氦原子与非对称替代氢分子碰撞(E=0.3eV)角分布计算

用密耦方法计算了非对称同位素替代分子与氦原子碰撞(He-HD,HT,DT)转动激发,当入射能量E=0.3 eV时,得到了上述碰撞体系的微分散射截面或角分布.基于上述理论计算,讨论了原子与双原子分子碰撞的同位素效应.     

煤油共处理油品的族组成研究

采用高效液相色谱法对兖州烟煤与催化裂化油浆共处理制备的油品的族组成进行了研究。结果表明 ,在实验条件下油品主要由烷烃和芳烃组成 ,杂原子化合物含量一般仅为 0 5 %～ 2 0 %。原料煤与油浆比例、反应温度、催化剂对油品族组成具有重要影响 ;随初始氢压不同 ,对油品族组成的影响不同 ;在 4MPa初始压力条件下 ,反应气氛 (氢气、氮气 )对煤油共处理和纯油浆制备油品的族组成影响不大。     

Synthesis,Separation, and Theoretical Studies of Chiral Biphenyl Lignans (α‐ and β‐DDB)

Two biphenyl lignans, α‐ and β‐DDB ( 1 and 2 , respectively) were efficiently synthesized without contamination by other regio‐isomers. The different yields of the Ullmann coupling reactions for the synthesis of 1 and 2 were rationalized by calculating steric hindrance, stability, entropy change, and heat‐of‐formation values. The enantiomers of 1 and 2 were readily separated by HPLC on a chiral stationary phase. Their configurations were assigned based on the Cotton effect of the authentic natural products.     

热处理对La0.63Gd0.2Mg0.17Ni3.1Co0.3Al0.1储氢合金微观组织和电化学性能的影响

在氩气气氛和1173 K保温条件下对La0.63 Gd0.2 Mg0.17Ni3.1 Co0.3 Al0.1储氢合金进行不同时间(t=8 ～168 h)的热处理,采用电感耦合等离子发射光谱(ICP)、X射线衍射(XRD)、电子探针显微分析方法(EPMA)和电化学测试分析方法对比研究了退火时间对合金显微组织演化和电化学性能的影响.研究结果表明,铸态合金组织由Ce2 Ni7型、Gd2Co7型、Pr5 Co19型、PuNi3型和CaCu5型相组成,其Ce2 Ni7型相的丰度为78.9％,随退火时间的延长,退火合金中Ce2 Ni7型相的丰度逐渐增加,当退火时间t=168 h时其相丰度达到94.5％,Ce2 Ni7型相结构的晶胞参数和晶胞体积随退火时间增加而减小.电化学测试分析表明,退火合金电极的电化学性能与Ce2 Ni7型相的丰度有密切关系,退火时间对合金电极的活化性能影响不大,但合金电极放电容量随退火时间的延长逐渐提高,当t=168 h时,合金电极放电容量达到最大值386.8mAh·g-1;退火时间对合金电极循环稳定性的提高和改善有不同程度的影响,当退火时间t=16～168 h时,经100次充放电循环后,其电极容量保持率S100=90.3％～91.5％.热处理能有效改善合金电极电化学反应的动力学性能,但不同退火时间对合金电极的高倍率放电性能影响不明显.     

He原子与O2分子相互作用势及碰撞微分截面的研究

本文用量子力学从头算方法深入研究了He原子与O2分子的相互作用势,选定CCSD(T)/6-311++G(3df,2pd)方法和基组,同时采用了Boys和Bernardi提出的Full Couterpoise方法消除了计算中的基组重叠误差(BSSE),得出了该体系的各向异性相互作用势的单点能数据,通过拟合得到了较为准确的He-O2体系相互作用势的解析表达式.采用精确度较高的密耦(Close-Coupling)近似方法,计算了He-O2碰撞体系的碰撞激发微分截面,计算得到的微分截面数据与实验值符合较好,并得出了不同碰撞能量时He原子与O2分子的碰撞的微分截面的规律.     

Establishment and validation of an SIL-IS LC–MS/MS method for the determination of ibuprofen in human plasma and its pharmacokinetic study

In this work, we developed and validated a highly sensitive, rapid and stable LC–MS/MS method for the determination of ibuprofen in human plasma with ibuprofen-d3 as a stable isotopically labeled internal standard (SIL-IS). Human plasma samples were prepared by one-step protein precipitation. The chromatographic separation was achieved on a Poroshell 120 EC-C₁₈ (2.1 × 50 mm, 2.7 μm). Aqueous solution (containing 0.05% acetic acid and 5 mm NH₄Ac) and methanol were selected as the mobile phase with gradient elution. An electrospray ionization source was applied and operated in negative ion mode. Multiple reaction monitoring mode was used for quantification using target fragment ions m/z 205.0 → 161.1 for ibuprofen and m/z 208.0 → 164.0 for SIL-IS, respectively. This method exhibited a linear range of 0.05–36 μg/ml for ibuprofen with correlation coefficient >0.99. Mean recoveries of ibuprofen in human plasma ranged from 78.4 to 80.9%. The RSD of intra- and inter-day precision were both < 5%. The accuracy was between 88.2 and 103.67%. The matrix effect was negligible in human plasma, including lipidemia and hemolytic plasma. A simple, efficient and accurate LC–MS/MS method was successfully established and applied to a pharmacokinetic study in healthy Chinese volunteers after a single oral administration of ibuprofen granules.     

钢渣与污泥协同资源化研究进展

钢渣和污泥作为传统大宗固体废弃物,始终面临处理成本高、回收利用率低等问题,但其内部含有大量可利用物质,具有较高的资源化利用价值,现已成为国内外的研究热点。为了提高钢渣与污泥绿色、高效、协同资源化利用,综述了近年来国内外钢渣在建筑、道路、水处理、农业等领域资源化利用的研究进展,立足固废无害化、减量化,从钢渣和污泥的资源化进行分析与总结,指出不同研究方法的特点和优劣,为固废资源化利用提供参考。并基于我国发展现状对钢渣与污泥资源化利用的未来发展方向进行了展望,以期为固废处理行业的良性发展提供一定的理论支撑。     

Complete suppression of the fluorophore fluorescence by combined effect of multiple fluorescence quenching groups: A fluorescent sensor for Cu with zero background signals

The reaction-based fluorescent sensors have attracted increasing attention in the past decades. However, the application of these sensors for accurate sensing was significantly retarded by the background fluorescence from the sensors themselves. In this work, we demonstrated a novel strategy that the background fluorescence of the sensor could be completely eliminated by the combined effect of multiple fluorescence quenching groups. Based on this new strategy, as proof-of-principle study, a fluorescent sensor (CuFS) for Cu²⁺ was judiciously developed. In CuFS, three types of fluorescence quenching groups were directly tethered to a commonly used coumarin fluorophore. The fluorescence of coumarin fluorophore in CuFS was completely suppressed by the combined effect of these fluorescence quenching groups. Upon treatment with 22 μM Cu²⁺, sensor CuFS achieved a dramatic fluorescence enhancement (fluorescence intensity enhanced up to 811-fold) centered at 469 nm. The detection limits was determined to be 12.3 nM. The fluorescence intensity enhancement also showed a good linearity with the Cu²⁺ concentration in the range of 12.3 nM to 2 μM. By fabricating test strips, sensor CuFS can be utilized as a simple tool to detect Cu²⁺ in water samples. Furthermore, the fluorescent sensor was successfully applied in detecting different concentration of Cu²⁺ in living cells.     

2K超导低温垂测控制系统关键技术

根据加速器驱动次临界系统质子超导直线加速器样机(CAFe)对于低温垂测系统的要求,设计了2K超导低温垂测控制系统。该系统的主要难点之一是用简单可靠的方式实现2K过程控制,二是对回温过程中杜瓦内压强的控制。为了解决这两点,本工作使用实验物理与工业控制系统中的集成包Sequencer实现了对气体置换、腔体降温等顺序过程的控制,能够方便实现多种流程控制。对于回温过程,使用可编程逻辑控制器等部件作为硬件控制部分,使用模糊PID控制加热器来稳定杜瓦内压强,相较于传统的PID能够实现更小的响应时间和超调量,最终为实现2K超导低温垂测控制系统提供了可行高效的解决方法。     

A monotonicity property for random walk in a partially random environment

We prove a law of large numbers for random walks in certain kinds of i.i.d. random environments in ${\mathbb{Z}}^d$ that is an extension of a result of Bolthausen et al. (2003) [4]. We use this result, along with the lace expansion for self-interacting random walks, to prove a monotonicity result for the first coordinate of the speed of the random walk under some strong assumptions on the distribution of the environment.