Time-Resolved Structural Kinetics of an Organic Mixed Ionic–Electronic Conductor

The structure and packing of organic mixed ionic–electronic conductors have an especially significant effect on transport properties. In operating devices, this structure is not fixed but is responsive to changes in electrochemical potential, ion intercalation, and solvent swelling. Toward this end, the steady-state and transient structure of the model organic mixed conductor, poly(3,4-ethylenedioxythiophene) polystyrene sulfonate (PEDOT:PSS), is characterized using multimodal time-resolved operando techniques. Steady-state operando X-ray scattering reveals a doping-induced lamellar expansion of 1.6 Å followed by 0.4 Å relaxation at high doping levels. Time-resolved operando X-ray scattering reveals asymmetric rates of lamellar structural change during doping and dedoping that do not directly depend on potential or charging transients. Time-resolved spectroscopy establishes a link between structural transients and the complex kinetics of electronic charge carrier subpopulations, in particular the polaron–bipolaron equilibrium. These findings provide insight into the factors limiting the response time of organic mixed-conductor-based devices, and present the first real-time observation of the structural changes during doping and dedoping of a conjugated polymer system via X-ray scattering.     

Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer

The RNA methylase METTL3 catalyzes the transfer of a methyl group from the cofactor S-adenosyl-L-methionine (SAM) to the N⁶ atom of adenine. We have screened a library of 4000 analogues and derivatives of the adenosine moiety of SAM by high-throughput docking into METTL3. Two series of adenine derivatives were identified in silico, and the binding mode of six of the predicted inhibitors was validated by protein crystallography. Two compounds, one for each series, show good ligand efficiency. We propose a route for their further development into potent and selective inhibitors of METTL3.     

Catalytic combustion of methane over a highly active and stable NiO/CeO2 catalyst

In the last decades, many reports dealing with technology for the catalytic combustion of methane (CH₄) have been published. Recently, attention has increasingly focused on the synthesis and catalytic activity of nickel oxides. In this paper, a NiO/CeO₂ catalyst with high catalytic performance in methane combustion was synthesized via a facile impregnation method, and its catalytic activity, stability, and water-resistance during CH₄ combustion were investigated. X-ray diffraction, low-temperature N₂ adsorption, thermogravimetric analysis, Fourier transform infrared spectroscopy, hydrogen temperature programmed reduction, methane temperature programmed surface reaction, Raman spectroscopy, electron paramagnetic resonance, and transmission electron microscope characterization of the catalyst were conducted to determine the origin of its high catalytic activity and stability in detail. The incorporation of NiO was found to enhance the concentration of oxygen vacancies, as well as the activity and amount of surface oxygen. As a result, the mobility of bulk oxygen in CeO₂ was increased. The presence of CeO₂ prevented the aggregation of NiO, enhanced reduction by NiO, and provided more oxygen species for the combustion of CH₄. The results of a kinetics study indicated that the reaction order was about 1.07 for CH₄ and about 0.10 for O₂ over the NiO/CeO₂ catalyst.     

废旧毛涤黏混纺面料脱色预处理工艺研究

以废旧毛涤黏混纺面料为研究对象,首先对面料进行清洁与消毒,然后对其组分进行定性、定量分析,最后通过单因素法优化,得出最佳的溶胀工艺为:m_(废旧面料)∶m_(DMSO)=1∶10,溶胀时间40 min,溶胀温度90℃。在该工艺下对织物进行溶胀处理,得到织物的质量损失率为3.06%,K/S值为16.906。     

铁素体/贝氏体双相钢循环载荷作用下变形行为的模拟研究

为了避免铁素体/贝氏体双相钢管线管在服役过程中的交变载荷作用下引起的塑性损伤，采用有限元模拟方法，建立了Chaboche随动强化模型，研究了铁素体/贝氏体双相钢在循环应变载荷作用下的变形行为。结果显示，在循环应变作用下，应变优先在铁素体中形成累积，并在铁素体、贝氏体界面集中；随应变幅的增大，应变带在铁素体中形成，而贝氏体内累积应变增加不大，两相界面应变差增大。研究表明，铁素体内应变和两相应变差的增加将降低双相钢的塑性变形能力。     

水平衡法与高温转化法在矿泉水氢氧稳定同位素测定中的应用

为了鉴别不同品牌矿泉水标注水源地信息真伪,对11种不同品牌饮用水的氢氧稳定同位素(δD和δ18 O)进行测定。结果表明,水平衡法(GasBench-IRMS)和高温转化法(TC/EA-IRMS)的测定结果一致性较好,两种方法测定6种不同饮用水的δD和δ18 O的平均差异分别为(0.6±1.59)‰和(0.02±0.13)‰。水平衡法需要较长的制备和测定时间,但δD和δ18 O的测定精度明显优于高温转化法。11种饮用水δD和δ18 O变化范围较大,其δD和δ18 O受不同品牌饮用水的水源地降水影响形成明显的地域性。虽然无法区分矿泉水是否由其他类别饮用水伪造,但δD和δ18 O可以为特定区域(如高海拔与沿海地区)以及产地相近的矿泉水水源地鉴别提供依据。     

第七届世界军人运动会核与辐射风险评估与控制

武汉市涉核单位众多,存在一定的核与辐射事故风险。通过对武汉市举办第七届世界军人运动会可能存在的核与辐射风险因素进行识别及评价,确定可能发生的12类核与辐射事故类型及风险水平,进而有针对性的制定风险防控措施,做到辐射应急管理关口前移,在保证军运会期间核技术利用单位正常生产活动的基础上有效的保障了核与辐射安全。     

Analysis and optimisation of particle mixing performance in fluid phase resonance mixers based on Euler/Lagrange calculations

A novel mixing principle utilising oscillating liquid columns was analysed numerically with regard to particle dispersion characteristics. For producing fluid oscillations a pipe (diameter 100 mm) was immersed centrally into a vessel (diameter 450 mm) filled with liquid (filling height 700 mm) and periodically pressurised (frequency 1.2 Hz). The outlet geometry of the central pipe, just ending near the vessel bottom, has a strong effect on mixing and was optimised in this study. The principle of a FPR-mixer does not require rotating stirrers and in the turbulent regime it has power numbers comparable to propellers. The numerical calculations were conducted by a Euler/Lagrange approach neglecting two-way coupling as well as inter-particle collisions for clarity in order to only focus on the effect of interfacial forces on particle dispersion. The continuous phase was calculated in an unsteady way based on the Reynolds-averaged equations combined with the k-ω-SST (shear stress transport) turbulence model. Lagrangian tracking was conducted considering all relevant forces; drag, gravity/buoyancy, fluid inertia, added mass, Basset force and transverse lift forces due to shear and particle rotation. The importance of these forces was analysed with respect to the turbulent particle Stokes number (considered range 0.004 < St < 10.0) and particle/liquid density ratio (i.e. 1.05, 1.5 and 2.5). Finally, the significance of Basset force and shear-rotation lift force (i.e. Magnus effect) on the dispersion process was quantified by mixing parameters.