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991.
An on-line solid phase extraction-high performance liquid chromatography-tandemmass spectrometry method for the analysis of perfluoroalkyl substances (PFASs) in water samples was developed. The optimal analytical conditions were obtained through the optimization of the extraction efficiency of online solid phase extraction column, sample loading rate and loading volume, and the concentration of ammonium acetate in mobile phase. Under the optimal condition, the analytical method displayed good linearity (r2 > 0.99) for 12 PFASs (C5-C14 perfluoroalkyl carboxylic acids and C6/C8 perfluoroalkyl sulfonic acids) over a concentration range of 0.5-100 ng/L. The limits of quantitation for samples were between 0.025 ng/L and 0.5 ng/L and the relative standard deviations (RSD) of five consecutive analyses were less than 10% for 1 ng/L standard solution. Satisfactory results were obtained using this analytical method for the analysis of perfluoroalkyl substances in Antarctic ice core samples. The recoveries of all perfluoroalkyl substances were in a range of 73%-117% when the sampleswere spiked with standards at the concentrations of 2.5 ng/L and 25 ng/L. 相似文献
992.
Yi Cai Dr. Pengyuan Liu Dr. Michael A. Held Dr. Howard D. Dewald Dr. Hao Chen 《Chemphyschem》2016,17(8):1104-1108
A new coupling of electrochemistry with mass spectrometry (MS) using probe electrospray ionization (PESI) is presented. Due to the high salt tolerance of PESI, the detection of electrochemical reaction products in room‐temperature ionic liquids (RTILs) is realized for the first time. Furthermore, PESI‐MS allows the analysis of electrochemical reaction products on different or multiple electrode surfaces. In addition, peptides and proteins fractionated through isoelectric focusing (IEF) in the presence of an external electric field can also be directly analyzed by using PESI‐MS, suggesting a new and rapid characterization means for the IEF technique. This study reveals the versatility of EC/PESI‐MS, which could have an impact in electrochemistry and bioanalysis fields. 相似文献
993.
用Quantum Sutton-Chen多体势对Ag6Cu4和CuNi液态金属凝固过程进行了分子动力学模拟研究.在冷却速率2×1012到2×1014K/s范围内,CuNi总是形成fcc晶体结构,而Ag6Cu4总是形成非晶态结构.考虑到CuNi及AgCu中原子半径之比分别为1.025和1.13,那么模拟结果证实了原子的尺寸差别是非晶态合金形成的一个主要影响因素.此外采用键对及原子多面体类型指数法对凝固过程中微观结构组态变化的分析,不但能说明二十面体结构在非晶态合金形成和稳定性中所起的关键作用,又有助于对液态金属的凝固过程、非晶态结构特征的深入理解. 相似文献
994.
利用密度泛函理论(DFT)B3LYP/aug-cc-PVTZ方法对BeF和BeF2分子进行计算, BeF分子的基态电子态为X2Σ+,平衡核间距Re=0.1367 nm,BeF2分子最稳定构型为D∞h构型,基态电子态为X1Σg+,离解能De=13.4 eV。利用最小二乘法拟合了BeF分子基态的Murrell-Sorbie势能函数,并得到其光谱数据与力常数。结合全局多体项展式方法,导出了基态BeF2分子基态势能函数的解析表达式,该函数准确反映了BeF2分子的结构以及静态反应特征,这些结果为进一步探索BeF2的微观分子反应动力学提供了基础。 相似文献
995.
996.
Nardis S Paolesse R Licoccia S Fronczek FR Vicente MG Shokhireva TK Cai S Walker FA 《Inorganic chemistry》2005,44(20):7030-7046
An undecasubstituted chloroiron corrolate, octamethyltriphenylcorrolatoiron chloride, (OMTPCorr)FeCl, has been synthesized and studied by X-ray crystallography and (1)H and (13)C NMR spectroscopy. It is found that, although the structure is slightly saddled, the average methyl out-of-plane distance is only 0.63 Angstroms, while it is much greater for the dodecasubstituted porphyrinate analogue (OMTPP)FeCl (1.19 Angstroms) (Cheng, R.-J.; Chen, P.-Y.; Gau, P.-R.; Chen, C.-C.; Peng, S.-M. J. Am. Chem. Soc. 1997, 119, 2563-2569). In addition, the distance of iron from the mean plane of the four macrocycle nitrogens is also smaller for (OMTPCorr)FeCl (0.387 Angstroms) than for (OMTPP)FeCl (0.46 Angstroms). The (1)H and (13)C NMR spectra of (OMTPCorr)FeCl, as well as the chloroiron complexes of triphenylcorrolate, (TPCorr)FeCl; 7,13-dimethyl-2,3,8,12,17,18-hexaethylcorrolate, (DMHECorr)FeCl; 7,8,12,13-tetramethyl-2,3,17,18-tetraethylcorrolate, (TMTECorr)FeCl; and the phenyliron complex of 7,13-dimethyl-2,3,8,12,17,18-hexaethylcorrolate, (DMHECorr)FePh, have been assigned, and the spin densities at the carbons that are part of the aromatic ring of the corrole macrocycle have been divided into the part due to spin delocalization by corrole --> Fe pi donation and the part due to the unpaired electron present on the corrole ring. It is found that although the spin density at the beta-pyrrole positions is fairly similar to that of (TPCorr)FeCl, the meso-phenyl-carbon shift differences delta(m) - delta(p) are opposite in sign of those of (TPCorr)FeCl. This finding suggests that the radical electron is ferromagnetically coupled to the unpaired electrons on iron, rather than antiferromagnetically coupled, as in all of the other chloroiron corrolates. The solution magnetic moment was measured for (OMTPCorr)FeCl and found to be mu(eff) = 4.7 +/- 0.5 micro(B), consistent with S = 2 and ferromagnetic coupling. From this study, two conclusions may be reached about iron corrolates: (1) the spin states of chloroiron corrolates are extremely sensitive to the out-of-plane distance of iron, and (2) pyrrole-H or -C shifts are not useful in delineating the spin state and electron configuration of (anion)iron corrolates. 相似文献
997.
量子纠缠是量子信息领域的核心资源,目前利用β型硼酸钡(BBO)晶体参量下转换制备的纠缠光子对的亮度较低,它直接制约了量子通信的最远距离,已无法满足星地实用化量子通信的发展需求.利用周期极化KTiOPO4晶体,采用准相位匹配技术设计产生了一种后选择的纠缠源,测得的符合计数达到了16×103s-1 mW-1,极化对比度达到27∶1,在亮度上比基于BBO的量子纠缠光源提高了一个数量级以上.这一高亮度的纠缠源可以广泛应用于量子密钥分发、量子隐形传态以及量子计算等新兴量子信息领域,为实现全球化量子通信提供了有力的保障. 相似文献
998.
999.
Cai Liang Xiaoping ChenPan Xu Bo LiuChangsui Zhao Chuanlong Xu 《Experimental Thermal and Fluid Science》2011,35(6):1143-1150
During the pneumatic conveying, pulverized coal with different moisture contents may develop substantial difference in flow characteristics, whose cause is not fully understood. This study focused on influence of moisture content on conveying characteristics in an experimental test facility with the conveying pressure up to 4 MPa. The experiments included soft coal and lignite with similar density and particle size. With the increase in moisture content, the mass flow rate decreased for lignite (3.24% < M < 8.18%) but increased at first and then decreased for soft coal (0.4% < M < 6.18%) at same operating parameters. The flowability of soft coal was worse than that of lignite at similar operating parameters and external moisture content. The extremal conveying moisture contents of two coal types were obtained. The particle charge and surface moisture content were investigated to indicate influence mechanism of moisture content on mass flow rate in pneumatic conveying at high pressure. Pressure drop of soft coal was greater than that of lignite for same test section. The conveying phase diagram of dense-phase pulverized coal at high pressure was obtained and the pressure drops through different test sections were compared and analyzed. The bend loss factor rose with the increase in moisture content and was independent of conveying velocity and solid-gas ratio in dense-phase pneumatic conveying at high pressure. 相似文献
1000.
Guang‐Hui Zhao Juan Li Rui‐Qing Lin Feng‐Cai Zou Wei Liu Zi‐Guo Yuan Xi‐Hao Mo Hui‐Qun Song Ya‐Biao Weng Xing‐Quan Zhu 《Electrophoresis》2010,31(4):641-647
In the present study, restriction site‐amplified polymorphism (RSAP) markers were used to examine the genetic variability of Schistosoma japonicum isolates from different endemic provinces in mainland China. Of the 45 pairs of primers screened, 10 RSAP markers showed a clear banding pattern with good resolution; however, only six exhibited a polymorphism among different isolates. Among six RSAP markers, one pair of primers (R8+R10) was able to differentiate male and female parasites, and amplified one constant specific band for female S. japonicum isolates. The specific band was recovered, re‐amplified and sequenced, and a sequence of 162 bp was obtained. Based on this sequence, a pair of specific primers was designed and used to develop sequence characterized amplified region (SCAR)‐PCR assay for identification and differentiation of female S. japonicum isolates. The SCAR‐PCR assay allowed the specific identification of female S. japonicum, with no amplicons being amplified from male S. japonicum, Fasciola hepatica, Clonorchis sinensis, S. mansoni (male and female parasite). DNA sequencing confirmed the identity of the amplified products. The minimum amount of DNA detectable using SCAR‐PCR assay was 0.3 ng for female S. japonicum. The SCAR‐PCR was able to differentiate effectively the male and female S. japonicum worms collected from 12 geographical origins in eight endemic provinces, the gender of which was known based on the morphological and biological features. These results showed that SCAR‐PCR provides an effective tool for the sex differentiation studies of S. japonicum, identification of female S. japonicum, diagnosis and epidemiological survey of S. japonicum infections in animals and human. 相似文献