SPME-GC-MS分析瀑布毛峰茶叶的赋香成分

采用顶空-固相微萃取法(SPME)从瀑布毛峰茶叶中提取挥发性成分,用气相色谱-质谱法(GC-MS)分析其组成。从一级和特级茶叶中分别鉴定了相对含量大于0.50%的化合物48个和41个,其中共同组分27个。一级瀑布毛峰茶叶的主要挥发性成分有壬醛(9.22%),芳樟醇(4.75%),牛儿醇(4.07%),(Z)-3-己烯-1-醇(3.53%),十一醛(3.16%),邻苯二甲酸二异丁酯(2.94%),十六烷(2.35%),己醛(2.00%),1-辛醇(1.97%),6-甲基-5-庚烯-2-酮(1.86%)。特级瀑布毛峰茶叶的主要挥发性成分有:壬醛(8.85%),1-辛烯-3-醇(6.37%),十一醛(4.81%),2,5,5-三甲基-1-己烯(2.84%),辛醛(2.73%),1-辛醇(2.63%),6-甲基-5-庚烯-2-酮(2.60%),芳樟醇(2.20%),1-戊醇(2.20%),己醛(2.16%)。两个等级的瀑布毛峰茶的主要挥发性成分大致相同,但各成分的含量存在一定差异。     

近红外光谱法快速测定淫羊藿中淫羊藿苷和朝藿定C

基于近红外光谱法对淫羊藿中有效成分淫羊藿苷和朝藿定C的含量进行快速同时定量分析,采用偏最小二乘法(PLS)建立近红外光谱信息与预测组分含量间的数学校正模型。结果表明通过标准正态变量转换(SNV)与一阶导数对光谱进行预处理,所建立的淫羊藿苷和朝藿定C的校正模型效果最佳。淫羊藿苷与朝藿定C校正集均方差(RM SEC)分别为0.217、0.718;相关系数分别为0.9825、0.9863;预测均方差(RM SEP)分别为0.155,0.297。该方法简单、准确,更适合于淫羊藿药材中主要成分的快速分析。     

Ne同位素替代下Ne-HF碰撞截面的理论计算

采用Huxley势函数拟合QCISD(T)/ aug-cc-pVTZ计算的相互作用势能面,通过精确度较高的密耦近似方法计算了E=100 meV时,氖原子的三种同位素 ¹⁶Ne, ²⁰Ne, ³⁴Ne与HF分子碰撞系统的微分截面和分波截面.探讨了Ne的同位素替代引起的Ne-HF碰撞激发 截面的变化规律.     

First-principles investigation on the elastic stability and thermodynamic properties of Ti2SC

Using Vanderbilt-type plane-wave ultrasoft pseudopotentials within the generalized gradient approximation（GGA） in the frame of density functional theory（DFT）,we have investigated the crystal structures,elastic,and thermodynamic properties for Ti2SC under high temperature and high pressure.The calculated pressure dependence of the lattice volume is in excellent agreement with the experimental results.The calculated structural parameter of the Ti atom experienced a subtle increase with applied pressures and the increase suspended under higher pressures.The elastic constants calculations demonstrated that the crystal lattice is still stable up to 200 GPa.Investigations on the elastic properties show that the c axis is stiffer than the a axis,which is consistent with the larger longitudinal elastic constants（C 33,C 11） relative to transverse ones（C 44,C 12,C 13）.Study on Poisson＇s ratio confirmed that the higher ionic or weaker covalent contribution in intra-atomic bonding for Ti2SC should be assumed and the nature of ionic increased with pressure.The ratio（B/G） of bulk（B） and shear（G） moduli as well as B/C 44 demonstrated the brittleness of Ti2SC at ambient conditions and the brittleness decreased with pressure.Moreover,the isothermal and adiabatic bulk moduli displayed opposite temperature dependence under different pressures.Again,we observed that the Debye temperature and Gru篓neisen parameter show weak temperature dependence relative to the thermal expansion coefficient,entropy,and heat capacity,from which the pressure effects are clearly seen.     

The dynamics of an impulsive one-prey multi-predators system with delay and Holling-type II functional response

Considering the effects of changing environments, delays, impulses and functional response, a one-prey multi-predators system is established in this paper. Using comparison theorem and some analysis techniques, sufficient conditions ensuring the global attractivity of the prey-extinction positive periodic solution and the permanence of the system are obtained. Finally, examples and numerical simulations are given to show the effectiveness of the main results.     

Evolution of magnetic permeability and magneto-impedance effect in composite wires with insulator layer

CuBe/Insulator/NiCoP composite wire was prepared by electroless deposition on an insulated CuBe core with a diameter of 90 μm. The conversion relationship between the magneto-impedance and effective magnetic permeability of the composite wire was derived from an energy conversion model. The evolution of the magnetic permeability and the giant magneto-impedance (GMI) effect were investigated. The results show that a distinct GMI effect can be obtained at relatively low frequency. The largest GMI ratio is 240% at 600 kHz, and the maximal field sensitivity is 34%/Oe.     

混合有限元法的误差估计

1.引言 Brezzi和Babuska的[2]与[3]对混合法的抽象框架作用显著,但其中一个主要假设——通常称为Babuska·Brezzi稳定性条件——在很多例子中对通常选取的模并不满足.在[1]中,Falk和Osborn又提供一条途径分析混合法,仅用标准的Sobolev模便得到最     

N-O螯合配体协同膦配体的银(Ⅰ)混配配合物的设计、结构和生物活性

合成了一种Ag （Ⅰ）配合物[Ag （Qina）（Tpp）₂]·1.5H₂O （Qina=2-喹啉羧酸根,Tpp=三苯基膦）。运用单晶X射线衍射、IR、NMR和粉末X射线衍射对配合物的结构进行了表征。配合物属于单斜晶系,C2/c空间群,晶胞参数：a=3.195 90（13） nm,b=1.210 96（4） nm,c=2.319 74（7） nm,β=102.166（4）°,V=8.776 0（5） nm³,Z=8。通过Hirshfeld表面分析,推导出配合物的超分子结构和分子间弱作用力。同时,通过DNA结合活性测试、抗菌活性和癌细胞体外毒活性测试,评价了配合物的生物活性。     

Spectroscopic study of TMOS–TMSM–MMA gels: Previously identification of the networks inside the hybrid material

A 3-(trimethoxy-silyl)propyl methacrylate (TMSM)–methylmethacrylate (MMA)–tetramethyl-orthosilicate (TMOS) hybrid glass, has been prepared using a sol–gel process. In order to study the influence of each of the inorganic matrices, the gels obtained from TMOS and TMSM have been studied separately, the hybrid compound, they have been investigated using Raman spectroscopic, FT-IR and NMR techniques. The networks formed in both TMOS and TMSM gels have been identified. Upon condensation of TMOS a tridimensional array including defect was formed, that results in a certain discontinuity of the material. Nevertheless, the characteristics of this structure have that of molten quartz (glassy silica). By contrast, room temperature condensation of TMSM gave rise to several structurally different species in suspension in the gel. The species have been identified. The insertion of TMSM in an organic network modified its degree of periodicity. The integration of TMOS into a silica network occurred through the formation of rings which link together various silica blocks originated from TMOS. Interpretation of Raman diffusion data shows that the glass still contains non-condensed silanol groups and that low molecular weight cyclic, caged polysilsesquioxanes are formed from condensed TMSM. No organic–inorganic phase separation has been observed. The organic part of the glass has been investigated by Raman Spectroscopy from a microscopic point of view. It has helped understand the competition between condensation and polymerization, and it has been shown that polymerization was not fully completed. This has been confirmed by DSC. Raman spectra have also shown that the inorganic network was mainly three-dimensional. NMR studies confirmed that condensation occurred several times on the active SiO bonds.     

PM2.5 in China: Measurements,sources, visibility and health effects,and mitigation

Concern over the health effects of fine particles in the ambient environment led the U.S. Environmental Protection Agency to develop the first standard for PM_2.5 (particulate matter less than 2.5 μm) in 1997. The Particle Technology Laboratory at the University of Minnesota has helped to establish the PM_2.5 standard by developing many instruments and samplers to perform atmospheric measurements. In this paper, we review various aspects of PM_2.5, including its measurement, source apportionment, visibility and health effects, and mitigation. We focus on PM_2.5 studies in China and where appropriate, compare them with those obtained in the U.S. Based on accurate PM_2.5 sampling, chemical analysis, and source apportionment models, the major PM_2.5 sources in China have been identified to be coal combustion, motor vehicle emissions, and industrial sources. Atmospheric visibility has been found to correlate well with PM_2.5 concentration. Sulfate, ammonium, and nitrate carried by PM_2.5, commonly found in coal burning and vehicle emissions, are the dominant contributors to regional haze in China. Short-term exposure to PM_2.5 is strongly associated with the increased risk of morbidity and mortality from cardiovascular and respiratory diseases in China. The strategy for PM_2.5 mitigation must be based on reducing the pollutants from the two primary sources of coal-fired power plants and vehicle emissions. Although conventional Particulate Emission Control Devices (PECD) such as electrostatic precipitators in Chinese coal-fired power plants are generally effective for large particles, most of them may not have high collection efficiency of PM_2.5. Baghouse filtration is gradually incorporated into the PECD to increase the PM_2.5 collection efficiency. By adopting stringent vehicle emissions standard such as Euro 5 and 6, the emissions from vehicles can be gradually reduced over the years. An integrative approach, from collaboration among academia, government, and industries, can effectively manage and mitigate the PM_2.5 pollution in China.