双温度氩-氮等离子体热力学和输运性质计算

获得覆盖较宽温度和压力范围内的等离子体热力学和输运性质是开展等离子体传热和流动过程数值模拟的必要条件.本文通过联立Saha方程、道尔顿分压定律以及电荷准中性条件求解等离子体组分;采用理想气体动力学理论计算等离子体热力学性质;基于Chapman-Enskog方法求解等离子体输运性质.利用上述方法计算了压力为0.1, 1.0和10.0 atm (1 atm=101325 Pa),电子温度在300—30000 K范围内,非局域热力学平衡(电子温度不等于重粒子温度)条件下氩-氮等离子体的热力学和输运性质.结果表明压力和非平衡度会影响等离子体中各化学反应过程,从而对氩-氮等离子体的热力学及输运性质有较大的影响.在局域热力学平衡条件下,计算获得的氩-氮等离子体输运性质和文献报道的数据符合良好.     

高品质激光尾波场电子加速器

激光尾波场电子加速的加速梯度相比于传统直线加速器高了3—4个量级,对于小型化粒子加速器与辐射源的研制具有重要的意义,成为当今国内外的研究热点.台式化辐射源应用需求的提高,特别是自由电子激光装置的快速发展,对电子束流品质提出了更高的要求,激光尾波场电子加速的束流品质和稳定性是目前实现新型辐射源的首要障碍.本文归纳整理了中国科学院上海光学精密机械研究所电子加速研究团队十年来在研制台式化激光尾波场电子加速器过程中采取的方案和取得的进展.例如率先提出了注入级和加速级分离的级联加速方案,通过实验获得了GeV量级的电子束能量;基于级联加速方式利用能量啁啾控制,实验获得世界最高品质的电子束流;通过优化激光系统稳定性和特殊的气体喷流结构,获得稳定的高品质电子束流输出等.这一系列实验结果有利于进一步推进激光尾波场电子加速器的应用.     

盐酸四环素中可交换氢和氢键的核磁共振波谱研究

四环素类抗生素是一类广谱抗生素,对革兰氏阳性菌、革兰氏阴性菌、支原体、衣原体和立克次体感染均具有抗菌活性.本文运用一维（1D）和二维（2D）核磁共振（NMR）技术对盐酸四环素中可交换氢和氢键进行研究,并将研究结果与RNA和蛋白质结合的四环素以及游离药物的晶体结构进行比较,进一步讨论了药物中的氢键构架与药物活性的相关性.最后对盐酸四环素及其同系物的¹H和¹³C NMR信号进行了全归属和分析,并对文献归属结果进行了细微校正.这些结果有助于进一步探索该类药物在更复杂的生物或环境系统中的构效关系.     

从高质量半导体/超导体纳米线到马约拉纳零能模

作为马约拉纳费米子的“凝聚态版本”,马约拉纳零能模是当前凝聚态物理领域的研究热点.马约拉纳零能模满足非阿贝尔统计,可以构建受拓扑保护的量子比特.这种由空间上分离的马约拉纳零能模构建的拓扑量子比特不易受局域噪声的干扰,具有长的退相干时间,在容错量子计算中具有重要的应用前景.半导体/超导体纳米线是研究马约拉纳零能模和拓扑量子计算的理想实验平台.本文综述了高质量半导体纳米线外延生长、半导体/超导体异质结制备以及相应的马约拉纳零能模研究方面的进展,并对半导体/超导体纳米线在量子计算中的应用前景进行了展望.     

A new ESIPT-based fluorescent probe for highly selective and sensitive detection of HClO in aqueous solution

A new ESIPT-based fluorescent probe, PHC2, for the detection of hypochlorous acid has been rationally designed and developed. Endowed by the specific reaction between hypochlorous acid and phenyl azo group, PHC2 features high degree of selectivity and sensitivity for HClO with a low detection limit (13.2 nM) under physiological conditions in neutral aqueous solution.     

Template-directed syntheses of two 3D metal oxalates: in situ N-methylation and crystal structures

Two isomorphic organically templated zinc/cobalt oxalates, (dmdabco)[Zn₂(C₂O₄)₃]·4H₂O (1), and (dmdabco)[Co₂(C₂O₄)₃]·4H₂O (2) (C₂O₄^2? = oxalate; dmdabco = N,N′-dimethyl-1,4-diazabicyclo[2,2,2]octane), have been prepared under solvothermal conditions and characterized by X-ray structural analyses. The dmdabco²⁺ templating agent was derived from simple in situ N-alkylation between methanol and 1,4-diazabicyclo[2,2,2]octane (dabco). Distinct from conventional Eschweiler-Clarke methylation containing excess formic acid and formaldehyde, such one-step methylation from methanol molecules is convenient. Both 1 and 2 exhibit a uninodal 3-connected 3-D interrupted open-framework, in which oxalate ligands have in-plane and out-of-plane connection modes.     

Exploratory Purification of Compounds from Aqueous Extracts of <Emphasis Type="Italic">Pinus massoniana</Emphasis> Lamb. by Two-Dimensional Preparative Liquid Chromatography

An off-line orthogonal two-dimensional preparative liquid chromatography method was developed for isolation of high-purity compounds from aqueous extracts of Pinus massoniana Lamb., which has efficient therapeutic properties in recipes of traditional Chinese medicines. A polar-enhanced reversed-phase (RP) column, XAqua C18 was selected for the first-dimensional separation. A HILIC column and a hydrophobic RP column were both explored in the second dimension. The preparation results indicated hydrophilic RP × HILIC mode would provide better separation efficiency for polar complexes, i.e., the second-dimensional separation was finished in less than 30 min and high-purity compounds were obtained. In this work, 16 fractions were collected efficiently in the first dimension with a recovery up to 96%, and six compounds with high purity and enough quantity were identified by NMR and high resolution mass spectrometry, including epicatechin, betuloside, taxifolin-3-O-xyloside, cedrusin-4-O-glucoside, massonianoside C and massonianoside D, and five are glycosides, including flavonoid glycosides, lignanoid glycosides and an arylbutanoid glycoside. Betuloside was first reported in the preparation of Pinus massoniana Lamb. This work demonstrated a flexible strategy of compromise in between time and resolution for selecting solvent and column to enhance preparative efficiency of polar complex systems.     

Accurate Determination of Tributyltin in Tannery Wastewater by a New Procedure Using ID-HPLC–ICP-MS Combined with Low Temperature Extraction

Isotope dilution mass spectrometry is recognized as a primary method to obtain traceable values in the measurement of substances including trace elements and their organometallic compounds. This paper reports a novel method where isotope dilution high performance liquid chromatography inductively coupled plasma mass spectrometry (ID-HPLC–ICP-MS) was combined with low temperature extraction for the determination of tributyltin (TBT) in tannery wastewater from the leather industry. It has been found that the liquid–liquid extraction at very low temperature is in the favor of extraction of organotin, as the enrichment factor for low temperature (?80 °C) extraction was about 1.3 times higher than for extraction at room temperature (20 °C). The method detection limit of TBT, obtained from the proposed ID-HPLC–ICP-MS procedure after extraction with a sample volume of 7.5 by 2.5 mL of organic phase, was found to be 0.13 ng g^?1. When TBT was determined in a range of 10–1000 ng g^?1 in tannery wastewater samples, the analyte recoveries were in the range 90.1–107.2% with relative standard deviations of between 2.0 and 7.2%. Finally, the new method of ID-HPLC–ICP-MS combined with low temperature extraction was applied to the determination of TBT in actual tannery wastewater. The TBT contents from three different tanning procedures (chrome tanning, vegetable tanning and aldehyde tanning), expressed as the mean ± the expanded uncertainty (k = 2) were 378.65 ± 20.38, 110.04 ± 5.96 and 690.17 ± 35.31 ng g^?1, respectively.     

Synthesis of nano/micro scale ZSM-5 from kaolin and its catalytic performance

Nano/micro scale ZSM-5 zeolites were synthesized by using natural kaolin as raw material. The effect of particle size on the catalytic performance of ZSM-5 zeolite for the methanol to olefins conversion was evaluated in a fixed-bed reactor. The results indicated the crystal size had a significant effect on the catalytic stability and the products distribution. ZSM-5 with nanosize showed better tolerance to coke formation, longer catalytic lifetime, and higher selectivity to propylene. The selectivity to propylene on nanosized ZSM-5 was on average 4.5% higher than on the submicron sample and 10% higher than on microsized ZSM-5. After the reaction was conducted for 20 h the ZSM-5 catalyst synthesized from kaolin showed longer lifetime and higher propylene selectivity than the sample synthesized with chemical materials The reason can be explained by the occurence of such elements as Fe, P, and especially Ti.     

Hierarchy of equations to calculate the linear spectra of molecular aggregates: Time‐dependent and frequency domain formulation

In a recent publication (Ritschel et al., J. Chem. Phys. 2015, 142, 034115) we have derived a hierarchy of coupled differential equations in time domain to calculate the linear optical properties of molecular aggregates. Here, we provide details about issues concerning the numerical implementation. In addition we present the corresponding hierarchy in frequency domain.