天津高村井水位主要周期成分的干扰因素及特征分析

以天津高村井水位与气压观测数据及理论固体潮为研究对象,首先利用别尔采夫滤波滤除其日波、半日波;其次利用一般多项式分段曲线拟合(按月分段),将周期在1-2个月内的月波滤除;再次利用小波分析研究高村井水位分钟值与气压、理论固体潮的关系,结果表明:1)高村井水位观测主要周期有日波、半日波、1-2月的月波及年周期;2)高村井水位的日波、半日波主要的影响因素为固体潮,它们之间为线性关系;3)高村井水位1-2月的月波频段受气压影响较显著,井水位与气压呈线性关系;4)小波分析结果表明,在64-256min频段高村井水位与气压线性相关程度较高,受气压影响显著.     

瞬态辐射高温计动态线性响应范围测量

 动态线性是辐射高温计的一项重要技术指标与对高温计的测量精度、测量结果有重要影响。为了解影响辐射高温计动态线性的因素,采用LED脉冲光源和高线性光电探头发展了一种脉冲线性测量方法,并对一种基于光电倍增管（PMT）的瞬态辐射高温计在不同工作条件下的动态线性响应进行了测量。结果表明,PMT的结构、分压器电路和工作电压对动态线性响应范围有显著的影响。测量和研究结果为研制高性能瞬态辐射高温计及其使用提供了重要的设计和参照依据。     

重玻璃高压声速精密测量与反向加载光分析技术研究

研究了重玻璃黑体窗光分析技术,提出采用无氧铜标准样品(Hugoniot参数和声速 压力曲线已知)进行反向加载,确定重玻璃窗中的波后卸载声速,分析了声速测量不确定度。获得了76～160GPa压力范围内重玻璃Hugoniot参数、冲击温度和卸载声速的实验数据,声速测量不确定度小于2%。分析比较了不同装配条件对波形质量和声速测量不确定度的影响,发展了反向加载光分析技术。     

Microcalorimetric investigation of six alkaloids from Radix Aconite Lateralis Preparata (Fuzi) on the metabolic activity of mitochondria isolated from rat liver

Using the TAM air isothermal microcalorimeter, the thermogenic power–time (HP–time) curves of isolated mitochondrial energy metabolism were measured, and the effects of six alkaloids from Radix Aconite Lateralis Preparata (Fuzi) including mesaconitine, aconitine, hypaconitine, benzoylmesaconine, benzoylaconine, and benzoylhypaconine on mitochondrial energy metabolism were investigated. Some quantitative information, such as k, P _max, T _max, Q, P _av, and T _lag, was obtained from the HP–time curves. The results revealed that mesaconitine, aconitine, and hypaconitine had inhibitory effect on rat-isolated mitochondrial energy metabolism, and their IC₅₀ value was 1.82, 2.22, and 2.48 μg mL⁻¹, respectively, while benzoylmesaconine, benzoylaconine, and benzoylhypaconine promoted mitochondrial energy metabolism, and their EC₅₀ value was 30.95, 14.36, and more than 30 μg mL⁻¹, respectively. Further structure–activity relationship analysis showed that the ester bond in C(8) position, hydroxyl in C(3) position, and ethyl in N atom could significantly influence the energy metabolism. These results provide scientific basis for the treatment of mitochondrial abnormalities and energy dysfunction diseases using Fuzi, and it will be of great interest to doctors and pharmacists.

     

基于能量的轨线面跳跃新退相干修正方法

本文受轨线分叉修正面跳跃(BCSH)方法[J. Xu and L. Wang, J. Chem. Phys. 150，164101 (2019)]的启发，提出了两种轨线面跳跃新退相干时间计算公式. 本研究的线型和指数型公式均将退相干时间刻画为绝热势能面之间能差的函数，能够准确地描述BCSH预测的由波包反射导致的退相干效应. 在包含了200个多样化的系列模型中，采用不同的初始核动量，以精确全量子解为参考，对涉及的参数进行了系统训练. 相比广泛使用的退相干公式，两种新方法在Tully的三个标准模型中都显著地提高了可靠性，并保持高计算效率.     

高效液相色谱串联质谱法测定中药注射剂对P815细胞脱颗粒后上清液中组胺含量

建立了液相色谱-串联质谱(LC-MS/MS)检测P815细胞脱颗粒后上清液中组胺含量的方法。采用C18柱(4.6 mm×100 mm,3.5μm)进行分离,以体积比为60∶40的乙腈-0.5 mmol/L乙酸铵溶液(含0.3%甲酸)为流动相,流速0.4 mL/min;在电喷雾正离子化模式下,采用多离子反应检测方式(MRM)进行检测;检测离子对为m/z 112>95、112>68。在优化条件下,样品可在6 min内完成分析,细胞液中组胺在4.0～128.0μg/L范围内线性关系良好(r2=0.997 9)。定量下限(S/N>10)为1.2μg/L,检出限(S/N=3)为0.3μg/L。在加标水平为16、64、128μg/L时,细胞上清液中组胺的平均回收率为90%～94%,相对标准偏差(n=6)为4.1%～5.9%。该方法简便、灵敏、重复性好,可用于中药注射剂对P815细胞脱颗粒后上清液中组胺含量的测定。     

Ti(Ⅳ)/PNP/MAO体系催化乙烯齐聚的研究

合成了三种PNP配体,并与Ti(Ⅳ)作用形成催化剂,利用核磁共振氢谱、元素分析及质谱对配体及催化剂进行了结构表征。在助催化剂甲基铝氧烷(MAO)存在的条件下,催化乙烯齐聚。试验结果表明:钛(Ⅳ)剂催化活性最高可达2.58×105g/(molTi.h),α-烯烃选择性达80.72%。     

New Energy-Based Decoherence Correction Approaches for Trajectory Surface Hopping

Inspired by the branching corrected surface hopping (BCSH) method [J. Xu and L. Wang, J. Chem. Phys. 150 , 164101 (2019)], we present two new decoherence time formulas for trajectory surface hopping. Both the proposed linear and exponential formulas characterize the decoherence time as functions of the energy difference between adiabatic states and correctly capture the decoherence effect due to wave packet reflection as predicted by BCSH. The relevant parameters are trained in a series of 200 diverse models with different initial nuclear momenta, and the exact quantum solutions are utilized as references. As demonstrated in the three standard Tully models, the two new approaches exhibit significantly higher reliability than the widely used counterpart algorithm while holding the appealing efficiency, thus promising for nonadiabatic dynamics simulations of general systems.     

一类具有周期脉冲的差分系统的汽车近稳定性

建立了-类具有常系数周期脉冲的差分系统,得到了该常数脉冲系统周期解存在且渐近稳定的充分条件,最后把此研究方法应用到文[6]当中也同样适用,并简化了证明过程.     

A New Group Theoretical Approach to the Nonorthogonal Problem in Valence Bond Theory

Introduction There has been a very significarnt resurgence of interest in ab initio valence bond calculations recently. This is because the VB calculation based on nonorthogonal basis can provide intuitive understanding about many very important phenomena in chemistry. However, practical calculation based on nonorthogonal basis is still a great challenge even to deal with a quite small system due to the well-known N! (or