Investigation of 515 nm green-light emission for full color emission LaAlO3 phosphor with varied valence Eu

Photoluminescence and lifetime decay properties of varied valence Eu were employed to investigate the luminescence mechanism of green-light emission positioned at ∼515 nm for full color emission LaAlO₃ phosphor co-doped with Eu²⁺ and Eu³⁺. The enhanced ⁵D₂→⁷F₃ transition emission of Eu³⁺ was assigned for this green emission. Energy transfer between Eu²⁺ and ⁵D₂ level of Eu³⁺ was proposed, which results in the enhancement of ⁵D₂→⁷F₃ transition emission. In addition, energy transfer relations between host-Eu and charge transfer state (CTS)-Eu were also discussed associated with the PLE spectra and band schemes.     

From crystalline to glassy gallium fluoride materials: an NMR study of Ga and Ga quadrupolar nuclei

Owing to the implementation of acquisition techniques specific for nuclei with very large quadrupolar interaction (full shifted echo and variable offset cumulative spectra (VOCS)), NMR spectra of ⁶⁹Ga and ⁷¹Ga are obtained in crystallised (PbGaF₅, Pb₃Ga₂F₁₂, Pb₉Ga₂F₂₄ and CsZnGaF₆) and glassy (PbF₂–ZnF₂–GaF₃) gallium fluorides. Simulations of both static (full echo or VOCS) and 15 kHz MAS spectra allow to obtain consistent determinations of isotropic chemical shifts and very large quadrupolar parameters (ν_Q up to 14 MHz). In the crystalline compounds whose structures are unknown, the number and the local symmetry of the different gallium sites are tentatively worked out. For the glassy systems, a continuous Czjzek's distribution of the NMR quadrupolar parameters accounts for the particular shape of the NMR spectrum.     

Smash Products of H-Simple Module Algebras

Let H be a finite-dimensional Hopf algebra and A a finite-dimensional H-simple left H-module algebra. We show that the smash product A#H is isomorphic to End _A′(V ? H*), where V ≠ 0 is a finite-dimensional left A-module and (A′, V′) the stabilizer of (A, V). As an application it is proved that A#H is isomorphic to a full matrix algebra over A′ when H is semisimple and dim V|dim A.     

Elementary Andreev processes in a driven superconductor–normal metal contact

We investigate the full counting statistics of a voltage-driven normal metal(N)–superconductor(S) contact. In the low-bias regime below the superconducting gap, the NS contact can be mapped onto a purely normal contact, albeit with doubled voltage and counting fields. Hence in this regime the transport characteristics can be obtained by the corresponding substitution of the normal metal results. The elementary processes are single Andreev transfers and electron- and hole-like Andreev transfers. Considering Lorentzian voltage pulses we find an optimal quantization for half-integer Levitons.     

Highly sensitive non‐isotopic restriction endonuclease fingerprinting of nucleotide variability in the gp60 gene within Cryptosporidium species,genotypes and subgenotypes infective to humans,and its implications

The high‐resolution analysis of genetic variation has major implications for the identification of parasites and micro‐organisms to species and subspecies as well as for population genetic and epidemiological studies. In this study, we critically assessed the effectiveness of a PCR‐based restriction endonuclease fingerprinting (REF) method for the detection of mutations in the 60 kDa glycoprotein gene (gp60) of Cryptosporidium, a genus of parasitic protists of major human and animal health importance globally. This gene displays substantial intraspecific variability in sequence, particularly in a TCA (perfect and imperfect) microsatellite region, is present as a single copy in the nuclear genome and is used widely as a marker in molecular epidemiological studies of Cryptosporidium hominis and C. parvum, the two predominant species that infect humans. The results of this study demonstrated an exquisite capacity of REF to detect nucleotide variability in the gp60 gene within each of the two species. The differentiation of genotypes/subgenotypes based on REF analysis was supported by targeted sequencing, allowing the detection of levels of variation as low as a single‐nucleotide transversion for amplicons of ∼1 kb in size. The high‐throughput potential and relatively low‐cost of REF make it a particularly useful tool for large‐scale genetic analyses of C. hominis and C. parvum. REF could also be utilized for comparative surveys of genetic variability across large nuclear genomic regions. Such analyses of Cryptosporidium in clinical and environmental samples by REF have important implications for identifying sources of infection, modes of transmission and/or possible infectivity to humans, thus assisting in the surveillance and control of cryptosporidiosis. Given its excellent mutation detection capacity, REF should find broad applicability to various single‐copy genes as well as a wide range of other protozoan and metazoan parasites. (The nucleotide sequences reported in this article are available in the GenBank database under accession numbers GU214343–GU214371).     

Iterative Multireference Configuration Interaction

Iterative multireference configuration interaction (IMRCI) is proposed. It is exploited to compute the electronic energies of H\begin{document}$_2$\end{document}O and CH\begin{document}$_2$\end{document} (singlet and triplet states) at equilibrium and non-equilibrium geometries. The potential energy curves of H\begin{document}$_2$\end{document}O, CH\begin{document}$_2$\end{document} (singlet and triplet states) and N\begin{document}$_2$\end{document} have also been calculated with IMRCI as well as the M?ller Plesset perturbation theory (MP2, MP3, and MP4), the coupled cluster method with single and double substitutions (CCSD), and CCSD with perturbative triples correction (CCSD(T)). These calculations demonstrate that IMRCI results are independent of the initial guess of configuration functions in the reference space and converge quickly to the results of the full configuration interaction. The IMRCI errors relative to the full configuration interaction results are at the order of magnitude of 10\begin{document}$^{-5}$\end{document} hartree within just 2-4 iterations. Further, IMRCI provides an efficient way to find on the potential energy surface the leading electron configurations which, as correct reference states, will be very helpful for the single-reference and multireference theoretical models to obtain accurate results.     

聚醚醚酮链结构与反应的模型化合物的量子化学研究

利用ＡＭ１方法对聚醚醚酮模型化合物全优化，结果为：芳环平均相互扭转角为３３．０度，桥键角１１７．０－１１８．０度，其分子结构拓扑图形表明：所有苯环（核）为平面构型，但其内角扭曲；其氢原子对苯环构型无实质性贡献，在更长链的计算中，冻结苯核与氢原子也得出满意结果，根据Ｍｕｌｌｉｋｅｎ键序与电荷讨论了醚交换与磺化反应。     

Synergistic Metal-Nonmetal Active Sites in a Metal-Organic Cage for Efficient Photocatalytic Synthesis of Hydrogen Peroxide in Pure Water

Photocatalytic synthesis of hydrogen peroxide (H₂O₂) is a potential clean method, but the long distance between the oxidation and reduction sites in photocatalysts hinders the rapid transfer of photogenerated charges, limiting the improvement of its performance. Here, a metal-organic cage photocatalyst, Co₁₄(L−CH₃)₂₄ , is constructed by directly coordinating metal sites (Co sites) used for the O₂ reduction reaction (ORR) with non-metallic sites (imidazole sites of ligands) used for the H₂O oxidation reaction (WOR), which shortens the transport path of photogenerated electrons and holes, and improves the transport efficiency of charges and activity of the photocatalyst. Therefore, it can be used as an efficient photocatalyst with a rate of as high as 146.6 μmol g⁻¹ h⁻¹ for H₂O₂ production under O₂-saturated pure water without sacrificial agents. Significantly, the combination of photocatalytic experiments and theoretical calculations proves that the functionalized modification of ligands is more conducive to adsorbing key intermediates (*OH for WOR and *HOOH for ORR), resulting in better performance. This work proposed a new catalytic strategy for the first time; i.e., to build a synergistic metal-nonmetal active site in the crystalline catalyst and use the host–guest chemistry inherent in the metal-organic cage (MOC)to increase the contact between the substrate and the catalytically active site, and finally achieve efficient photocatalytic H₂O₂ synthesis.     

一种新型高效液相色谱二极管阵列检测器

研制了一种全封闭光学系统的高效液相色谱二极管阵列检测器。这种全封闭结构可以同时提高灵敏度、光谱分辨率和线性范围 ,对萘的最小检测量在2 30 nm下可达 1× 1 0 -10 g,且线性范围比为 5× 1 0 4。该检测器所采集的连续波长吸光度数据可以形成形象直观的三维谱图 ,以几种芳香类化合物为研究对象 ,验证了该系统的各项性能。