction method has been developed for the determination of 8 pesticides in vegetables and fruits by using gas chromatography with an electron capture detector. Two types of fibers (polyacrylate, 85 microm and polydimethylsiloxane, 100 microm) have been assayed and compared. The main factors: extraction and desorption parameters, ionic strength, and the effects of dilution and organic solvents, were studied and optimized. The optimized procedures resulted in more than 80% recovery for all the investigated vegetable and fruit samples with RSD values below 10%. 相似文献
982.
以Black-Scholes模型为基础,通过对回望期权的研究,结合有交易费的欧式期权的定价公式,运用证券组合技术与无套利原理,建立了支付交易费的回望期权定价模型.通过对方程化简和分析,运到PDE相关方法化为Cauchy问题,得出定价公式. 相似文献
983.
An electrochemiluminescence (ECL) biosensor for simultaneous detection of adenosine and thrombin in one sample based on bifunctional aptamer and N-(aminobutyl)-N-(ethylisoluminol) functionalized gold nanoparticles (ABEI-AuNPs) was developed. A streptavidin coated gold nanoparticles modified electrode was utilized to immobilize biotinylated bifunctional aptamer (ATA), which consisted of adenosine and thrombin aptamer. The ATA performed as recognition element of capture probe. For adenosine detection, ABEI-AuNPs labeled hybridization probe with a partial complementary sequence of ATA reacted with ATA, leading to a strong ECL response of N-(aminobutyl)-N-(ethylisoluminol) enriched on ABEI-AuNPs. After recognition of adenosine, the hybridization probe was displaced by adenosine and ECL signal declined. The decrease of ECL signal was in proportion to the concentration of adenosine over the range of 5.0 × 10−12–5.0 × 10−9 M with a detection limit of 2.2 × 10−12 M. For thrombin detection, thrombin was assembled on ATA modified electrode via aptamer–target recognition, another aptamer of thrombin tagged with ABEI-AuNPs was bounded to another reactive site of thrombin, producing ECL signals. The ECL intensity was linearly with the concentration of thrombin from 5 × 10−14 M to 5 × 10−10 M with a detection limit of 1.2 × 10−14 M. In the ECL biosensor, adenosine and thrombin can be detected when they coexisted in one sample and a multi-analytes assay was established. The sensitivity of the present biosensor is superior to most available aptasensors for adenosine and thrombin. The biosensor also showed good selectivity towards the targets. Being challenged in real plasma sample, the biosensor was confirmed to be a good prospect for multi-analytes assay of small molecules and proteins in biological samples. 相似文献
984.
Chai JD 《The Journal of chemical physics》2012,136(15):154104
In contrast to the original Kohn-Sham (KS) formalism, we propose a density functional theory (DFT) with fractional orbital occupations for the study of ground states of many-electron systems, wherein strong static correlation is shown to be described. Even at the simplest level represented by the local density approximation (LDA), our resulting DFT-LDA is shown to improve upon KS-LDA for multi-reference systems, such as dissociation of H(2) and N(2), and twisted ethylene, while performing similar to KS-LDA for single-reference systems, such as reaction energies and equilibrium geometries. Because of its computational efficiency (similar to KS-LDA), this DFT-LDA is applied to the study of the singlet-triplet energy gaps (ST gaps) of acenes, which are "challenging problems" for conventional electronic structure methods due to the presence of strong static correlation effects. Our calculated ST gaps are in good agreement with the existing experimental and high-level ab initio data. The ST gaps are shown to decrease monotonically with the increase of chain length, and become vanishingly small (within 0.1 kcal/mol) in the limit of an infinitely large polyacene. In addition, based on our calculated active orbital occupation numbers, the ground states for large acenes are shown to be polyradical singlets. 相似文献
985.
沉淀/共沉淀-膜富集-X射线荧光法快速分析近岸海水中的重金属 总被引:1,自引:0,他引:1
建立了近岸海水中多种重金属(铁、镍、锰、铜、锌及铅)的氢氧化物和硫化物的沉淀/共沉淀-膜富集-X射线荧光测定法.在海水样品中加入沉淀剂,使重金属离子生成氢氧化物或硫化物沉淀.沉淀经过滤截留,富集在膜上,直接以手持式X射线荧光仪检测.富集100 mL水样时,两种沉淀法的测定线性范围均为12.5~400 μg/L,即测定限均为12.5 μg/L.对各重金属浓度为100μg/L的试样连续测定7次,相对标准偏差(RSD)为3.7%~6.4%;氢氧化物沉淀法的检出限在1.32~7.84 μ g/L之间;硫化物沉淀法为1.94~11.0 μg/L.用本方法成功测定了厦门近岸海域及九龙江河口海水中的重金属浓度.基于样品酸化与否及过滤先后顺序的不同,本方法可用于海水和河口水样中可溶态、溶解态及游离态重金属的现场快速分析. 相似文献
986.
987.
通过金相(OM)和扫描电镜(SEM)的显微组织分析、荧光成分分析(XRF),能谱微区成分分析(EDS)、X射线物相分析(XRD),显微硬度(HV)和差热分析(DSC)等测试手段和方法,对铸态Mg-5 Sn-xEr(x=0,0.5,1,1.5,2,2.5,4,6)合金的组织性能进行了全而研究研究结果表明,稀土Er对Mg-5 Sn合金的影响是多方而的,首先是稀土Er对晶粒有明显的细化作用;再就是稀土Er能抑制盘状Mg2 Sn第二相的形成,同时促进不规则ErMgSn稀土相的形成,最后就是提高了合金的相转变温度和显微硬度.因此稀土Er对铸态Mg-5Sn合金具有显著的变质效果. 相似文献
988.
In the negative ion mode of electrospray ionization tandem mass spectrometry (ESI‐MS/MS) of four sulfonylurea herbicides, Smiles rearrangements were observed in rimsulfuron and nicosulfuron. In the case of rimsulfuron, two competitive gas‐phase Smiles rearrangements initiated by nitrogen anion and oxygen anion respectively were witnessed. The ion‐neutral complex was proposed as the reactive intermediate in the course of this unimolecular dissociation reaction of the oxygen attack Smiles rearrangement route. The density functional theory (DFT) was carried out to elucidate the mechanism as well as to show the possible transition states and the intermediates. 相似文献
989.
A simple method for preparation of presulfided eggshell CoMoS/γ-Al2O3 catalysts with sharp boundary is developed, through which the eggshell thicknesses of Co and Mo could be easily regulated by controlling the impregnation time. According to the results characterized by EDS, XRD, HRTEM and FT-IR of adsorbed CO, the active component structures, the nature and/or the amount of active sites on the eggshell catalyst are similar to these on the uniform catalyst. The evaluation results of the catalytic performance in selective hydrodesulfurization (HDS) of FCC gasoline show the presence of significant internal diffusion inhibition effect on HDS of S-compounds especially in the uniform catalyst. Compared with uniform catalyst, the eggshell catalyst could remarkably reduce such an internal diffusion inhibition effect due to a shortened diffusion path of the reactants, thus showing higher HDS activity and selectivity. 相似文献
990.