Thorium and its compounds have been widely investigated as important nuclear materials. Previous research focused on the potential use of thorium hydrides, such as ThH2, ThH4, and Th4H15, as nuclear fuels. Here, we report studies of the anion, ThH5−, by anion photoelectron spectroscopy and computations. The resulting experimental and theoretical vertical detachment energies (VDE) for ThH5− are 4.09 eV and 4.11 eV, respectively. These values and the agreement between theory and experiment facilitated the characterization of the structure of the ThH5− anion and showed its neutral counterpart, ThH5 to be a superhalogen. ThH5−, which exhibits a C4v structure with five Th−H single bonds, possesses the largest known H/M ratio among the actinide elements, M. The adaptive natural density partitioning (AdNDP) method was used to further analyze the chemical bonding of ThH5− and to confirm the existence of five Th−H single bonds in the ThH5− molecular anion. 相似文献
Science China Chemistry - Extracting photogenerated species from bulk to surface is an essential process for gaining efficient semiconductor-based photocatalysis. However, compared with charged... 相似文献
A combinatorial nickel-catalyzed monofluoroalkylation of aryl bromides with the industrial raw regent ethyl chlorofluoroacetate has been developed. The two key factors to successful conversion are the combination of nickel with readily available nitrogen and phosphine ligands and the using of a mixture of different solvents. Mechanistic investigations indicated a new zinc regent might generated in situ and be involved in the reaction process. 相似文献
The allergic reaction (AR) of Chinese herbal injection (CHI) has become one of the most noticeable focuses of public health in China. However, it still remains a considerable controversy as to whether low-molecular-weight components in CHI have potential sensitization. In this study, the relationship between AR and low-molecular-weight component profile of Shenmai injection was explored by an interdisciplinary technology integrating real-world evidence and ultra-performance liquid chromatography–quadrupole time-of-flight mass spectroscopy (UPLC–Q-TOF-MS). The AR information of hospitalized patients was obtained by comprehensively analyzing real-world evidence from January 2015 to June 2019 at two Chinese hospitals. The UPLC–Q-TOF-MS was exploited to systematically investigate the low-molecular-weight component profile with 50–1500 m/z mass range, and 3725 MS1 peaks were detected. The optimized partial least squares discriminant analysis model was established to map the influence of low-molecular-weight components on AR. The results of this study showed that high levels of organic acids administered intravenously might be a potential risk factor for inducing AR. By using this method, Shenmai injection with high AR risk could be recognized precisely with 100% accuracy before clinical use. 相似文献
Aharoni and Howard and, independently, Huang et al. (2012) proposed the following rainbow version of the Erdős matching conjecture: For positive integers n, k and m with n ⩾ km, if each of the families \(F_{1},\ldots,F_{m}\subseteq\left(\begin{array}{c}[n]\\ k\end{array}\right)\) has size more than \(\max\{\left(\begin{array}{c}n\\ k\end{array}\right)-\left(\begin{array}{c}n-m+1\\ k\end{array}\right),\left(\begin{array}{c}km-1\\ k\end{array}\right)\}\), then there exist pairwise disjoint subsets e1,…,em such that ei ∈ Fi for all i ∈ [m]. We prove that there exists an absolute constant n0 such that this rainbow version holds for k = 3 and n ⩾ n0. We convert this rainbow matching problem to a matching problem on a special hypergraph H. We then combine several existing techniques on matchings in uniform hypergraphs: Find an absorbing matching M in H; use a randomization process of Alon et al. (2012) to find an almost regular subgraph of H − V(M); find an almost perfect matching in H − V(M). To complete the process, we also need to prove a new result on matchings in 3-uniform hypergraphs, which can be viewed as a stability version of a result of Łuczak and Mieczkowska (2014) and might be of independent interest.
The transesterification of phosphatidylcholine with methanol was successfully carried out using a promising solvent methyl tert‐butyl ether instead of traditional ether, and the reaction was dramatically enhanced in the presence of tetrabutylammonium hydroxide as the phase‐transfer catalyst. Kinetics of the reaction including the effects of the reaction conditions on the conversion of phosphatidylcholine and the apparent rate constant (kapp) were investigated in detail. On the basis of the experimental evidence, the transesterification mechanism was proposed and a kinetic model was developed, and the experimental data were well described by the pseudo–first‐order equation. 相似文献