(E)-2-Benzylidenebenzocyclanones: Part VII. Investigation of the conjugation reaction of two cytotoxic cyclic chalcone analogues with glutathione: an HPLC–MS study

Abstract  

The non-enzyme-catalyzed reaction of reduced glutathione (GSH) with two tumor cell cytotoxic cyclic chalcone analogues was investigated by reversed-phase high-performance liquid chromatography (RP-HPLC). HPLC analysis of the reaction mixtures indicated the formation of two diastereomeric chalcone–GSH adducts in each case, whose structural assignments were supported by MALDI-TOF-MS and HPLC–MS with electrospray ionization (ESI) measurements. Such reactivity accounts for the previously observed effect of the two cyclic chalcone analogues on the in vivo cellular thiol level of Jurkat T cells.     

IR laser absorption diagnostic for C2H4 in shock tube kinetics studies

An IR laser absorption diagnostic has been further developed for accurate and sensitive time‐resolved measurements of ethylene in shock tube kinetic experiments. The diagnostic utilizes the P14 line of a tunable CO₂ gas laser at 10.532 μm (the (0 0 1) → (1 0 0) vibrational band) and achieves improved signal‐to‐noise ratio by using IR photovoltaic detectors and accurate identification of the P14 line via an MIR wavemeter. Ethylene absorption cross sections were measured over 643–1959 K and 0.3–18.6 atm behind both incident and reflected shock waves, showing evident exponential decay with temperature. Very weak pressure dependence was observed over the pressure range of 1.2–18.6 atm. By measuring ethylene decomposition time histories at high‐temperature conditions (1519–1895 K, 2.0–2.8 atm) behind reflected shocks, the rate coefficient of the dominant elementary reaction C₂H₄ + M → C₂H₂ + H₂ + M was determined to be k₁ = (2.6 ± 0.5) × 10¹⁶exp(?34,130/T, K) cm³ mol^?1 s^?1 with low data scatter. Ethylene concentration time histories were also measured during the oxidation of 0.5% C₂H₄/O₂/Ar mixtures varying in equivalence ratio from 0.25 to 2. Initial reflected shock conditions ranged from 1267 to 1440 K and 2.95 to 3.45 atm. The measured time histories were compared to the modeled predictions of four ethylene oxidation mechanisms, showing excellent agreement with the Ranzi et al. mechanism (updated in 2011). This diagnostic scheme provides a promising tool for the study and validation of detailed hydrocarbon pyrolysis and oxidation mechanisms of fuel surrogates and realistic fuels. © 2012 Wiley Periodicals, Inc. Int J Chem Kinet 44: 423–432, 2012     

原子模型势理论中径向微分算符矩阵元的计算

本文推广［７，８］的工作，导出了多电子原子模型势理论中含径向微分算符的矩阵元通式，可直接用于以“速度”及“加速度”形式跃迁振子强度计算。     

超声雾化法制取金属粉末方法研究

本文介绍了利用超声振动能量制取超细金属粉末的超声雾化方法，提出了超声制粉雾化室，等离子枪，阴极、阳极喷咀及换能器振动系统的最佳尺寸和工作参数，给出了实验结果及制得的粉末显微结构照片．实验结果表明，用本文所述方法制得的金属粉末组成为：－80目粉占84呢，－120目粉占63．7啪，而用PREP方法制得的粉末分别占19．5％和11．7％，由此看来，用本方法制取超细金属粉，在粒度组成方面优于PREP方法．文中还对粉末冷却速度做了估算，得到了粉末平均冷却速度大于1×10_5k/5     

ComBn(m+n≤6)团簇的结构，电子特性和磁性研究

基于密度泛函理论和卡里普索结构预测方法,系统研究了ComBn(m+n≤6)团簇的结构,电子特性和磁性。首先,通过卡里普索结构预测方法获得了体系的基态和亚稳态结构。基于基态结构,利用HOMO-LUMO能隙,垂直电离势,垂直电子亲和势和化学硬度分析了掺杂体系的稳定性。最后,研究了基态结构对应的自然布局分布,自然电子组态等电子特性和磁性。     

基于多域特征提取和深度学习的声源被动测距*

由于实际海洋环境中存在大量的非高斯噪声,一些基于高斯假设的传统去噪方法在实际海洋环境中性能下降甚至失效。针对非高斯噪声,如α稳定分布噪声、非平稳行船噪声下的脉冲信号的去噪与重构,该文提出一种基于深度学习的方法。去噪模型首先通过学习带噪信号短时傅里叶变换谱与残差谱之间的映射关系以去除环境噪声,之后对去噪信号的时频谱进行逆变换重构脉冲信号。仿真实验结果表明,深度学习模型在非高斯噪声环境下脉冲信号的去噪与重构任务中有着良好的表现,在实测样本上也表现出良好的泛化性,体现了一定的工程应用价值。     

Consistent Initialization for Nonlinear Index-2 Differential–Algebraic Equation: Large Sparse Systems in MATLAB

An important component of any initial-value solver for higher-index differential–algebraic equations consists in the computation of consistent initial values. In a recent paper [5], an algorithm is proposed which is applicable to a very general class of index-2 systems. Unfortunately, the computational expense is rather high. We present a modification of this approach, which gives rise to a MATLAB implementation capable of handling systems of moderate dimension (several thousands of unknowns). The algorithm is illustrated by examples.     

Path continuity of fractional Dirichlet functionals

We prove that the quasi continuous version of a functional in E^p_r is continuous along the sample paths of the Dirichlet process provided that p>2, 0<r?1 and pr>2, without assuming the Meyer equivalence. Parallel results for multi-parameter processes are also obtained. Moreover, for 1<p<2, we prove that a n parameter Dirichlet process does not touch a set of (p,2n)-zero capacity. As an example, we also study the quasi-everywhere existence of the local times of martingales on path space.