(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.     

X-ray CT in the detection of palm weevils

Early detection of the red palm weevils (RPW) is a major challenge in agriculture among all kinds of palm trees due to the nature of the insect and the difficulty to trace them through their life stages associated with the tree life. Many methods have been applied for the weevil detection such as X-ray diffraction techniques, fluoroscopy and ultrasound. On the other hand, the idea of tomography has been used for other purposes such as the determination of the age of the tree and for applied environmental studies. Such technology can also reveal the weevil in principle. In this study, we explore the use of X-ray CT for weevil detection with the Monte Carlo method. A model of the stem of a palm tree is developed for simulations. MCNPX is chosen to carry out the simulations for the radiography tally in the code. The tally records the 2D data of the X-ray beams irradiating the tree model. An iterative reconstruction method for cone beam CT is applied to obtain the 3D slices of the tree model. We are exploring the minimum number of projection angles and the detectability of the weevil. We shall also report the sensitivity of weevil detection using X-ray CT with a large set of simulations with different weevil sizes and tree diameters.     

A ruthenium(II) hydride carbonyl complex with 4-phenylpyrimidine as co-ligand

The reaction of [RuHCl(CO)(PPh₃)₃] with 4-phenylpyrimidine gave a new ruthenium(II) complex, namely [RuHCl(CO)(PPh₃)₂(pyrim-4-Ph)]. The complex has been studied by IR and UV?Cvis spectroscopy and by X-ray crystallography. The molecular orbitals of the complex have been calculated by density functional theory. The spin-allowed singlet?Csinglet electronic transitions of the complex have been calculated by time-dependent DFT, and the UV?Cvis spectrum of the compound has been discussed on this basis. The emission properties of the complex were also studied.     

Uncertainty quantification in a chemical system using error estimate-based mesh adaption

This paper describes a rigorous a posteriori error analysis for the stochastic solution of non-linear uncertain chemical models. The dual-based a posteriori stochastic error analysis extends the methodology developed in the deterministic finite elements context to stochastic discretization frameworks. It requires the resolution of two additional (dual) problems to yield the local error estimate. The stochastic error estimate can then be used to adapt the stochastic discretization. Different anisotropic refinement strategies are proposed, leading to a cost-efficient tool suitable for multi-dimensional problems of moderate stochastic dimension. The adaptive strategies allow both for refinement and coarsening of the stochastic discretization, as needed to satisfy a prescribed error tolerance. The adaptive strategies were successfully tested on a model for the hydrogen oxidation in supercritical conditions having 8 random parameters. The proposed methodologies are however general enough to be also applicable for a wide class of models such as uncertain fluid flows.     

Research on the price game model for four oligarchs with different decision rules and its chaos control

Based on the actual competition in the Chinese property insurance market, the repeated price game model for four oligarchs with different decision rules is built. On the basis of analyzing the stabilities of eight fixed points about the four-dimensional dynamic system, the Nash equilibrium and its local stable region are discussed mainly. Then the complexity of the four-dimensional discrete dynamic system and its evolutionary process are studied. Finally, the delay feedback control method is used to control the chaos. Numerical simulation results have shown that the influence which the change of price adjustment speed has on the movement of dynamic system has a sensitive dependence on the initial conditions, and there is a strong connection between the profit of each oligarch and the price adjustment speed or the control parameters, and the corresponding economic explanation to those phenomena will have important reference values to the realistic problems.     

Diffraction integral for misaligned systems and interference effects of optical arrays

Summary In the present paper, a diffraction integral formula for a misaligned optical system is derived. The interference effects of opticalelement arrays are studied by means of such a formula. The possibility of eliminating interference fringes is discussed. The conclusion is that the interference fringes could be eliminated when the αβγδ condition for arrays is satisfied. The synthetical aberration is simultaneously eliminated. However, in this case, the synthetical image coincides with the individual images. For some special application, the synthetical image does not coincide with the individual images and the αβγδ condition is not fulfilled. But the interference fringes may disappear in some special cases.

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Riassunto La formula di Collins, che esprime il cammino ottico fra un punto del piano oggetto e un punto del piano immagine nel caso di un sistema ottico centrato, è generalizzata al caso di un sistema ottico disallineato. La formula cosí ottenuta è applicata allo studio del fenomeno d’interferenza che ha luogo nel piano della cosiddetta ?immagine sintetica? fra i vari fasci emergenti da una cortina di elementi ottici. Si discutono infine le condizioni in cui non si hanno frange d’interferenza sull’immagine sintetica.

     

棒状分子聚合物溶液的微宏观数值模拟

利用微宏观耦合方法模拟了棒状分子聚合物溶液在平板Couette流动中的复杂流变行为,其中微宏观模型通过非均匀Doi理论来描述.数值模拟中,应用有限体积方法耦合求解了介观尺度上的Smoluchowski方程和宏观尺度上的流场守恒方程.数值结果不仅得到了若干种典型的流动类型,而且还预测了另外两种新的复合瑕疵结构.数值试验表明：棒状分子聚合物的流变结构主要依赖于De数、分子相对尺度以及溶液浓度常数的取值;并且De数对分子指向矢的翻滚周期、随流取向角等微观特性也均有明显影响. 关键词： 棒状分子 聚合物溶液 微宏观模拟     

弹体尾部轴对称干扰流场数值模拟

绕弹体的超声速气流与发动机喷流相互作用,在尾部形成复杂的干扰流场。本文用有限差分法求解全N-S方程,对这一复杂流场进行了数值模拟,得到了实验观察到的各种流场结构及其随喷口压力比的变化规律。外流M_∞=1.94,R_e∞=2.2×10⁵,喷流M_j=3.0,喷口压力比p_j/p_∞分别为1.03,0.527,0.15三种。差分算法为一种改进的Beam-Warming格式。计算底部压力和激波在喷流中心的反射位置与实验数据进行了比较,吻合较好。