The Suzuki-Miyaura reaction is one of the most popular and efficient routes for the formation of carbon-carbon bonds in both laboratorial and industrial synthetic processes. Here, we report for the first time that a Au-Pd/TiO catalyst could be utilized efficiently for Suzuki-Miyaura reactions at ambient conditions under visible light with high activity and reusability. Mechanistic investigation by means of experimental methods revealed that through the strong local surface plasma resonance of Au under the visible light, the hot electrons of Au could be injected into Pd in the bimetallic nanoparticles, thus facilitating activation of the aryl halides. Meanwhile, the electropositive Au tended to gain electrons from TiO, resulting in the separation of the photogenerated electron/hole pairs of TiO, which enabled the holes to activate aryl boronic acids. This Au-Pd/TiO catalyst not only expands the application scope of Suzuki-Miyaura reactions under mild conditions but will also inspire further exploitation of the direct harvesting of visible light by nanomaterials for a wide range of chemical reactions.

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We describe measurements of thermodynamic temperature in the range 5 K to 24.5561 K (the triple point of neon) using single-pressure refractive-index gas thermometry (SPRIGT) with 4He. In the wake of the May 2019 re-definition of the kelvin and its associated mise en pratique, the main purpose of the work is to provide values of T–T 90, the discrepancy between thermodynamic temperature and that of the International Temperature Scale of 1990 (ITS-90). The link to ITS-90 is made via calibrated rhodium-iron resistance thermometers. Innovations required to reach the level of accuracy required for meaningful measurements (uncertainty in T–T 90 less than the expected deviation) include the suppression of temperature oscillations in a cryogen-free cryostat, a pressure stabilization scheme based on a non-rotating piston balance, modelling of the hydrostatic head correction and refinements of the measurement of microwave resonances in a quasi-spherical copper resonator. The accuracy of measurements varies from 0.05 mK to 0.17 mK and is competitive with that of all previous ones in this temperature range using other techniques. The improvement stems partly from the new techniques used for the new definition of the kelvin as well as ab initio calculations of the thermophysical properties ofgaseous 4He. In addition to confirming the validity of SPRIGT as an accurate, easier-to-implement alternative to other low-temperature primary thermometry techniques (e.g. acoustic gas thermometry) yet with scope for improvement, the results should provide important input data for any future revision of ITS-90.

Four cyclodextrins (CD) including β-cyclodextrin (β-CD), γ-cyclodextrin (γ-CD), heptakis-O-(2-hydroxypropyl)-β-cyclodextrin (HP-β-CD), and heptakis-O-(2, 6-di-O-methyl)-β-cyclodextrin (DM-β-CD) were used as solubilizer to study the solubility enhancement of myricetin. The results of the phase solubility study showed that the presence of CDs could enhance the solubility of myricetin by forming 1:1 complexes. Among all CDs, HP-β-CD had the highest solubilization effect to myricetin. The concentration of myricetin could be 1.60 × 10−4 moL/L when the presence of HP-β-CD reached 1.00 × 10−2 moL/L, which was 31.45 times higher than myricetin’s aqueous solubility. Subsequently, the HP-β-CD:myricetin complex was characterized by Fourier transform infrared spectroscopy (FT-IR), X-ray diffraction (XRD), and thermogravimetric analysis (TGA). In order to get an insight of the plausible structure of the complex, molecular docking was used to study the complexation process of HP-β-CD and myricetin. In the complex, the A ring and C ring of myricetin were complexed into the hydrophobic cavity of HP-β-CD, while the ring B was located at the wide rim of HP-β-CD. Four hydrogen bonding interactions were found between HP-β-CD and -OH groups of the guest in the HP-β-CD: myricetin complex. The complexation energy (△E) for the host-guest interactions was calculated with a negative sign, indicating the formation of the complex was an exergonic process. A 30-ns molecular dynamics simulation was conducted to the HP-β-CD: myricetin complex. Calculation results showed that no large structural deformation or position change were observed during the whole simulation time span. The average root-mean-square deviation (RMSD) changes of the host and guest were 2.444 and 1.145 Å, respectively, indicating the complex had excellent stability.

The simulation of a natural gas pipeline network allows us to predict the behavior of a gas network system under different conditions. Such predictions can be effectively used to guide decisions regarding the design and operation of the real system. The simulation is generally associated with a high computational cost since the pipeline network is becoming more and more complex, as well as large-scale. In our previous study, the Decoupled Implicit Method for Efficient Network Simulation (DIMENS) method was proposed based on the ‘Divide-and-Conquer Approach’ ideal, and its computational speed was obviously high. However, only continuity/momentum Equations of the simple pipeline network composed of pipelines were studied in our previous work. In this paper, the DIMENS method is extended to the continuity/momentum and energy Equations coupled with the complex pipeline network, which includes pipelines and non-pipeline components. The extended DIMENS method can be used to solve more complex engineering problems than before. To extend the DIMENS method, two key issues are addressed in this paper. One is that the non-pipeline components are appropriately solved as the multi-component interconnection nodes; the other is that the procedures of solving the energy Equation are designed based on the gas flow direction in the pipeline. To validate the accuracy and efficiency of the present method, an example of a complex pipeline network is provided. From the result, it can be concluded that the accuracy of the proposed method is equivalent to that of the Stoner Pipeline Simulator (SPS), which includes commercially available simulation core codes, while the efficiency of the present method is over two times higher than that of the SPS.

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