Boundaries of Disk-Like Self-affine Tiles

Let $T:= T(A, \mathcal{D })$ T : = T ( A , D ) be a disk-like self-affine tile generated by an integral expanding matrix $A$ A and a consecutive collinear digit set $\mathcal{D }$ D , and let $f(x)=x^{2}+px+q$ f ( x ) = x 2 + px + q be the characteristic polynomial of $A$ A . In the paper, we identify the boundary $\partial T$ ? T with a sofic system by constructing a neighbor graph and derive equivalent conditions for the pair $(A,\mathcal{D })$ ( A , D ) to be a number system. Moreover, by using the graph-directed construction and a device of pseudo-norm $\omega $ ω , we find the generalized Hausdorff dimension $\dim _H^{\omega } (\partial T)=2\log \rho (M)/\log |q|$ dim H ω ( ? T ) = 2 log ρ ( M ) / log | q | where $\rho (M)$ ρ ( M ) is the spectral radius of certain contact matrix $M$ M . Especially, when $A$ A is a similarity, we obtain the standard Hausdorff dimension $\dim _H (\partial T)=2\log \rho /\log |q|$ dim H ( ? T ) = 2 log ρ / log | q | where $\rho $ ρ is the largest positive zero of the cubic polynomial $x^{3}-(|p|-1)x^{2}-(|q|-|p|)x-|q|$ x 3 ? ( | p | ? 1 ) x 2 ? ( | q | ? | p | ) x ? | q | , which is simpler than the known result.     

Negative curvature dependent plasmonic coupling and local field enhancement of crescent silver nanostructure

In this contribution, novel luminescent gold nanoclusters were synthesized by utilizing bovine serum albumin as templates with a simple, rapid, and one-pot procedure. The as-prepared gold nanoclusters were highly dispersed in aqueous solution and emitted an intense red fluorescence under UV light (365?nm). They exhibited strong fluorescence and the maximum excitation and emission wavelengths were 480 and 613.5?nm. In addition, the bovine serum albumin-stabilized gold nanoclusters were successfully utilized as novel fluorescent probes for the detection of quercetin for the first time. It was found that the addition of quercetin induced the strong fluorescence intensity of the gold nanoclusters to decrease. The decrease in fluorescence intensity of the gold nanoclusters caused by quercetin allowed the sensitive detection of quercetin in the range of 8.9?×?10^?8?C1.8?×?10^?4?mol?L^?1. The detection limit for quercetin is 1.8?×?10^?8?mol?L^?1 at a signal-to-noise ratio of 3. The present sensor for quercetin detection possessed a low detection limit and wide linear range. In addition, the real samples were analyzed with satisfactory results.     

Rate and thermal sensitivities of unstable transformation behavior in a shape memory alloy

A special plasticity-based constitutive model with an up–down–up flow rule used within a finite element framework has previously been shown to simulate the inhomogeneous nature and the thermo-mechanical coupling of stress-induced transformation seen in a NiTi shape memory alloy. This paper continues this numerical study by investigating the trends of localized nucleation and propagation phenomena for a wider range of loading rates and ambient thermal conditions. Local self-heating (due to latent heat of transformation), the inherent Clausius–Clapeyron relation (sensitivity of the material's transformation stress with temperature), the size of the specimen's nucleation barriers, the loading rate, and the nature of the ambient environment all interact to create a variety of mechanical responses and transformation kinetics. The number of transformation fronts is shown to increase dramatically from a few fronts under nearly isothermal conditions to numerous fronts under nearly adiabatic conditions. A non-dimensional film coefficient and non-dimensional conductivity are identified to be the major players in the range of responses observed. It is shown that the non-dimensional film coefficient generally determines the overall temperature response, and therefore force–displacement response, of a transforming specimen; whereas, the non-dimensional conductivity is the more important player in determining the number of nucleations, and therefore the number of transformation fronts, that may occur.     

应用光谱和分子模拟法研究一种聚酰亚胺聚合物与人免疫球蛋白的相互作用

本文利用荧光猝灭法、红外光谱法及计算机模拟技术研究了一种聚酰亚胺聚合物(2,6-Bis(4-amino-2-trifluoromethyl phenoxy-4’- benzoyl)-pyridine,简称BAFP )与人免疫球蛋白（HIgG）的相互作用。同步荧光的结果定性地说明了BAFP影响水溶液中HIgG二级结构的情况。而判定BAFP影响HIgG二级结构的定量依据来自红外光谱,实验数据表明α螺旋结构的含量相比未加入药物时增加了约2.6～10.2%,,β折叠增大了约13.6～27.7%,,而β转角则减小了约23.8～30.3%。分子模拟的结果显示BAFP与HIgG的键合作用很强,并且有四个氢键在BAFP与HIgG分子的色氨酸Trp 170, 缬氨酸Val 105, 甲硫氨酸Met 139 及天冬酰胺Asn 52之间形成;同时也显示出维持药物与蛋白质的相互作用力主要是疏水作用,这与实验所得到的热力学参数判定作用力的结果相一致（依据范德霍夫公式计算得 与 的值分别为-6.70KJ.mol-1 和 71.93 J.mol-1.K-1）。     

Approximation BFGS methods for nonlinear image restoration

We consider the iterative solution of unconstrained minimization problems arising from nonlinear image restoration. Our approach is based on a novel generalized BFGS method for such large-scale image restoration minimization problems. The complexity per step of the method is of O(nlogn)$O(nlogn)$ operations and only O(n)$O\left(n\right)$ memory allocations are required, where n$n$ is the number of image pixels. Based on the results given in [Carmine Di Fiore, Stefano Fanelli, Filomena Lepore, Paolo Zellini, Matrix algebras in quasi-Newton methods for unconstrained minimization, Numer. Math. 94 (2003) 479–500], we show that the method is globally convergent for our nonlinear image restoration problems. Experimental results are presented to illustrate the effectiveness of the proposed method.     

2,4-二羟基苯乙酮缩异烟酰腙的实验和DFT理论研究:合成、晶体结构和性质及量化计算

合成了一种酰腙类Schiff碱2,4-二羟基苯乙酮缩异烟酰腙(C₁₄H₁₃N₃O₃,H₂L),经元素分析、红外光谱、紫外光谱、荧光光谱和热重分析等技术手段进行了表征。 用X射线单晶衍射测定了它的晶体结构,该晶体属单斜晶系,C2/c空间群,晶胞参数a=2.0102(2) nm,b=0.75891(8) nm,c=1.9530(2) nm,α= 90°,β=111.481(12)°,γ=90°,V=2.7725(5) nm³,Z=4,D_c=1.4292 g/cm³,R₁=0.0422,wR₂=0.1113,F(000)=1256。 同时进行了量子化学计算研究。 使用Gaussian09量子化学程序包, 在密度泛函理论(DFT)的B3LYP/6-31G(d)水平,对化合物的分子结构进行全参数优化计算,获得了热力学参数和几何结构参数,对分子的总能量及前线分子轨道、Mulliken电荷分布进行了分析讨论;同时,用TD-DEF方法计算了化合物的电子吸收光谱和荧光发射光谱。     

Converting industrial waste contact masses into effective multicomponent copper-based catalysts for the Rochow process

In this work, we report a simple and inexpensive approach to synthesize effective multicomponent Cu–Cu₂O–CuO catalysts for the Rochow process from industrial waste contact masses (WCMs). WCMs from the organosilane industry were treated with acid followed by reduction with metallic iron powder. The obtained copper powder was then subjected to controlled oxidation in air at different temperatures, followed by ball milling. The orthogonal array approach was applied to optimize this process, and the stirring speed and pH were found to significantly affect the leaching ratio and copper yield, respectively. When used for the Rochow process, the optimized ternary Cu–Cu₂O–CuO catalyst greatly enhanced the dimethyldichlorosilane selectivity and Si conversion compared with Cu–Cu₂O–CuO catalysts prepared without ball milling, bare Cu catalysts, and Cu–Cu₂O–CuO catalysts with different compositions. This could be attributed to their small particle size and the strong synergistic effect among the multiple components in the catalyst with the optimized composition.     

基于同轴TM812模谐振腔的毫米波多注速调管

 研究了群聚电子注穿越同轴TM₈₁₂模谐振腔的换能效率和同轴TM₈₁₂模谐振腔中微波能量的提取方法,论证了其作为毫米波多注速调管的输出腔的可行性。研究结果表明:理想群聚电子注穿越同轴TM₈₁₂模谐振腔的换能效率可达3.29%,一般群聚电子注穿越同轴TM₈₁₂模谐振腔的换能效率可达1.86%;采用同轴TM₈₁₂模谐振腔与沿轴向的同轴线耦合可以实现微波能量的提取;在输出腔工作频率为100.945 GHz,外观品质因数为2 243情形下,根据估算,最大输出功率可达15 kW。     

High resolution Si 2p gas phase photoelectron spectra of model silicon compounds: implications for hydrogen adsorbed on a silicon surface

High resolution Si 2p gas phase photoelectron spectroscopy has been used to measure the vibrational energy spacing in SiH₄ (0.295 eV) and SiD₄ (0.212 eV). These values are compared with those measured for the chemical shift (0.30 eV/hydrogen atom) of model compounds which mimic the effects of zero, one, two and three hydrogen atoms bonded to a silicon atom on a silicon surface. Implications for the interpretation of surface photoelectron spectra are discussed.