Modeling DNA beacons at the mesoscopic scale

We report model calculations on DNA single strands which describe the equilibrium dynamics and kinetics of hairpin formation and melting. Modeling is at the level of single bases. Strand rigidity is described in terms of simple polymer models; alternative calculations performed using the freely rotating chain and the discrete Kratky-Porod models are reported. Stem formation is modeled according to the Peyrard-Bishop-Dauxois Hamiltonian. The kinetics of opening and closing is described in terms of a diffusion-controlled motion in an effective free-energy landscape. Melting profiles, dependence of melting temperature on loop length, and kinetic time scales are in semiquantitative agreement with experimental data obtained from fluorescent DNA beacons forming poly(T) loops. Variation in strand rigidity is not sufficient to account for the large activation enthalpy of closing and the strong loop length dependence observed in hairpins forming poly(A) loops. Implications for modeling single strands of DNA or RNA are discussed.     

Electrophoretic mobility and stability of SiO2 nanoparticles in the solutions of AOT in n-hexadecane-chloroform mixtures

Electrophoretic mobility of SiO₂ nanoparticles in a n-hexadecane-chloroform mixture depending on AOT concentration and chloroform content was determined. It was shown that an increase in chloroform content and a decrease in AOT concentration cause a growth in electrophoretic mobility. The use of the values of Debye lengths (characteristic thickness) of the diffuse part of the electric double layer (EDL) that were determined previously allowed us to calculate the electrokinetic potential and to evaluate the stability of organosols. The obtained data were in good correlation with the dynamics of temporal changes of hydrodynamic radius and the intensity of light scattering. Organosols may be used for heteroaggregation (sorption) of Au and Ag nanoparticles on SiO₂.     

基于RST-QFD-Bayes的新型装甲装备通用质量特性评价指标体系构建研究

针对新型装甲装备通用质量特性评价指标体系难以确定的问题,在明确评价指标体系构建原则的基础上,结合新型装甲装备特点,确定了通用质量特性初始评价指标及指标筛选要求,运用QFD将新型装甲装备通用质量特性需求映射为评价指标筛选要求,采用粗糙集理论(Rough Set Theory,RST)确定了指标筛选重要度,考虑到关联度的不确定性及多个专家估计值的平均值和估计值的波动程度,将贝叶斯理论引入关系矩阵的确定中,用区间数确定了关联度,进行了评价指标筛选,构建了新型装甲装备通用质量特性评价指标体系,为新型装甲装备通用质量特性评价奠定了基础。     

基于PLC的环境模拟系统温度控制算法的研究与实现

针对环境模拟试验温度控制系统中被控对象存在的非线性、时滞等特点,本文采用区间限幅PID控制算法和模糊PID控制算法对传统控制方法进行了改进。首先为了解决模拟量三通粗调阀调节缓慢的缺点,建立了区间限幅PID控制算法的控制规则表,并将其在PLC中实现。其次提出用模糊PID控制算法来解决电加热器的非线性、大时滞性问题,并结合实际控制经验建立了模糊控制规则表,然后将模糊PID控制算法在PLC中进行实现。最后将限幅PID和模糊PID控制算法应用于某大型环境模拟试验控制系统,实验结果表明利用改进算法对温度控制具有良好的稳定性及精确度。     

微小型组合导航系统软硬件协同设计

针对机载制导武器对组合导航系统小体积、低功耗、高实时性以及高可靠性的要求,设计了组合导航系统双CPU总体方案。基于Zynq全可定制平台搭建了组合导航系统硬件环境。在分析组合导航系统软件结构的基础上,对任务块、任务优先级以及任务间的同步机制进行了合理设计;同时基于对组合导航滤波器内数据交换的分析,通过设置消息队列实现了任务间通信,且在保证数据一致性的同时,避免了“死锁”问题的出现。     

基于单神经元PID控制器的压电陶瓷控制方法

卫星地面综合测试是卫星研制过程中的重要环节,对系统功能验证及性能评估具有重要作用。传统的卫星地面综合测试系统存在研制周期长、投入较大、自动化流程不够完整、可重用性较差等不足。而北斗导航卫星地面综合测试系统采用分布式、高实时性、可配置、多主机的集成体系结构,是集计算机通讯、实时控制、实时数据处理、事后分析等功能于一体的测试系统,适用于从卫星总装集成到发射各个阶段的电气测试。通过卫星系统级的各项接口、功能、性能指标测试,表明该系统满足支持系统论证、状态确认、问题排查等测试需求,有力支撑了北斗导航卫星的成功发射和在轨运行。     

Characterization of sequence variation at 30 autosomal STRs in Chinese Han and Tibetan populations

Massively parallel sequencing (MPS) technologies have the ability to reveal sequence variations within STR alleles as well as their nominal allele lengths, which have traditionally been detected by CE instruments. Recently, Thermo Fisher Scientific has updated the MPS-STR panel, named the Precision ID GlobalFiler next-generation sequencing (NGS) STR Panel version 2, with primers redesigned to add two pentanucleotide tandem repeat loci and profile interpretation supported by the Converge software. Using the Ion Chef System, the Ion S5XL System, and the Converge software, genetic variations were characterized within STR repeat and flanking regions of 30 autosomal STR markers in 115 unrelated individuals from two Chinese population groups (58 Tibetans and 57 Hans). Nineteen STRs demonstrated a relative increase in diversity with the variant sequence alleles compared with those of traditional nominal length alleles. In total, 390 alleles were identified by their sequences compared with 258 alleles that were identified by length. Of these 92 sequence variants found within the STR repeat regions, 40 variants were located in STR flanking regions. Additionally, the agreement of the results with CE data was evaluated, as was the ability of this new MPS panel to analyze case-type (11 samples) and artificially degraded samples (seven samples in triplicate). The results generated from this study illustrate that extensive sequence variation exists in commonly used STR markers in the selected population samples and indicate that this NGS STR panel has the potential to be used as an effective tool for human forensics.     

The (010) Surface of the Al45Cr7 Complex Intermetallic Compound: Insights from Density Functional Theory

The Al₄₅Cr₇ compound is considered to exhibit an approximant structure of the icosahedral Al₄Cr phase. Its (010) surface has been investigated in detail using density functional calculations. Surface energy calculations show that the stable terminations result from a cleavage of the crystal between adjacent atomic planes, in agreement with the layered structure of the compound. The integrity of the icosahedral atomic arrangements (icosahedral clusters) found in the bulk structure, is predicted to be removed at the surface. This result is in contrast to what has been previously concluded for the (010) surface of the Al₁₃Fe₄ quasicrystal approximant. Our findings are discussed in relation to the bonding network in the compound, calculated using the Crystal Orbital Hamiltonian Population approach, as possible reasons for such contrasted behavior.     

Observations and theories of quantum effects in proton transfer electrode processes

Quantum tunneling effects play an important role in a variety of chemical reactions considerably affecting the reaction rates via opening the classically forbidden paths and emerging as highly efficient or selective processes. However, in the case of electrochemical reactions, quantum tunneling effects are less investigated due to complicated nature of chemical interactions at the electrified interfaces. In this review, we summarize the experimental/theoretical concept of electrochemical quantum proton tunneling (EQPT), which is a key element in microscopic electrode processes. First, we review the experimental observations of EQPT, and next, we discuss possible theoretical pictures of the process. This review shows that a combination of a wide spectrum of scientific efforts is required to understand microscopic mechanism of EQPT including development of the precise electrochemistry-oriented experimental techniques and methodologies, formulation of the appropriate theoretical models for specific systems, and performance of the advanced computational simulations.     

光纤过程检测硫酸亚铁缓释片释放度

建立光纤药物溶出度实时测定仪（FODT）在线监测硫酸亚铁溶出度测定的新方法.研究发现通过络合反应检测Fe2＋是可行的,FODT测定硫酸亚铁缓释片释放度与AAS测定结果无统计学意义.利用FODT过程检测硫酸亚铁缓释片释放度,全面直观地反映了药品的释放过程和内在质量,较经典方法能提供更多信息,测定过程简便自动,测定结果准确可靠.