Thermodynamic properties of gaseous cerium phosphate studied by Knudsen effusion mass spectrometry

Gaseous CePO₂ has been identified by Knudsen effusion mass spectrometry during vaporization of CeO₂ and magnesium diphosphate from tungsten double, two‐temperature effusion cell. Structure and molecular parameters of gaseous cerium phosphate under study were determined using quantum chemical calculations. On the basis of equilibrium constants measured for gas‐phase reaction, standard formation enthalpy of CePO₂ was determined to be ?508 ± 41 kJ ? mol^?1 at the temperature 298 K.     

以问题为导向的点-面式教学法在药剂学教学中的应用——以“手性”知识的教学为例

在药剂学课程教学中，为讲解传授“手性”相关的知识和概念，设计了一种新的教学法，并进行了实践应用。通过对该教学方法的总结和提炼，将以上教学法命名为“以问题为导向的点-面式教学法”。该教学法是以“反应停”具体事例为问题引导，提出和确定问题后，引出知识点，从药学相关领域知识面展开教学活动后，进行知识点总结，最后达成最终的教学目标。该教学法对教学实践工作有一定的参考价值。     

Use of a recently developed thermal modulator within the context of comprehensive two‐dimensional gas chromatography combined with time‐of‐flight mass spectrometry: Gas flow optimization aspects

The present research is based on the use of a recently developed comprehensive two‐dimensional gas chromatography thermal modulator, which is defined as solid‐state modulator. The transfer device was installed on top of a single gas chromatography oven, while benchtop low‐resolution time‐of‐flight mass spectrometry was used to monitor the compounds exiting the second analytical column. The solid‐state modulator was first described by Luong et al. in 2016, and it is a moving modulator that does not require heating and cooling gases to generate comprehensive two‐dimensional gas chromatography data. The accumulation and remobilization steps occur on a trapping capillary, this being subjected to thermoelectric cooling and micathermic heating. In this study, the effects of the gas linear velocity on the modulation performance were evaluated by using two different uncoated trapping capillaries, viz., 0.8 m × 0.25 mm id and 0.8 m × 0.20 mm id. Solid‐state modulator applications were carried out on a standard solution containing n‐alkanes (C_9, C_10, C₁₂), and on a sample of diesel fuel. The results indicated that the type of trapping capillary and gas velocity have a profound effect on modulation efficiency.     

Chemical profiling of bioactive constituents in hop cones and pellets extracts by online comprehensive two‐dimensional liquid chromatography with tandem mass spectrometry and direct infusion Fourier transform ion cyclotron resonance mass spectrometry

Humulus lupulus L. (hop) is highly interesting from a nutraceutical perspective. The hop phytocomplex contains a wide range of bioactive metabolites, and its characterization is challenging. To tackle such a task, for the first time we applied and compared a combined approach consisting of online comprehensive two‐dimensional liquid chromatography with tandem mass spectrometry and direct infusion Fourier transform ion cyclotron mass spectrometry. A reversed phase × reversed phase approach with a shifted gradient in the second dimension ensured selectivity and two‐dimensional space coverage. Hyphenation with an ion trap time‐of‐flight analyzer led to the identification of 83 compounds in 70 min, comprising a novel quercetin derivative and six unknown bitter acids. On the other hand, the direct infusion method was able to identify 40 analytes (except isomers) with high mass accuracy (≤ 0.1 ppm) in less than 1 min analysis time. The developed approach can be used in a complementary way, combining the separation capability and high informative spectra of two‐dimensional liquid chromatography tandem mass spectrometry with the ultra‐high mass accuracy of direct infusion, for potential compound discovery or the accurate profiling of bioactive compounds in different hop cultivars as well as for monitoring processing and storage of hop‐based products.     

并列双圆柱流致振动的不对称振动和对称性迟滞研究

对雷诺数Re = 100 间距比s/D = 2.5 和5.0 的并列双圆柱流致振动进行了数值模拟研究, 其中圆柱质量比m = 2.0, 折合流速U_r 在2.0~10.0 之间, 两圆柱仅能做横流向振动. 研究发现, 当间距比s/D = 2.5 时, 在折合流速4.4 < U_r< 4.8区间内, 两圆柱流致振动响应出现不对称振动现象, 在折合流速4.4 < U_r< 4.8 区间内, 两圆柱流致振动响应出现对称性迟滞现象; 而当间距比s/D = 2.5时, 圆柱流致振动响应与单圆柱涡激振动响应相似, 没有出现不对称振动和对称性迟滞现象. 在不对称振动区间内, 两圆柱的升、阻力参数也出现了不相等的情况. 此外, 当两圆柱不对称振动时, 圆柱间隙流稳定地偏斜向其中的一个圆柱; 相应地, 尾涡也出现了宽窄不等的模式. 窄尾流圆柱的振幅和升、阻力均较宽尾流圆柱的大. 通过对比不对称振动现象发生前后的尾涡模式, 对新现象的产生机制进行了阐述.     

Porous carbon nanospheres with moderately oriented domains for EDLC electrode

Porous carbon nanospheres with moderately oriented microcrystalline structures were prepared via a relatively simple synthetic route in this article. CTAB acted as a structure‐directing agent to induce small sulfonated pitch (SP) pieces to assemble orderly. By this means, the formation of carbon nanospheres was simultaneous with the moderate orientation of carbon microcrystalline without additional process. Owing to the moderately oriented microcrystalline structures, the resultant sample CNS3 possessed a high e‐conductivity of 62.5 S/m. When used as an electrode material for EDLCs, it showed excellent electrochemical properties even without any conductive agent. In an organic electrolyte, the resultant sample CNS3 possessed a high specific capacitance of 155 F/g at 20 A/g and outstanding cycle life with 94.2% capacity retention after 10,000 cycles. This work puts forward a novel design for carbon nanospheres with moderately oriented domains by a simple and energy‐efficient means.     

Accelerated long-range corrected exchange functional using a two-gaussian operator combined with one-parameter progressive correlation functional [LC-BOP(2Gau)]

Recently, we proposed a simple yet efficient method for the computation of a long-range corrected (LC) hybrid scheme [LC-DFT(2Gau)], which uses a modified two-Gaussian attenuating operator instead of the error function for the long-range HF exchange integral. This method dramatically reduced the computational time while maintaining the improved features of the LC density functional theory (DFT). Here, we combined an LC hybrid scheme using a two-Gaussian attenuating operator with one-parameter progressive correlation functional and Becke88 exchange functional with varying range-separation parameter values [LC-BOP(2Gau) with various μ values of 0.16, 0.2, 0.25, 0.3, 0.35, 0.4, and 0.42] and demonstrated that LC-BOP(2Gau) reproduces well the thermochemical and frontier orbital energies of LC-BOP. Additionally, we revised the scaling factors of the Gaussian multipole screening scheme for LC-DFT(2Gau) to correspond to the angular momentum of orbitals, which decreased the energy deviations from the energy with the no-screening scheme. © 2018 Wiley Periodicals, Inc.     

Carbon-Based Materials as Lithium Hosts for Lithium Batteries

Lithium (Li) metal has attracted significant attention in areas that range from basic research to various commercial applications due to its high theoretical specific capacity (3860 mA h g⁻¹) and low electrochemical potential (−3.04 vs. standard hydrogen electrode). However, dendrites often form on the surfaces of Li metal anodes during cycling and thus lead to battery failure and, in some cases, raise safety concerns. To overcome this problem, a variety of approaches that vary the electrolyte, membrane, and/or anode have been proposed. Among these efforts, the use of three-dimensional frameworks as Li hosts, which can homogenize and minimize the current density at the anode surface, is an effective approach to suppress the formation of Li dendrites. Herein, we describe the development of using carbon-based materials as Li hosts. While these materials can be fabricated into a variety of porous structures, they have a number of intrinsic advantages including low costs, high specific surface areas, high electrical conductivities, and wide electrochemical stabilities. After briefly summarizing the formation mechanisms of Li dendrites, various methods for controlling structural and surface chemistry will be described for different types of carbon-based materials from the viewpoint of improving their performance as Li hosts. Finally, we provide perspective on the future development of Li host materials needed to meet the requirements for their use in flexible and wearable devices and other contemporary energy storage techniques.     

Properties of Charmonium States in a Phenomenological Approach

We investigate the spectrum and decay rates of charmonium states within the framework of the non relativistic quark model by employing a Coulomb like potential from the perturbative one gluon exchange and the linear confining potential along with the potential derived from instanton vacuum to account for the hyperfine mass splitting of charmonium states in variational approach. We predict radiative E1, M1, two-photon, lepton and two-gluon decay rates of low lying charmonium states. An overall agreement is obtained with the experimental masses and decay widths.We have estimated the branching ratio of two gluons decaying into light hadrons.