Decay estimates for a class of wave equations

In this paper we use a unified way studying the decay estimate for a class of dispersive semigroup given by , where is smooth away from the origin. Especially, the decay estimates for the solutions of the Klein-Gordon equation and the beam equation are simplified and slightly improved.     

Skeletal modifications of $$\upbeta $$-carboline alkaloids and their antiviral activity profile

To study the effect of the variation of fused ring size and substitution on the antiviral activity of \(\upbeta \)-carboline alkaloids, four types of structurally novel \(\upbeta \)-carboline alkaloids analogues, with indole-fused six- to nine-membered-rings motifs, were designed, synthesized, and evaluated for the inhibition of tobacco mosaic virus (TMV). Bioassay results indicated that most of these analogues had significant anti-TMV activity; especially I-14 (54 \(\pm \) 3 % at 500 \(\upmu \)g/mL in vitro; 51 \(\pm \) 2, 45 \(\pm \) 2, and 42 \(\pm \) 1 % at 500 \(\upmu \)g/mL in vivo), II-4 (53 \(\pm \) 1 % at 500 \(\upmu \)g/mL in vitro; 49 \(\pm \) 2, 57 \(\pm \) 2, and 48 \(\pm \) 1 % at 500 \(\upmu \)g/mL in vivo), and II-8 (48 \(\pm \) 1 % at 500 \(\upmu \)g/mL in vitro; 53 \(\pm \) 2 %, 56 \(\pm \) 2 %, and 46 \(\pm \) 1 % at 500 \(\upmu \)g/mL in vivo), which were more potent vs. TMV than was ribavirin (36 \(\pm \) 1 % at 500 \(\upmu \)g/mL in vitro; 37 \(\pm \) 2, 41 \(\pm \) 2, and 38 \(\pm \) 1 % at 500 \(\upmu \)g/mL in vivo). The size of the fused ring has important effects on anti-TMV potency, which may be ascribed to conformational differences. The X-ray structures of I-1, I-6, II-8, and III show differing conformational preferences. The most potent compounds can be used as leads for further optimization as antiphytoviral agents.     

梯型BiVO4/Ag3VO4光催化剂的构建及其可见光光催化性能

近年来,有机污染物的问题变得越来越严重.为了解决该问题,人们研究和开发了许多有效的光催化剂.本工作采用水热法和化学沉积法合成了BiVO4/Ag3VO4梯型半导体材料,该复合材料在可见光下具有很强的氧化还原能力.其中40%BiVO4/Ag3VO4具有最佳的光催化降解性能,其降解速率为0.05588 min^-1,分别是BiVO4和Ag3VO4的22.76和1.76倍.并且其性能稳定,经过四次循环后其降解率仍可保持90%以上.BiVO4和Ag3VO4复合后,其催化性能得到增强,归因于形成了新型的梯型光催化机制,该方法促进了光生电荷的分离并延长了电荷的寿命,且通过PL测试和瞬态光电流响应证明了电荷的有效转移.X射线衍射(XRD)可以观察到Ag3VO4和BiVO4物相,没有其他成分.用扫描电子显微镜(SEM)和透射电子显微镜(TEM)进一步观察了该催化剂的结构和形貌,从SEM可以看出,Ag3VO4生长在BiVO4的上面,能谱分析也证明该催化剂仅包含Ag3VO4和BiVO4的各种元素,而不含其他杂质,TEM进一步证明了两种物质复合在一起,而不是机械混合.通过紫外-可见光漫反射光谱(UV-vis)测试可以得到BiVO4和Ag3VO4的吸收带边,进一步计算BiVO4的带隙和导带分别为2.41和0.455 eV,Ag3VO4的带隙和导带分别为2.20和0.04 eV,二者组成的异质结的带隙满足降解的条件.用荧光光谱(PL)和光电流研究了样品的光电特征,结果表明BiVO4/Ag3VO4光催化剂具有很高的载流子分离效率和很低的光电流电阻,这有助于光生载流子的运输.光催化降解甲基蓝实验表明,BiVO4/Ag3VO4具有很强的光催化降解速率(0.05588 min^-1),是BiVO4的22.6倍,Ag3VO4的1.76倍,而且经过四次循环后仍能保持很高的活性.通过XRD发现使用后的催化剂并没有发生变化,说明该催化剂具有良好的稳定性.高分辨X射线光电子能谱(XPS)不仅进一步说明了该催化剂成功复合后没有其他杂质元素,而且从各元素的结合能变化可以看出构成异质结后电子的流向,证实了光催化机制为梯型机制.光照射后,BiVO4和Ag3VO4产生电子空穴对,当催化剂受光激发后,电子从价带被激发到导带,并在价带留下空穴.当BiVO4和Ag3VO4复合后,在接触界面形成内电场,由于库仑相互作用,能带边缘弯曲等作用加速了Ag3VO4价带上某些空穴和BiVO4导带上电子的复合,从而阻止了Ag3VO4和BiVO4内部电子空穴对的复合,这有助于Ag3VO4导带上的电子和BiVO4价带上的空穴参与氧化还原反应.从捕获实验可以看出,本实验中空穴在光催化降解中起着最重要的作用,这与上述结论一致.     

Synthesis and Biological Activity of Novel Furan/Thiophene and Piperazine‐Containing (Bis)1,2,4‐triazole Mannich Bases

Series of novel furan/thiophene and piperazine‐containing 1,2,4‐triazole Mannich bases and bis(1,2,4‐triazole) Mannich bases have been conveniently synthesized via Mannich reaction with triazole Schiff bases, various piperazine derivatives, and formaldehyde as intermediates in good yields. Their structures were characterized by melting points, ¹H NMR, ¹³C NMR, IR and elemental analysis. The preliminary bioassay showed that most compounds exhibited significant in vitro and in vivo fungicidal activity against several test plant fungi. Among 32 new compounds, the trifluoromethyl‐containing compounds showed superior activity than the methyl‐containing ones. Several compounds, such as F8 , F9 , F10 , G5 , H7 , H8 , I3 and I4 , were comparable with some commercial fungicides against different fungi during the present study and could be further structurally optimized. Meanwhile, several compounds showed good herbicidal activity against Brassica campestris at 100 µg/mL and KARI inhibitory activity at 200 µg/mL. However, compounds exhibited poor insecticidal activity against oriental armyworm at 200 µg/mL in the preliminary studies. The research results will provide useful information for the design and discovery of new agrochemicals with novel heterocyclic structures.     

Piloted ignition and extinction for solid fuels

Piloted ignition of solid fuels is investigated by simulating the transport and chemical reaction in a counter-flow arrangement where a known fuel (methane) is supplied through a porous burner and the power and the location of the igniter are varied. The porous burner arrangement simulates a pyrolyzing solid fuel at constant temperature by separating the gas phase from the solid conduction and pyrolysis phenomena. An Arrhenius one-step global reaction and a simplified transport model with Lewis number equal to one were used in the simulation. Only quasi-steady conditions are considered for the gas phase in this work because the response time for the solid phenomena is, in general, much larger than the response diffusion time for the gaseous phenomena. The relation of piloted ignition to extinction is also investigated. The effect of Damköhler number on ignition and extinction and the effect of the igniter on ignition are presented through a characteristic S curve obtained by plotting the evolving maximum temperature as a function of fuel mass flux. Based on the S-shaped curve (representing the maximum temperature in the system versus the mass flux of fuel), the relationship between the piloted ignition and extinction turning points and mass fluxes has been demonstrated in this paper. The piloted ignition turning point gradually approaches the extinction turning point with increasing Damköhler number and also with increasing power of the igniter. The ignition mass flux is found to depend basically on three parameters, Damköhler number, the location of the igniter and the power of the igniter all expressed in dimensionless forms.     

Piloted ignition of solid fuels at low ambient pressure and varying igniter location

In order to investigate the effects of ambient pressure and igniter location on piloted ignition of solid fuels, the ignition mass flux of PMMA was experimentally determined for locations of the igniter between 6 and 70 mm above the solid surface, under two external heat fluxes of 21.2 and 25.4 kW/m². The experimental results show that the ignition mass flux decreases as the igniter approached the solid surface until it reached a minimum, and then the ignition mass flux remains nearly constant followed by a slight increase with a further decrease of the igniter location. In addition, in another series of experiments the ignition mass flux for elm wood decreases by a factor 0.6 at reduced pressure 0.67 (Tibet 0.67 atm) compared to the ignition mass flux at normal pressure (Hefei, 1.0 atm). The results of this work are explained well by a numerical piloted ignition model which also explains recent observations on the ignition mass flux at reduced pressures in a forced-flow ignition and flame spread apparatus.     

First Synthesis of a C‐Homosteroid from Pregn‐4‐ene‐3,11,20‐trione

(3α,5α)‐3‐Hydroxy‐C‐homopregnane‐11,20‐dione ( 3 ) was prepared in eleven steps from the commercially available pregn‐4‐ene‐3,11,20‐trione ( 4 ) via the 11‐oxo‐13‐formyl‐12,13‐secopregnane intermediate 11 (Scheme 2). Subjection of this secopregnane to an intramolecular aldol condensation afforded the α,β‐unsaturated key intermediate C‐homopregn‐12‐en‐11‐one 12 .     

Four superhard carbon allotropes: a first-principles study

Using a generalized genetic algorithm, we propose four new sp(3) carbon allotropes with 5-6-7 (5-6-7-type Z-ACA and Z-CACB) or 4-6-8 (4-6-8-type Z4-A(3)B(1) and A4-A(2)B(2)) carbon rings. Their stability, mechanical and electronic properties are systematically studied using a first-principles method. We find that the four new carbon allotropes show amazing stability in comparison with the carbon phases proposed recently. Both 5-6-7-type Z-ACA and Z-CACB are direct band-gap semiconductors with band gaps of 2.261 eV and 4.196 eV, respectively. However, the 4-6-8-type Z4-A(3)B(1) and A4-A(2)B(2) are indirect band-gap semiconductors with band gaps of 3.105 eV and 3.271 eV, respectively. Their mechanical properties reveal that all the four carbon allotropes proposed in present work are superhard materials, which are comparable to diamond.     

The effect of individual tendency on crowd evacuation efficiency under inhomogeneous exit attraction using a static field modified FFCA model

As an extension of the Asymmetric Simple Exclusion Process, the floor field cellular automata model has its specific advantages in reproducing crowd self-organized phenomena, embodying individual characteristics and reducing the computing complexity by translating the long-ranged interaction to local interaction. Evacuation from a room is an important part in the study of building evacuation. In our experiment and real life observation we found the exit attraction non-uniformity. To obtain the effect of individual tendency to the exit attraction center on the crowd evacuation efficiency, the static field is modified. Compared with the control group, the exit attraction non-uniformity has a disadvantage in the crowd evacuation efficiency. The position deviation between the exit geometric center and the exit attraction center delays the crowd evacuation by generating a local merging flow. In addition, the individual tendency also increases the crowd evacuation time by increasing the static field gradient to the attraction center, leading to a low usage efficiency of exits. Compared with the influence of other factors, the inhomogeneous exit attraction has an obvious effect on the crowd evacuation efficiency.