Match statistics for sequence-based alleles in profiles from forensic PCR-mps kits

The first autosomal sequence-based allele (aka SNP-STR haplotype) frequency database for forensic massively parallel sequencing (MPS) has been published, thereby removing one of the remaining barriers to implementing MPS in casework. The database was developed using a specific set of flank trim sites. If different trim sites or different kits with different primers are used for casework, then SNP-STR haplotypes may be detected that do not have frequencies in the database. We describe a procedure to address calculation of match probabilities when casework samples are generated using an MPS kit with different trim sites than those present in the relevant population frequency database. The procedure provides a framework for comparison of any MPS kit or database combination while also accommodating comparison of MPS and CE profiles.     

反应物振动量子数对O(~1D)+HBr→OH+Br立体动力学影响的研究

采用准经典轨线(QCT)方法计算了O(1D)+HBr→OH+Br反应体系的立体动力学反应.基于由Peterson(J.Chem.Phys.113(2000)4598)等人开发的基态势能面上,计算了反应的矢量相关性质,极角p(θ)r及方位角pφ()r以及空间角pθr,φ()r.此外我们还计算了极化微分反应截面(PDDCSs)的分布各矢量性质随各振动量子数变量的变化.结果表明反应受反应物振动量子数影响较大.     

基于语义的软件服务故障自动诊断模型

模仿学习是机器人仿生机制研究的主要内容之一,即通过观察、理解、学习、模仿示教行为实现机器人的仿生特性。基于高斯过程分别表达采集离散示教信号所构成的示教轨迹和含有未知参数策略的模仿轨迹,构建模仿学习方法框架,将概率模型匹配引入到模仿学习中,以KL散度为代价函数比较两种轨迹的概率分布,运用梯度下降法寻求使KL散度最小的最优模仿控制策略,将策略应用于模仿机器人以完成与示教相同的模仿任务。以关节型机器人的机械臂摆动行为模仿为学习任务进行仿真,结果表明基于概率轨迹匹配的模仿学习方法能够实现机械臂摆动行为模仿,学习过程较传统方法简易且学习效果较好。     

O(1D)和CD4反应的准经典轨线

在新的全域势能面上, 用准经典轨线方法细致地研究了O(¹D)+CD₄多通道化学反应的动力学．这个势能面是用交换不变多项式方法基于MRC+Q/aug-cc-pVTZ从头算点拟合得到的．通过计算得到了产物OD+CD₃、D+CD₂OD/CD₃O和D₂+DCOD/D₂CO的分支比、平动能分布以及角度分布,结果显示理论与实验吻合得较好, 从而说明了这个反应的同位素取代效应很小． 研究表明,O(¹D)+CD₄反应是经过陷入的抽取机理发生的： 最初主要通过D原子的抽取,并不是之前人们认为的直接C-D键的插入形成CD3OD中间物后再进而解离成各个产物通道．     

A novel nanoscale fin field effect transistor by amended channel: Investigation and fundamental physics

The present paper proposes a new Fin Field Effect Transistor (FinFET) with an amended Channel (AC). The fin region consists of two sections; the lower part which has a rounded shape and the upper part of fin as conventional FinFETs, is cubic. The AC-FinFET devices are proven to have a lower threshold voltage roll-off, reduced DIBL, better subthreshold slope characteristics, and a better gate capacitance in comparison with the C-FinFET. Moreover, the simulation result with three-dimensional and two-carrier device simulator demonstrates an improved output characteristic of the proposed structure due to reduction of self-heating effect. Due to the rounded shape of the lower fin region and decreasing corner effects there, the heat can flow easily, and the device temperature will decrease. Also the gate control over the channel increases due to the narrow upper part of the fin. The paper, thus, attempts to show the advantages of higher performance AC-FinFET device over the conventional one, and its effect on the operation of nanoscale devices.     

The effect of short glass fibers on the process behavior of polyamide 12 during selective laser beam melting

In additive manufacturing, polymer composites are used for setting tailored properties. Short glass fibers can be used as fillers for polyamide 12 for enhancing stiffness or tensile strength as well as for reducing shrinkage. In this paper, the effects of short glass fibers on polyamide 12 concerning powder properties, process behavior and part properties in laser beam melting of polymers (SLS) are investigated. It could be shown that by increasing the short glass fiber content powder properties as well as part properties are immensely affected. By adding glass fibers, powder properties, like flowability and diffuse reflection decrease. The isothermal crystallization changes resulting in a narrower processing window. Concerning mechanical properties, short glass fibers allow for a higher stiffness until a critical limit of filler concentration within this study is reached, after which the tensile strength decreases. The elongation of break decreases by rising the filler content.     

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.     

Synthesis and Molecular Structure of [Ru3(CO)10(μ-dppa)] (dppa = Ph2PN(H)PPh2) Provided by Its Dioxane Solvate

The sodium benzophenone ketyl-induced reaction of [Ru₃(CO)₁₂] with bis(diphenylphosphanyl)amine Ph₂PN(H)PPh₂ (dppa) in THF resulted in the formation of the expected metal cluster [Ru₃(CO)₁₀(μ-dppa)] ( 1 ) in high yield. 1 was fully characterized by spectroscopic means and crystals of the compound suitable for X-ray diffraction were obtained from dichloromethane/dioxane. The molecular structure of 1 as its dioxane solvate was determined by X-ray crystallography. The compound crystallized in a new crystal structure of [Ru₃(CO)₁₀(μ-dppa)] in the triclinic space group P1 , whereas that compound was described in an earlier report crystallizing from chloroform in the monoclinic space group P2₁/c.     

3kA钕电解槽流场中颗粒受力分析

近年来随着NdFeB永磁的应用发展,对金属Nd质量的要求越来越高,而电解过程碳颗粒运动及溶解对金属质量的影响至关重要。通过理论与数值模拟相结合的方式对流场中不溶于电解液的碳固体颗粒的主要受力类型进行梳理,对其运动轨迹进行数值模拟研究,针对稀土电解槽进行了颗粒-流场的计算及模拟,研究发现曳力及重力是颗粒在电解槽中起主要作用的力。曳力是改变颗粒运动轨迹的影响因素,且曳力随粒径的增大而增大。0.07 mm颗粒粒径是区分主要作用力是重力还是曳力的临界值,颗粒粒径越大,越不利于电解槽得到纯净的Nd单质。对进一步改进电解槽槽型,从而得到质量更好、杂质更少的稀土金属,并对后续各物理场对颗粒的影响提供参考意义。     

Recent advances in short peptide self-assembly: from rational design to novel applications

Owing to their structural simplicity and robust self-assembled nanostructures, short peptides prove to be an ideal system to explore the physical processes of self-assembly, hydrogels, semi-flexible polymers, quenched disorder, and reptation. Rational design in peptide sequences facilitates cost-effective manufacturing, but the huge number of possible peptides has imposed obstacles for their characterization to establish functional connections to the primary, secondary, and tertiary structures. This review aims to cover recent advances in the self-assembly of designed short peptides, with a focus on physical driving forces, design rules, characterization methods, and exemplar applications. Super-resolution microscopy in combination with modern image analysis have been applied to quantify the structure and dynamics of peptide hydrogels, while small-angle neutron scattering and solid-state nuclear magnetic resonance continue to provide valuable information on structures over complementary length scales. Short peptides are attractive in biomedicine and nanotechnology, e.g., as antimicrobials, anticancer agents, vehicles for controlled drug release, peptide bioelectronics, and responsive cell culture materials.