Impact of the Acetaldehyde-Mediated Condensation on the Phenolic Composition and Antioxidant Activity of Vitis vinifera L. Cv. Merlot Wine

Acetaldehyde is a critical reactant on modifying the phenolic profile during red wine aging, suggesting that the acetaldehyde-mediated condensation can be responsible for the variation of antioxidant activity during the aging of this beverage. The present study employs exogenous acetaldehyde at six levels of treatment (7.86 ± 0.10–259.02 ± 4.95 mg/L) before the bottle aging of Merlot wines to encourage phenolic modification. Acetaldehyde and antioxidant activity of wine were evaluated at 0, 15, 30, 45, 60 and 75 days of storage, while monomeric and polymeric phenolics were analyzed at 0, 30 and 75 days of storage. The loss of acetaldehyde was fitted to a first-order reaction model, the rate constant (k) demonstrated that different chemical reaction happened in wines containing a different initial acetaldehyde. The disappearance of monomeric phenolics and the formation of polymeric phenolics induced by acetaldehyde could be divided into two phases, the antioxidant activity of wine did not alter significantly in the first phase, although most monomeric phenolics vanished, but the second phase would dramatically reduce the antioxidant activity of wine. Furthermore, a higher level of acetaldehyde could shorten the reaction time of the first phase. These results indicate that careful vinification handling aiming at controlling the acetaldehyde allows one to maintain prolonged biological activity during wine aging.     

全反射棱镜式激光陀螺自适应稳频技术

针对全反射棱镜式激光陀螺在稳频过程中相敏信号易受噪声干扰的现象,研究了全反射棱镜式激光陀螺自适应稳频技术。理论分析了全反射棱镜式激光陀螺的稳频特性,结合自适应噪声对消原理,建立了全反射棱镜式激光陀螺自适应稳频系统的数学模型。通过硬件电路设计,搭建了基于递归最小二乘算法的自适应稳频控制系统。分别对原有稳频技术与自适应稳频技术进行了实验测试,实验结果表明,自适应稳频能有效消除噪声对相敏信号的干扰,稳频精度提高了近一个数量级,陀螺精度相应提高了60%以上。此分析结果为提高全反射棱镜式激光陀螺的性能提供了重要参考。     

立方相Ag_3PO_4(111)面原子几何及弛豫结构的第一性原理计算

采用平面波超软赝势方法研究了立方相Ag_3PO_4(111)面的表面能和表面原子弛豫结构.首先对Ag_3PO_4(111)面的八种不同原子终止结构的体系总能量进行计算,结果表明B种表面模型被证实为最稳定的(111)面原子几何结构.针对该表面结构,探讨了表面能和原子弛豫与模型中原子层数和真空厚度的关系,当原子层数为24层,真空厚度为0.6 nm时,表面能收敛于1.41 J/m2(LDA-CAPZ)和1.39 J/m2(GGA-PBE).表面原子弛豫后,表面两个三配位的Ag原子均向里移动,超过0.06 nm,而表面次层的O原子则均向外移动约0.0042 nm,导致弛豫后暴露在最表面的是O原子,同时表面原子的核外电子向表面内部发生转移,结构趋于稳定.这些结果为进一步深入研究Ag_3PO_4表面的光催化活性起源提供理论支持.     

碳纳米锥吸附Na的第一性原理计算

本文采用第一性原理计算结合从头算分子动力学的方法,研究了碳纳米锥(CNC)、B和N掺杂碳纳米锥(B-CNC和N-CNC)的稳定性,结果表明CNC、B-CNC和N-CNC均可以稳定存在.在此基础上分别研究了Na原子在CNC、B-CNC和N-CNC上的吸附行为.结果表明：1) Na原子在CNC五元碳环中心顶部位置的吸附最强,吸附能为-2.52 eV. CNC的能隙(Eg)为1.96 eV. 2) B和N掺杂CNC后,B-CNC和N-CNC的导电性均显著增强. 3)与CNC相比,Na原子在B-CNC上的吸附增强,而在N-CNC上的吸附则显著减弱.这表明B-CNC有望作为Na离子电池的负极材料.本文的研究结果对以CNC为负极材料的Na离子电池的研究提供了理论指导.     

亲水性两性离子聚合物刷的构象与结构

本文应用分子场理论,研究暴露于水蒸气中的亲水性两性离子聚合物(HP)刷的构象与结构.理论模型考虑HP-水(P-W)氢键和水-水(W-W)氢键效应,以及HP单体之间的偶极-偶极相互作用.研究发现,P-W与W-W氢键决定着HP的水合性,P-W氢键形成,会诱导HP刷溶胀.我们通过考察HP单体间的偶极-偶极相互作用发现,随着偶极-偶极相互作用增强,HP链在垂直培基表面沿着链方向,形成了结节状结构.这是由于HP单体之间的偶极-偶极静电吸引作用导致单体间汇聚结节,这种结节在刷内产生了较强的排斥体积作用,因此,这种HP刷具有抗污性能.在较高的接枝密度环境下,由于HP链间单体之间的偶极-偶极静电吸引作用,会形成链间单体-单体的结节,在刷内形成结节网络状凝胶结构,这种结构的出现,会使得HP刷呈现极强的抗污性.另外,当体系中水蒸气浓度增加、水合相互作用增强时,增加的P-W氢键将平衡HP单体之间的偶极-偶极相互作用,使得结节解开,聚合物链伸展.我们的理论结果符合实验观测,由此表明,P-W氢键效应,以及HP单体之间的偶极-偶极相互作用决定着HP刷的构象转变和结构特性,刷内出现的两性离子聚合物链内单体间的结节和链间单体结节状凝胶结构,是两性离子聚合物刷呈现较强抗污性的本质特性.     

咪唑类氮氧自由基的ESR波谱的酸度相关性-pH自旋探针应用研究之一

根据咪唑类氮氧自由基的结构特性合成了一系列的pH自旅探针,其ESR波谱参数均在一定范围内与介质的酸性呈明显的相关性.可望为较精确地测量化学胶束、细胞等微观体系的pH值开辟一个新的途径.本文研究了灵敏变化的pH范围与取代基的关系,得到了5种自旅探针的ESR参数-pH曲线、pKa值以及Hanmmett相关图,分析了如何通过改变取代基合成出不同pH变化范围并适用于不同生物和化学体系的pH自旅探针,最终达到付诸应用的目的.     

Interaction of light filaments in air

This paper analytically investigates the interaction of light filaments generated by a femtosecond laser beam in air. It obtains the Hamiltonian of a total laser field and interaction force between two filaments with different phase shifts and crossing angles. The property of the interaction force, which leads the attraction or repulsion of filaments, is basically dependent on the phase shift between filaments. The crossing angle between two filaments can only determine the magnitude of the interaction force, but does not change the property of the force.     

牙齿组织光热动态特性仿真与试验研究

调制激光作用牙齿组织发生散射形成光子密度波, 而由于光热效应产生热波, 基于一维介质辐射传输漫射近似方程与一维热传导方程建立了调制激光作用牙齿组织半透明混合介质的一维热波数学模型. 利用该模型仿真分析了牙齿龋损特性参数(牙釉质龋损层光吸收系数、散射系数、热扩散系数及龋损深度)对光热辐射动态响应特性的影响与规律. 利用红外探测器(HgCdTe, 2–12 μm)记录808 nm半导体激光激发牙齿组织产生的热波信号, 由锁相放大器计算热波信号的幅值与相位. 通过频率扫描试验获得了牙齿组织的光热动态响应, 利用多参数最佳统计拟合方法得到了牙齿组织特性参数. 结果表明光热辐射测量对牙齿组织不均匀性和龋损特性均具有较高敏感性与特异性.     

An efficient deterministic secure quantum communication scheme based on cluster states and identity authentication

A novel efficient deterministic secure quantum communication scheme based on four-qubit cluster states and single-photon identity authentication is proposed. In this scheme, the two authenticated users can transmit two bits of classical information per cluster state, and its efficiency of the quantum communication is 1/3, which is approximately 1.67 times that of the previous protocol presented by Wang et al [Chin. Phys. Lett. 23 (2006) 2658]. Security analysis shows the present scheme is secure against intercept-resend attack and the impersonator's attack. Furthermore, it is more economic with present-day techniques and easily processed by a one-way quantum computer.     

用有效折射率／有限元法设计1．55μmTi：LiNbO_3单模条波导及其方向耦合器

应用有效折射率／有限元法（ＥＩ－ＦＥＭ），考虑到ＬｉＮｂＯ３晶体和Ｔｉ扩散的各向异性，折射率增量与寻常光、非寻常光及波长色散的关系，设计了１．５５μｍ光波长下工作的ｚ切ｙ传播Ｔｉ：ＬｉＮｂＯ３单模条波导的制备参数，计算和分析了其单模特性、模式场分布及其变化规律．扩展了ＥＩ－ＦＥＭ，将其用于求解耦合波导系统，确定了方向耦合器的耦合长度及其波长色散特性．