弱M-可补子群对合成因子的影响

设G是有限群,P是G的一个Sylow p-子群,1<≤P。考虑|G|的素因子5和7,利用P的每一个阶为|D|的子群H在G中的弱M-可补性质,进一步探究了G的合成因子的结构。     

Observation of 18O/16O isotope effects at the cathode of a polymer electrolyte membrane fuel cell

¹⁸O/¹⁶O isotope effects were observed at the cathode of a polymer electrolyte membrane fuel cell at 25 and 35°C. Results of experiments in which the ¹⁸O/¹⁶O isotope ratios of the oxygen gases supplied to and exhausted from the cell were measured revealed that the lighter isotope ¹⁶O reacted more preferentially to form water molecules at the cathode than the heavier one, ¹⁸O. The value of the oxygen isotope separation factor, S₁, defined as the ratio of the ¹⁸O/¹⁶O isotope ratios of the oxygen gases supplied to and exhausted from the cell, ranged from 1.0030 to 1.0139, and tended to decrease with decreasing rate of oxygen utilisation (θ) and with increasing flow rate of the feed oxygen gas (D_F). The value of another separation factor, S₂, defined as the ratio of the ¹⁸O/¹⁶O isotope ratios of the exhausted oxygen gas and oxygen having reacted to form water molecules at the cathode, ranged from 1.0049 to 1.0304. The S₂ value was much less affected by the change in θ and D_F than the S₁ value with the majority of the S₂ value being in the range of 1.0240–1.0304.     

A theoretical study of the photoelectron spectra of dichloroketene with accurate computation of ionization energies via complete basis set limit extrapolation

We calculated the equilibrium geometries and harmonic vibrational frequencies of the ground state and five cationic states of dichloroketene using (TD-)B3LYP, PBE0, and M06/M06-2X approaches. The photoelectron spectra of dichloroketene were simulated by computing Franck-Condon factors. The ionization energies were computed using the CCSD(T) approach with extrapolation to the complete basis set (CBS) limit. We propose two new CBS energy formulas (E = E_CBS + Aexp(-x) + B/(x−1) ⁿ, n = 2 or 3) and compare the performance of different CBS approaches. A new ionic state of dichloroketene belonging to the C_s point group is reported. This state is identified as the first excited state of Cl₂CCO⁺ having a double-well potential-energy curve along the CCO bending mode with a barrier height of 1.335 eV. The simulated photoelectron spectra are in agreement with the experiment. The vertical ionization energies calculated via spectral simulation are more accurate compared with those obtained at the ground-state structure. Among the CBS formulas used, the proposed ansatz with n = 2 performs best, with a mean absolute error of 0.021 and 0.012 eV for the adiabatic and vertical ionization energies, respectively.     

超临界水临界区域判定方法研究

对超临界水在临界区域进行合理的判定和区域划分,对于深入理解超临界水在临界过渡区域的流动和换热相关特征具有重要的作用。本文分析了超临界水从拟液态区向拟汽态区过渡的过程中,其导热系数、动力粘度、定压比热和膨胀系数等相关参数的变化规律特征,并归纳了已有超临界水在临界区域的划分判定模型。分析结果表明,在临界过渡区域,超临界水的流动特征参数和换热特征参数均会发生一系列连续剧烈的变化;只有同时考虑超临界水的膨胀特性和最大比热特性,才能更加合理地对临界区域进行划分。在此分析基础上,本工作完善了超临界水的三区分析判定模型,得到了新的超临界水在临界区域的判定划分数据,并由此拟合得到了新的超临界水分区边界计算关系式。新的计算关系式的误差范围在±0. 3℃之内,满足计算分析的要求。     

Uptake,Translocation, and Bioaccumulation of Elements in Forest Nettle (Laportea alatipes)

Elements found in the edible parts of plants are considered to be the main source of nutrients for humans and animals. However, there is insufficient information on the relationship between heavy metal pollution in the growing soil of most edible plants. In this study, the distribution of elements in the edible forest nettle (Laportea alatipes) was evaluated as a function of geographical location. Forest land soils had higher concentrations of minor elements (Cu, Cr, Ni, and Zn) compared to soils from rural and suburban areas. Translocation factors for Cd and Pb showed effective translocation from the roots to the leaves; however, these heavy metals in leaves were still above South African maximum permissible levels for vegetables. Atmospheric depositions may play a significant role in higher Cd and Pb concentrations in the leaves. Bioaccumulation factors showed the plant to accumulate Cu, Mn, and Zn to meet physiological requirement levels. Geoaccumulation indices and enrichment factors showed no soil contamination or minimal enrichment by trace metals. Principal component analysis showed Co, Cr, Cu, Fe, Ni, Pb, and Zn in soil to originate from a common source which may be soil silicates and other minerals.     

A Coumarin Triflate Reagent Enables One-Step Synthesis of Photo-Caged Lipid Metabolites for Studying Cell Signaling

Photorelease of caged compounds is among the most powerful experimental approaches for studying cellular functions on fast timescales. However, its full potential has yet to be exploited, as the number of caged small molecules available for cell biological studies has been limited by synthetic challenges. Addressing this problem, a straightforward, one-step procedure for efficiently synthesizing caged compounds was developed. An in situ generated benzylic coumarin triflate reagent was used to specifically functionalize carboxylate and phosphate moieties in the presence of free hydroxy groups, generating various caged lipid metabolites, including a number of GPCR ligands. By combining the photo-caged ligands with the respective receptors, an easily implementable experimental platform for the optical control and analysis of GPCR-mediated signal transduction in living cells was developed. Ultimately, the described synthetic strategy allows rapid generation of photo-caged small molecules and thus greatly facilitates the analysis of their biological roles in live cell microscopy assays.     

Adaptive signal enhancement for overlapped peaks based on weighting factor selection

Peak-sharpening is an effective method for the peak position detection of overlapped spectra. However, the weighing factor parameter strongly affects the sharpening performance, and the derivative adopted in the peak-sharpening method is sensitive to noise. In this paper, an adaptive peak-sharpening method based on weighting factor selection is proposed. The relationship between the sharpening ratio and weighting factor is studied. In addition, the Savitzky–Golay filter is adopted due to its excellent noise reduction and peak shape retention abilities. First, the smoothed signal and second-order derivative signal are obtained by the Savitzky–Golay filter. Then, the parameters of the overlapped peaks are estimated for the weighting factor selection. Next, the peak position is detected by the peak-sharpening method. After that step, the estimated parameters are updated, and the above steps are iterated until the detection of the peak position converges. Finally, the converged results are considered to be the final detection results. The experimental results using a simulated dataset, a virtual mass spectra dataset and a polarography dataset show that the proposed method is effective for peak position detection.     

多层结构的阴极修饰层对有机电致发光器件的性能改善

为提高有机电致发光器件（OLEDs）的阴极电子注入效率,我们设计了新型的阴极杂化修饰层,其结构为Bphen∶LiF/Al/MoO₃,将其应用到器件ITO/NPB/Alq₃/Al中,参考器件的电子注入层选用传统材料LiF。实验研究表明,与传统的阴极修饰层LiF相比,基于这种杂化结构的阴极修饰层非常有效。测试了器件的电致发光光谱（EL谱）,其峰值位于534 nm,发光来自于Alq₃,实验中我们可以观察到明亮的绿色发光。将其与传统参考器件的EL谱进行对比,在电流密度40 mA·cm-2下,两个器件的电致发光光谱是一致的。在0～100 mA·cm-2范围内,对器件的EL谱进行了测试。实验结果表明,随着电流密度的增加,器件的发光增强,但是EL谱的形状和谱峰的位置是固定不变的。与参考器件对比,基于杂化修饰层的器件的发光性能更好。研究表明,杂化修饰层的最佳参数为Bphen∶LiF(5 nm; 6%)/Al(1 nm)/MoO₃(5 nm),在测试范围内,器件的最大电流效率和最大功率效率分别为4.28 cd·A-1和2.19 lm·W-1,相比参考器件提高了25.5%和23.7%。器件的电流密度-电压特性曲线表明阴极杂化修饰层可以增强电子的注入,使器件中的载流子更加平衡,从而提高了器件的发光性能。从两个角度对器件效率的增强进行了理论方面的论证。一方面利用阴极杂化修饰层的作用机制来解释。在HML中,LiF能填充Bphen的电子陷阱,增强电流的注入,同时HML也能限制空穴的传输,减小空穴电流。另一方面从电荷平衡因子的角度,HML增强了电子的注入,使得器件的电荷平衡因子增大,空穴和电子的平衡性更好。实验研究表明,阴极杂化修饰层很好地增强了器件的效率。     

Interaction of Love waves with coupled cavity modes in a 2D holey phononic crystal

The interaction of Love waves with square array of pillars deposited on a cavity defined in a 2D holey phononic crystal is numerically investigated using Finite Element Method. First, the existence of SH surface modes is demonstrated separately for phononic crystals that consist of square arrayed holes, or rectangular arrayed Ni pillars, respectively in, or on, a SiO₂ film deposited on a ST-cut quartz substrate. The coupling between SH modes and torsional mode in pillars induces a transmission dip that occurs at a frequency located in the range of the band-gap of the holey phononic crystal. Second, a cavity is constructed by removing lines of holes in the holey phononic crystal and results in a transmission peak that matches the dip. The optimal geometrical parameters enable us to create a coupling of the cavity mode and the localized pillar mode by introducing lines of pillars into the cavity, which significantly improved the efficiency of the cavity without increasing the crystal size. The obtained results will pave the way to implement advanced designs of high-performance electroacoustic sensors based on coupling modes in phononic crystals.     

Adsorption of benzene from benzene/n-C6 and n-C7 mixture by nano Beta zeolite with different Si/Al ratios

The adsorption of benzene from benzene/n-alkane mixtures was studied by two types of nano Beta zeolite with Si/Al ratios of 11.5 and 24.5. Benzene was adsorbed into benzene/n-hexane and n-heptane mixtures which had 0.5% up to 10% mole fraction of benzene using batch technique in the ambient temperature. The nano Beta zeolite has active sites on its surface, which have interaction with π electron in benzene, and this can increase the heat of adsorption. The Si/Al ratio defines the number of active sites in the zeolite surface and the heat of adsorption. However, an increase in the active sites of Beta zeolite declines the entropy of adsorption. Therefore, free energy of mixing specifies the potential of adsorption in Beta zeolite.As the results indicated in all mixtures, benzene is adsorbed more than n-hexane and n-heptane into the Beta zeolite surface, which suggests that this type of zeolite has a high separation factor (∼50) for benzene in Beta zeolite (Si/Al = 24.5). Also, Beta zeolite with Si/Al = 24.5 had a greater separation factor than Beta zeolite with Si/Al = 11.5 in similar mixtures.