MPKin-YSTR: Interpretation of Y chromosome STR haplotypes for missing persons cases

Y chromosome Short Tandem Repeat (STR) haplotypes have been used in assisting forensic investigations primarily for identification and male lineage determination. The current SWGDAM interpretation guidelines for Y-STR typing provide helpful guidance on those purposes but do not address the issue of kinship analysis with Y-STR haplotypes. Because of the high mutation rate of Y-STRs, there are complex missing person cases in which inconsistent Y-STR haplotypes between true paternal lineage relatives will arise and cases with two or more male references in the same lineage and yet differ in their haplotypes. Therefore, more useful methods are needed for interpreting the Y-STR haplotype data. Computational methods and interpretation guidelines have been developed specifically addressing this issue, either using a mismatch-based counting method or a pedigree likelihood ratio method. In this study, a software program, MPKin-YSTR, was developed by implementing those more sophisticated methods. This software should be able to improve the interpretation of complex cases with Y-STR haplotype evidence. Thus, more biological evidence will be interpreted, which in turn will result in more investigation leads to help solve crimes.     

Spectroscopic ellipsometry of very thin tantalum pentoxide on Si

Variable angle spectroscopic ellipsometry of very thin T₂O₅ layers on Si and the previously published appropriate algorithm for data interpretation have been successfully applied in terms of accurate characterization of very thin T₂O₅/Si systems. The simulation procedure following a simple three and four layered model was used assuming an existence of inhomogeneous interfacial layers. Quantitative determination of the thicknesses and composition identification were achieved, both for the top T₂O₅ layer and for an interfacial layer. The constituents in the interfacial layer and its depth profiles were recognized.     

Mechanistic aspects of the dehydration and dehydrohalogenation of halo-hydroxyformaldoxime conformers. A quantum chemical model study

A detailed exploration of the configurational and conformational space of chloro- and bromo-hydroxyformaldoximes, Xhfaox (X = Cl, Br) has been carried out with the aid of the B3LYP level of density functional theory, using the 6-31G(d,p) basis set. The most stable configuration in each series of the Clhfaox and Brhfaox conformers corresponds to the Z-s-cis, s-trans configuration, while the highest energy Z-(s-trans, s-cis) conformers were found at 7.0(7.6) and 6.0(6.6) kcal mol(-1), respectively, at the B3LYP(QCISD(T)) levels of theory. Saddle points were also located on the PES of the Clhfaox and Brhfaox compounds corresponding to Z-(s-cis, s-cis) conformers at 13.8(14.9) and 13.6(14.6) kcal mol(-1), respectively, at the B3LYP(QCISD(T)) levels. Upon dehydration Xhfaox could afford a number of isomeric CXNO species. The dehydration processes of Xhfaox are predicted to be endothermic, the computed heats of reactions found in the range of 20.5 to 86.2 kcal mol(-1) and 15.9 to 100.4 kcal mol(-1) at the B3LYP and QCISD(T) levels, respectively. The reaction pathways for the addition of water to halo-fulminates yielding the most stable Xhfaox conformers was predicted to be concerted with a single transition structure, but are asynchronous with activation barriers of 32.8 and 43.0 kcal mol(-1) for the chloro- and bromo-derivatives, respectively. The PES governing the isomerization reactions of the CXNO isomers have also been calculated, and possible isomerization pathways have been delineated. Upon dehydrohalogenation the Xhfaox conformers yield hydroxy-isocyanate or hydroxy-fulminate, the former being more stable by 31.8(18.8) kcal mol(-1) at the B3LYP(QCISD(T)) levels of theory. The reaction pathways for the addition of HX to hydroxy-isocyanate were predicted to be slightly exothermic, the heats of reactions being -3.2 and -5.5 kcal mol(-1), respectively, and have to surmount high activation barriers of 39.7 and 35.0 kcal mol(-1), respectively. Similarly, the addition of HX to hydroxy-fulminate was predicted to be much more exothermic, the heats of reactions being -34.7 and -37.3 kcal mol(-1), respectively, and have to surmount much lower activation barriers of only 10.5 and 7.5 kcal mol(-1) respectively, at the B3LYP level. Finally, calculated structures, relative stability, and bonding properties of all stationary points located on the PES of the systems and reactions studied are thoroughly discussed with respect to computed electronic properties.     

Line profile study with tunable diode laser spectrometers

In this paper, we present the different theoretical line profiles, which can be used to describe a shape of molecular transitions in dilute gases: the Voigt, Galatry, Rautian and speed dependence models. We discuss their limitations and their advantages, and present for illustration different comparisons of model results with experimental data obtained with several diode laser spectrometers suitable for precise line shape measurements.     

A Large Sample Approximation to the Profile Plug-in Upper Confidence Limit

We consider the problem of constructing a 1– upper confidence limit for the scalar parameter ₀ in the presence of the nuisance parameter vector ₀, when the data are discrete. The 'profile plug-in' upper confidence limit is introduced by Kabaila and Lloyd. This confidence limit is based on computing a P-value from an estimator of ₀, replacing the nuisance parameter by the profile maximum likelihood estimate for known, and equating to . Theoretical and numerical evidence for the good coverage properties of this confidence limit is presented by Kabaila and Lloyd. An upper confidence limit should be assessed not only by its coverage properties but also by how large this confidence limit is. We measure how large the profile plug-in upper limit is by using a large sample approximation to it. This large sample approximation is used to delineate further the good properties of this confidence limit.     

Parameters to Define the Electron Beam Trajectory of a Double-Tapered Disc-Loaded Wideband Gyro-TWT in Profiled Magnetic Field

In the method of tapering the cross section of the interaction structure for broadbanding a gyro-TWT, the different portions of the interaction length of the tapered-cross-section waveguide become effective for different frequency ranges if the magnetic field and beam parameters are profiled to maintain the condition of electron cyclotron resonance throughout the interaction length. In the present paper, the study of profiling the magnetic field and beam parameters in steps of the stepped analytical model of a double-tapered disc-loaded circular waveguide was made throughout the steps of the model. In the observed profile, the magnetic flux density in a typical step relative to its value in first-step decreases from first-step (gun-end) to end-step (collector-end) of the model considering the up-tapering schemes, in which structure parameters increase from gun-end to collector-end. Also, the transverse beam velocity in a typical step relative to its value in first-step decreases from gun-end to collector-end. However, the Larmor radius in a typical step relative to its value in first-step as well as the hollow-beam radius in a typical step relative to its value in first-step, both increase from gun-end to collector-end in the model considering the up-tapering schemes.     

开口薄壁杆件横截面几何性质计算

基于有限元方法的思想, 给出了厚度线性变化的薄壁结构扇性几何性质 计算的一种方法, 通过数值实施, 表明了所给方法的正确和有效性.     

菲佐测风激光雷达及风速反演算法

 研制了基于菲佐干涉仪的测风激光雷达系统,并使用高斯拟合法和最大似然法反演风速,对两种风速反演方法进行了分析,结果表明：风速较小时,两种方法具有相似的风速反演精度,但高斯拟合法收敛快、受条纹信噪比影响较小;风速较大时,高斯拟合法会由于条纹移出而产生较大误差,而最大似然法在处理风速较大情况时具有优势。实际风速测量时,应根据风速估计值的大小,采用两种方法分别处理大风速和小风速时的情况。最后,使用研制的测风激光雷达系统和风速反演算法,得到了1.5 km以内的大气风速廓线。