射频阱中原子团簇离子的选择存储及其应用

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Quantum-theoretical treatment of motions of ions in ion cyclotron resonance cells

A quantum-mechanical treatment of the power absorption of ICR ions based on a minimized wavepacket-approach is presented. With the aid of minimum wavepackets constructed using the exact wavefunctions for the ion motions in a homogeneous magnetic field, the power absorption of the ions in cyclotron resonance has been treated within the framework of the linear response theory. The result agrees with that obtained according to the projection-operator formalism.     

用离子吸附法制备银/聚吡咯同轴纳米电缆

以多元醇还原反应法制备出直径为40~50 nm的纳米银线, 采用醋酸铜水溶液对银纳米线表面进行处理, 通过离子吸附在纳米银线表面吸附铜离子. 以吸附在银纳米线表面上的铜离子作为活性单元, 氧化吡咯单体聚合, 制得Ag/PPy同轴纳米电缆. 采用TEM, FTIR和XPS等表征手段对产物进行表征和检测, 并通过表面增强拉曼光谱进一步证实产物中聚吡咯层紧密地吸附在银线表面. 结果表明, 利用醋酸铜作为氧化剂, 通过离子吸附法制备的Ag/PPy同轴纳米电缆, 可以在较大范围内有效地控制聚吡咯层厚度, 避免银纳米线被刻蚀.     

Velocity modulation spectroscopy of molecular ions I: The pure rotational spectrum of TiCl (XΦr)

The pure rotational spectrum of the TiCl⁺ ion in its X³Φ_r ground state has been measured in the frequency range 323-424 GHz, using a combination of direct absorption and velocity modulation techniques. The ion was created in an AC discharge of TiCl₄ and argon. Ten, eleven, and nine rotational transitions were recorded for the ⁴⁸Ti³⁵Cl⁺, ⁴⁸Ti³⁷Cl⁺, and ⁴⁶Ti³⁵Cl⁺ isotopomers, respectively; fine structure splittings were resolved in every transition. The rotational fine structure pattern was irregular with the Ω = 4 component lying in between the Ω = 2 and 3 lines. This result is consistent with the presence of a nearby ³Δ_r state, which perturbs the Ω = 2 and 3 sub-levels, shifting their energies relative to the Ω = 4 component. The data for each isotopomer were analyzed in a global fit, and rotational and fine structure parameters were determined. The value of the spin-spin constant was comparable to that of the spin-orbit parameter, indicating a large second-order spin-orbit contribution to this interaction. The bond length established for TiCl⁺, r₀ = 2.18879 (7) Å, is significantly shorter than that of TiCl, which has r₀ = 2.26749 (4) Å. The shorter bond length likely results from a Ti²⁺Cl⁻ structure in the ion relative to the neutral, which is thought to be represented by a Ti⁺Cl⁻ configuration. The higher charge on the titanium atom shortens the bond.     

高效氟磷酸盐玻璃白光荧光体制备及发光特性

采用熔融淬火方法制备了一系列Sn2+，Dy3+单掺及Sn2+-Dy3+共掺氟磷酸盐玻璃荧光体。利用紫外-可见分光光度计分别对各玻璃荧光体的透过光谱、激发光谱、发射光谱及荧光寿命等进行了测试和分析。结果发现在紫外光激发下，对于Sn2+、Dy3+单掺氟磷酸盐玻璃可分别获得高效的蓝光与黄光发射，且Sn2+单掺氟磷酸盐玻璃荧光体发光显色指数和量子效率最高；对于Sn2+-Dy3+共掺氟磷酸盐玻璃荧光体可实现高效的白光发射，且发现在Sn2+和Dy3+之间存在明显的能量传递，通过调节Dy3+掺杂浓度，两离子之间的能量转移效率亦随之改变，从而可对其白光色度进行调节。当Dy3+掺杂浓度为3 Wt%时，利用280 nm商用LED芯片激发可获得对应色坐标为(0.311，0.330)，量子效率为56.3%，亮度为6 706 cd·m-2的近纯白光发射。此外，对各类玻璃样品的DSC、导热及其他光学性能也进行了测试与计算，获得了各样品的热导率、量子效率、色坐标、显色指数等参数。研究结果表明，制备的高效氟磷酸盐玻璃完全有望作为可调谐白光发光荧光体应用于商用LED。     

同时测定水中阴、阳离子的单柱阴离子排斥-阳离子交换色谱法

采用单柱离子色谱系统和电导检测的方法,以丙二酸为淋洗液,同时有效地分离、检测了溶液中SO42-、Cl -、NO3-、F -、Na 、NH4 、K 、Mg2 、Ca2 9种离子。研究了丙二酸浓度和流速对各离子保留时间及电导检测行为的影响。该法用于目前市售饮用水中的阴阳离子分析 ,得到满意的结果     

Maximum Impact of Ionic Strength on Acid-Catalyzed Reaction Rates Induced by a Zeolite Microporous Environment

The intracrystalline ionic environment in microporous zeolite can remarkably modify the excess chemical potential of adsorbed reactants and transition states, thereby influencing the catalytic turnover rates. However, a limit of the rate enhancement for aqueous-phase dehydration of alcohols appears to exist for zeolites with high ionic strength. The origin of such limitation has been hypothesized to be caused by the spatial constraints in the pores via, e.g., size exclusion effects. It is demonstrated here that the increase in turnover rate as well as the formation of a maximum and the rate drop are intrinsic consequences of the increasingly dense ionic environment in zeolite. The molecularly sized confines of zeolite create a unique ionic environment that monotonically favors the formation of alcohol-hydronium ion complexes in the micropores. The zeolite microporous environment determines the kinetics of catalytic steps and tailors the impact of ionic strength on catalytic rates.     

Decoding the Fucose Migration Product during Mass-Spectrometric analysis of Blood Group Epitopes

Fucose is a signaling carbohydrate that is attached at the end of glycan processing. It is involved in a range of processes, such as the selectin-dependent leukocyte adhesion or pathogen-receptor interactions. Mass-spectrometric techniques, which are commonly used to determine the structure of glycans, frequently show fucose-containing chimeric fragments that obfuscate the analysis. The rearrangement leading to these fragments—often referred to as fucose migration—has been known for more than 25 years, but the chemical identity of the rearrangement product remains unclear. In this work, we combine ion-mobility spectrometry, radical-directed dissociation mass spectrometry, cryogenic IR spectroscopy of ions, and density-functional theory calculations to deduce the product of the rearrangement in the model trisaccharides Lewis x and blood group H2. The structural search yields the fucose moiety attached to the galactose with an α(1→6) glycosidic bond as the most likely product.     

Sobol sensitivity analysis for non-carcinogenic health risk assessment and water quality index for Kohgiluyeh and Boyer-Ahmad Province,Western Iran

Human activities and climate may have an impact on the water quality of reservoirs. Therefore, the present research aims to use the entropy water quality index assessment technique to analyze the water quality features of the main water supply reservoirs as well as to investigate the effect of water parameters on the water quality of the reservoirs. In this study, the total non-carcinogenic health risks from various exposure paths were estimated for adults and children. The water quality of the major water supply reservoirs in Kohgiluyeh and Boyer-Ahmad province was typically poor and unfit for human consumption. Besides, the non-carcinogenic risk was higher in males (0.958–1.497) and children (1.065–1.664) than in females (0.879–1.374) according to health risk assessments. Among the factors under study, magnesium and nitrate had the highest influence on the non-carcinogenic risk. Finally, the sensitivity of each of the parameters affecting the non-carcinogenic risk was assessed using Sobel sensitivity analysis. The results indicated that the nitrate concentration (C_w) and Ingestion Rate (IR) were the most sensitive in the oral state, while C_w and fraction of skin’s surface area (F) were more sensitive in the dermal state.