External electric field control in the charge qubits including three Josephson junctions

Based on the standard canonical quantization principle, this paper gives the quantization scheme for the charge qubits mesoscopic circuit including three Josephson junctions coupled capacitively. By virtue of the Heisenberg equation, the time evolution of the phase difference operators across the polar plates and the number operators of the Cooper-pairs on the island are investigated and the modification of the Josephson equation is discussed. The time evolution of the phase difference operators is analysed when the Josephson junctions are irradiated by the external electrical field, which is referred to as also the obtainable controlling parameter.     

一种基于广义Duffing振子的水中弱目标检测方法

海洋环境中,在水下目标的线谱频率未知或者目标辐射噪声的连续谱很弱时,很难实现水中弱目标的准确检测,本文提出基于广义Duffing振子检测系统的水下目标辐射噪声检测方法.通过对传统周期扰动的Duffing振子信号检测系统的分析和推广,提出了一种可输入非周期、非平稳信号的广义Duffing振子检测系统,可检测输入的无先验信息目标信号.为实现广义Duffing振子系统运动状态的精确、有效判断,提出了一种相空间图形的离散分布列计算方法,通过类网格函数实现了利用统计复杂度对系统输出的嵌入式表征,从而实现了无先验信息时的水中弱目标的嵌入式检测.相同条件下与传统检测方法仿真对比可知,本文提出的方法可以检测到更低信噪比下的目标,并能满足水中检测实时性要求.     

InP/InGaAsP多量子阱自发辐射谱的解析函数

利用洛伦兹线型函数、高斯线型函数和Sech线型函数对InP/InGaAsP多量子阱自发辐射谱进行拟合,采用莱文贝格-马夸特算法,得到上述三种函数的解析表达式.研究结果表明:高斯线型光谱拟合函数的中心波长为1548.651nm,谱线半极大全宽度为61.42 nm,功率补偿为0.00212 mW,拟合优度为0.99191,残差平方和为2.26505×10~(-6).高斯线型拟合的拟合优度最大,残差平方和最小,且各数据点的残差值分布在±0.0001之间,分布比较均匀.高斯线型函数具有较高拟合度.     

冲击加载下铝中氦泡和孔洞的塑性变形特征研究

通过分子动力学模拟研究了在相同冲击加载强度下单晶铝中氦泡和孔洞的塑性变形特征,结果发现氦泡和孔洞的塌缩是由发射剪切型位错环引起的,而没有观测到棱锥型位错环发射. 氦泡和孔洞周围的位错优先成核位置基本一致,但是氦泡周围发射的位错环数目比孔洞多,位错环发射速度明显比孔洞快. 且氦泡和孔洞被冲击波先扫过部分比后扫过部分发射位错困难. 通过滑移面上的分解应力分析发现,氦泡和孔洞周围塑性特征的差别是由于氦泡内压引起最大分解应力分布改变造成的. 氦泡和孔洞被冲击波先后扫过部分塑性不对称是因为冲击波扫过时引起形状变化, 关键词： 分子动力学 冲击波 氦泡 孔洞     

Ab initio investigation of possible lower-energy candidate structure for cationic water cluster (H2O) 12+ via particle swarm optimization method

Detecting the underlying performance of hydrated electrons and hydroxyl radicals in the cationic water cluster can greatly help to understand the inter reaction mechanism in the liquid water and aqueous solutions. Based on our previous (H₂O)₁₀⁺ research, we have paid attention to more problems of larger cationic clusters in this work, including the existence of hemibonded type, long-range correction functions, and hydrogen-bonded site analyses. The lower-energy structures of the cationic water cluster (H₂O)₁₂⁺ have been comprehensively explored, and more experienced functions are introduced to check the ground state and vibration spectrum. Unlike the configuration regularity of neutral (H₂O)₁₂ clusters and small cationic water clusters, those new-found structures for (H₂O)₁₂⁺ are inclined to adopt three dimension (3D) cage-like structures and the H₂O-OH₂ structure appears in the higher energy isomer. The calculation reveals that the lowest stable isomer is the 3D cage structure W14 predicted at MP2 level, which has not been reported yet. In the thermal simulation, structure transition from the cage-like to the ring-like occurs at T?>?≈256 K, and the two dimension (2D) ring-like structure occupies a dominant position at high temperature range. The infrared spectra explain that the difference of the spectra between the 2D net structures and 3D cage-structures is mainly caused by the weight fluctuation of single acceptor-single donor (AD), double acceptor-single donor (AAD), and single acceptor-double donor (ADD) sites in these isomers. This further gives a similarity relation between (H₂O)₁₂⁺ and H⁺(H₂O)₁₂ clusters in the shape of the network and spectral characteristics. By molecular orbitals and topological analysis, we find that the lone pair orbital on hydroxyl radical dominates the reactivity and stability of cationic system. The present research may be helpful for exploring the evolution law of the larger cationic water clusters in the future.

     

Hantzsch Ester as a Visible-Light Photoredox Catalyst for Transition-Metal-Free Coupling of Arylhalides and Arylsulfinates

Diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (HEH) has been utilized as a visible-light photoredox catalyst for the cross coupling of arylhalides and arylsulfinates without transition metal, sacrificial agent, and mediator. This method is compatible with various functional groups and provides diaryl sulfones in good to high yields. Mechanistic studies indicate that this reaction undergoes the stepwise light irradiation of HE⁻, single electron transfer (SET) in donor–acceptor complex (DAC) from *HE⁻ to arylhalide, trapping of aryl radical with sulfinate, and SET oxidation of sulfone radical anion by HE^. to sulfone by the DAC method.     

联苯菊酯酶联免疫吸附分析方法研究

建立了定量测定联苯菊酯的间接竞争酶联免疫吸附分析方法(ic-ELISA)。利用联苯菊酯的代谢物联苯醇合成了联苯菊酯的半抗原LBc(2-甲基-3-苯基苄基氧基羰基丙酸)和LBy(2-甲基-3-苯基苯甲酸)。通过碳二亚胺法将LBc交联于牛血清蛋白(BSA)作为免疫抗原(LBc-BSA),通过活泼酯法将LBc和LBy分别交联于卵清蛋白(OVA)作为包被抗原(LBc-OVA和LBy-OVA),LBc-BSA为免疫原制备了联苯菊酯的兔抗血清,间接非竞争酶联免疫吸附分析方法测得其效价达5.12×104。通过同源异源分析,发现异源分析的灵敏度较高,对pH值、离子强度、甲醇含量等影响因素进行了研究,0.3mol/L钠离子强度的磷酸缓冲液(pH7.5)和30%的甲醇确定为联苯菊酯间接竞争酶联免疫吸附分析方法的最佳工作条件,该方法的IC50为2.16±0.32mg/L,检出限(LDL)为0.016±0.002mg/L。对大部分拟除虫菊酯,如三氟氯氰菊酯、溴氰菊酯、氯氰菊酯、氰戊菊酯、甲氰菊酯和拟除虫菊酯的代谢物3-苯氧基苯甲酸没有明显的交叉反应。     

直链小碳簇Cn(n=3～6)微正则解离速率常数的RRKM理论计算(Ⅰ)

用从头计算法研究小碳簇的解离通道及其动力学.以MP2/6-31G^*精度优化直链C₃,C₄,C₅,C₆及其过渡态的结构,并对它们进行振动分析.在此基础上计算了各解离通道的能垒,并根据RRKM理论估算各个通道的微正则解离速率.计算结果表明,这些小碳簇的解离主要表现为均裂方式.     

分子实验室探针在生化分析中的应用研究进展

分子实验室探针（lab-on-a-molecule probe）是基于分子级别的检测,能够提供空间高密度的感应信号,其主要分为分子逻辑门、分子多模式检测以及兼具2者功能的探针,该探针在多分析物的定性以及竞争分析的定量灵敏检测中发挥了重要的作用。对上述3类探针在生化分析（金属阳离子、无机阴离子、氨基酸、蛋白质、致病菌等）中的应用进行了总结。     

Protein Detection Through Single Molecule Nanopore

A single nanopore represents a versatile single-molecule probe that can be employed to reveal several important features of proteins, such as physical structure, backbone flexibility, mechanical stability, their folding state, binding affinity to other interacting ligands and enzymatic activity. In this review, we summarize the development and current research related to the field of protein detection by nanopore, as well as a few examples of the pioneer work on protein detection. We first discuss the principle of electrical detection with nanopores and how this technique provides information from current traces. Then the development from peptide detection with biological nanopore to protein detection through solid-state nanopore is described. Finally, we prospect the measurement of protein shape and construction using nanopore technology for the applications in life research area.