一氟化碳电子态的光谱性质和预解离机理的理论研究

采用考虑Davidson修正的内收缩多参考组态相互作用(icMRCI+Q)方法结合相关一致基组aug-cc-pV5Z和aug-cc-pV6Z首次计算了一氟化碳(CF)11个Λ-S 态(X²Π , a⁴Σ^-, A²Σ⁺, B²Δ, 1⁴Π, 1²Σ^-, 2⁴Π, 1^{4}Δ , 1⁴Σ⁺, 2²Σ^-和2⁴Σ^-) 所产生的25个Ω 态的势能曲线. 计算中考虑了旋轨耦合效应、核价相关和标量相对论修正以及将参考能和相关能分别外推至完全基组极限. 基于得到的势能曲线, 获得了束缚和准束缚的Λ-S态和Ω 态的光谱常数, 与已有的实验结果非常符合. 分析了束缚和准束缚的Λ-S态在各自平衡核间距R_e处的主要电子组态. 由于1⁴Π 和2⁴Π态的避免交叉, 发现准束缚态2⁴Π. 由Λ-S态势能曲线的交叉现象, 借助于计算的旋轨耦合矩阵元, 分析了a⁴Σ^-和B²Δ 态的预解离机理. 计算了25个Ω 态的离解关系, 给出了它们的离解极限. 最后研究了A²Σ⁺-X²Π 跃迁特性, 本文计算得到的A²Σ⁺-X²Π跃迁的Frank-Condon 因子和辐射寿命与已有实验值也符合得非常好.     

A fast method to generate collisional excitation cross-sections of highly charged ions in a hot dense matter

A method to compute collisional excitation cross-sections in jj-averaged configuration sets is presented in the framework of plane-wave Born approximation using Dirac–Hartree–Slater wave functions with appropriate low-energy corrections. When averaged into the ls configuration or hydrogenic superconfiguration sets, the results are found to compare with distorted wave calculations well within 30% on average. The cross-sections are averaged into hydrogenic cross-sections and fitted using the Gaunt factor formalism. We present analytic fit coefficients of Gaunt factors for 12 atoms of Z between 5 and 79 for hydrogenic transitions.     

腹腔镜下全子宫切除术术后并发症发生的相关因素分析

目的 探讨腹腔镜下全子宫切除术患者术后并发症发生的相关因素。方法 回顾性分析106 例腹腔镜下全子宫切除术患者的临床资料。结果 106 例患者术后并发症发生率为14.15%,发生率最高的是皮下气肿（3.77%）,其次是残端感染（2.88%）、盆腔包裹性积液（2.88%）,盆腔手术史（P =0.037）、术前贫血（P =0.03）、子宫＞孕12 周大小（P =0.022）、手术时间＞120min（P =0.033）、手术出血量＞100ml（P =0.013）为术后并发症发生的危险因素,其中术前贫血（OR=9.939,P =0.048）、手术时间＞120min（OR=6.120,P =0.038）为术后并发症发生的独立危险因素。结论 术前贫血、手术时间＞120min为患者术后并发症发生的独立危险因素。     

中心静脉血氧饱和度对心肺复苏后血流动力学不稳定患者容量反应性的预测价值

目的 分析影响子宫腺肌病发病的影响因素,寻找子宫腺肌病的防治及干预措施,从而减少子宫腺肌病的发病风险。方法 采用病例对照研究的方法,以128 例患者为实验组,同期入院的非子宫腺肌病的患者256 例为对照组。收集可能影响子宫腺肌病的影响因素,包括一般情况、生育及月经情况、生物学指标情况。采用SPSS18.0 统计软件进行统计分析,先行单因素因素分析,根据单因素分析有统计学差异的因素进行多因素logistic 回归分析。结果 单因素分析发现年龄、职业、早产、人工流产次数、剖宫产、痛经、ER、PR 和CA125 阳性为危险因素。多因素logistic 回归分析证实年龄、职业、早产、剖宫产、人工流产次数、FR 阳性、ER 阳性和CA125 阳性为子宫腺肌病的影响因素。结论 年龄、职业、早产、剖宫产、人工流产次数、FR 阳性、ER 阳性和CA125阳性为子宫腺肌病的影响因素,对其危险因素进行干预,可为防治方式提供参考。     

Impedimetric Aptasensors Based on Carbon Nanotubes – Poly(methylene blue) Composite

The effect of aptamer structure and immobilization platform on the efficiency of thrombin binding and its detection using electrochemical impedance spectroscopy (EIS) characteristics was investigated with aptasensors based on glassy carbon electrodes covered with multiwalled carbon nanotubes (MWNTs). Aptamers with one or two binding sequences GGTTGGTGTGGTTGG specific for thrombin and poly(dA) and poly(dT) tags able to form dimeric products (aptabodies) were used to establish significance of steric and electrostatic factors in aptasensor performance. We have shown that electropolymerization of methylene blue onto MWNTs significantly improved electrochemical characteristics and sensitivity of thrombin detection against bare MWNTs. Charge transfer resistance and capacitance of the surface layer were measured in the presence of redox probe [Fe(CN)₆]^3?/4?. Aptasensors make it possible to detect thrombin in the concentration range 1 nM–1 µM with the limit of detection of 0.7 nM (monitoring resistance changes) and 0.5 nM (capacitance changes), respectively.     

象山港沉积物对重金属Fe和Mn的吸附特征

对象山港不同站点的沉积物对重金属铁、锰的吸附特征进行了研究,考察了阳离子交换量、有机质含量对铁、锰的吸附能力的影响。吸附动力学实验表明,沉积物对铜和锌的吸附量随着铁、锰的初始含量增加而增大,但分别都在40 min和30 min左右达到吸附平衡;热力学实验结果表明,不同沉积物对铁、锰的热力学吸附过程符合Freundlich等温方程,各站点沉积物对铁的吸附能力由强到弱依次是S02,S25,S17,S10,S12,D03,D08,各站点沉积物对锰的吸附能力由强到弱依次是S02,S25,S17,S12,S10,D03,D08;影响因素实验表明,有机质的含量是影响沉积物对重金属铁吸附能力的主要影响因素之一,而沉积物对锰的吸附能力与阳离子交换量存在一定的关联性,有机质的含量几乎不影响沉积物对锰的吸附能力。因此,沉积物对重金属铁、锰的吸附系数K并不与其中单个理化性质有明显的相关性,这说明沉积物对铁、锰的吸附强度受多种沉积物理化性质控制。     

Simultaneous HPLC determination of 14 tricyclic antidepressants and metabolites in human plasma

A HPLC method has been developed for the simultaneous determination of seven tricyclic antidepressants (TCAs) and seven metabolites in human plasma. The analyte separation was obtained using a C8 reversed phase column and a mobile phase composed of 68% aqueous phosphate buffer at pH 3.0 and 32% ACN. The UV detector was set at 220 nm and loxapine was used as the internal standard. A careful pre‐treatment procedure for plasma samples was developed, using SPE on C2 cartridges, which gives satisfactory extraction yields (>80%) and good sample purification. The LOQs were always lower than 9.1 ng/mL and the LODs always lower than 3.1 ng/mL for all analytes. The method was successfully applied to plasma samples from depressed patients undergoing therapy with one or more TCA drugs. Precision data (RSD <8.1%), as well as accuracy results (recovery >80%), were satisfactory and no interference from other drugs was found. Hence the method seems to be suitable for the therapeutic drug monitoring of patients treated with TCAs under monotherapy or polypharmacy regimens.