Comprehensive Profiling by Non-targeted Stable Isotope Tracing Capillary Electrophoresis-Mass Spectrometry: A New Tool Complementing Metabolomic Analyses of Polar Metabolites

Mass spectrometry (MS) driven metabolomics is a frequently used tool in various areas of life sciences; however, the analysis of polar metabolites is less commonly included. In general, metabolomic analyses lead to the detection of the total amount of all covered metabolites. This is currently a major limitation with respect to metabolites showing high turnover rates, but no changes in their concentration. Such metabolites and pathways could be crucial metabolic nodes (e.g., potential drug targets in cancer metabolism). A stable-isotope tracing capillary electrophoresis–mass spectrometry (CE-MS) metabolomic approach was developed to cover both polar metabolites and isotopologues in a non-targeted way. An in-house developed software enables high throughput processing of complex multidimensional data. The practicability is demonstrated analyzing [U-¹³C]-glucose exposed prostate cancer and non-cancer cells. This CE-MS-driven analytical strategy complements polar metabolite profiles through isotopologue labeling patterns, thereby improving not only the metabolomic coverage, but also the understanding of metabolism.     

Revealing and comparing different excited-state intramolecular proton transfer processes for 3-(4-dimethylamino-phenyl)-1-(4-fluoro-2-hydroxy-phenyl)-propenone and 3-(4-dimethylamino-phenyl)-1-(4-fluoro-2-hydroxy-phenyl)-3-hydroxy-propenon

Two novel 2′-hydroxychalcone derivatives (i.e., M1 and M2) are explored in this work. We mainly focus on investigating the effects of photoexcitation on hydrogen bonds and on the excited-state intramolecular proton transfer (ESIPT) process. On the basis of calculations of electrostatic potential surface and intramolecular interactions, we verify the formation of hydrogen bond O1 H2···O3 in both S₀ and S₁ states. Exploring the ultraviolet–visible spectra in the liquid phase, our simulated results reappear in the experimental phenomenon. Analyzing molecular geometry and infrared stretching vibrational spectra, we confirm O1 H2···O3 is strengthened for both M1 and M2 in the S₁ state. We further confirm that charge redistribution facilitates ESIPT tendency. Constructing potential energy curves, we find the ultrafast ESIPT behavior for M1, which is because of the deficiency of side hydroxyl moiety comparing with M2. This work makes a reasonable affiliation of the ESIPT mechanism for M1 and M2. We wish this paper could facilitate understanding these two novel systems and promote their applications.     

The polar ionosphere at Zhongshan station on May 11, 1999, the day the solar wind almost disappeared

The solar wind almost disappeared on May 11, 1999: the solar wind plasma density and dynamic pressure were less than 1cm⁻³ and 0.1 nPa respectively, while the interplanetary magnetic field was northward. The polar ionospheric data observed by the multi-instruments at Zhongshan Station in Antarctica on such special event day was compared with those of the control day (May 14). It was shown that geomagnetic activity was very quiet on May 11 at Zhongshan. The magnetic pulsation, which usually occurred at about magnetic noon, did not appear. The ionosphere was steady and stratified, and the F₂ layer spread very little. The critical frequency of day-side F₂ layer, f₀F₂, was larger than that of control day, and the peak of f₀F₂ appeared 2 hours earlier. The ionospheric drift velocity was less than usual. There were intensive auroral E_s appearing at magnetic noon. All this indicates that the polar ionosphere was extremely quiet and geomagnetic field was much more dipolar on May 11. There were some signatures of auroral substorm before midnight, such as the negative deviation of the geomagnetic H component, accompanied with auroral E_s and weak Pc3 pulsation.

     

A finite model property for RMImin

It is proved that the variety of relevant disjunction lattices has the finite embeddability property. It follows that Avron's relevance logic RMI _min has a strong form of the finite model property, so it has a solvable deducibility problem. This strengthens Avron's result that RMI _min is decidable. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

不同入射角度下强流脉冲电子束能量沉积剖面和束流传输系数模拟计算

 强流脉冲电子束在材料中的能量沉积剖面、能量沉积系数和束流传输系数受其入射角的影响很大，理论计算了0.5~2.0MeV的电子束以不同的入射角在Al材料中的能量沉积剖面和能量沉积系数，并且还计算了0.4~1.4MeV电子束以不同入射角穿透不同厚度C靶的束流传输系数。计算结果表明，随着入射角的增大，靶材表面层单位质量中沉积的能量增大，电子在靶材料中穿透深度减小，能量沉积系数减小，相应的束流传输系数也减小；能量为0.5~2.0MeV的电子束当入射角在60°~70°时在材料表面层单位质量中沉积的能量较大。     

Ionic conductivity of multiarm star polymer/LiClO4 electrolytes

A series of polymer electrolytes based on multiarm polymers and lithium salt complexes were characterized by Fourier transform infrared spectroscopy (FTIR), differential scanning calorimetry (DSC), and impedance measurement. The relationships of conductivity with salt concentration, temperature, and arm numbers are discussed. It is suggested that the star polymer has a higher solvency and ion transfer ability on lithium salts than on linear polymers. The conductivity maximum appeared at a higher salt concentration ([EO]/[Li] = 4). Impedance measurement suggested that the optimum conductivity was 2 × 10^?4 s · cm^?1. The conductivity increased with temperature and the dependence of ionic conductivity on temperature fits the Arrhenius equation. Among the studied systems, the star polymer with a five arm number performs better than other structures. © 2004 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 42: 4195–4198, 2004     

确定线性偏微分方程组可积系统的对合特征集方法

基于Ritt-Wu特征集方法和Riquier-Janet理论,给出一种将线性微分方程组化成简单标准形式的有效算法．该算法通过消去冗余和添加可积条件获得线性微分方程组的完全可积系统(有形式幂级数解)或不相容判定．该算法不仅适用于常系数的线性偏微分方程组,而且对于变系数(以函数为系数)仍然有效．作者还给出了完全可积系统判定定理及其严格证明．     

In situ observation of NaBi(WO4)2 dendrite growth and the study on microstructure of solidification

The dendrite growth process of transparent NaBi(WO₄)₂ with small prandtl and high melting point was studied by using the in-situ observation system. According to the dynamic images and detailed information, there are two kinds of restriction effect on the dendrite growth, the competition between arms and branches and the convection in the melt. The dendrite growth rate was time dependent, and the rate of arm growth reached the maximum 5.8 mm/s in the diffusive-advective region and rapidly decreased in the diffusive-convective region. The growth rate of branch had the same change trends as the arm’s. Based on the EPMA-EDS data of solidification structure of quenched NaBi(WO₄)₂ melt, it was found that there were component differences from stoichiometric concentration in the melt near the interface during the growth process. Supported by the National Natural Science Foundation of China (Grant No. 50331040) and the Innovation Funds from Shanghai Institute of Ceramics, Chinese Academy of Sciences (Grant No. SCX0623)     

HeI photoelectron spectroscopic (PES) and quantum chemistry study on the dimeric compound of 2(5H) furanone

The He1 photoelectron (PE) spectra of both 2(5H) furanone and itstrans-chair-dimeric-compound (t-c-DFN) are reported. The assignment of the PES bands is made on the basis of band shapes, the PES results of the molecules which have the similar atomic groups, and the restricted Hartree-Fock (RHF) calculations for the molecules studied. From the results of both PES experimental and theoretical calculations, it is proved that the ionization potential (IPS) of the HOMO for the dimeric-compound is lower than that of the HOMO for the monomer. And the total energy computed for thet-c-DFN is the lowest in the four possible configurations of dimeric-compounds of 2(5H) furanone. Therefore the synthesis oft-c-DFN is also the easiest. Project supported by the National Natural Science Foundation of China.     

Q-正则Loewner空间中的拟对称映射

本文在Q-正则Loewner空间中用环模不等式刻划了拟对称映射.另外,在 Q-维Ahlfors-David正则空间中建立了拟对称映射作用下的Grotzsch-Teichmuller型 模不等式,它是通过伸张系数的积分平均来表示.