Blind estimation of the PN sequence in lower SNR DS-SS signals with residual carrier

This paper presents a method of singular value decomposition (SVD) plus digital phase lock loop (DPLL) to solve the difficult problem of blind pseudo-noise (PN) sequence estimation in low signal to noise ratios (SNR) direct sequence spread spectrum (DS-SS, DS) signals with residual carrier. Of course, the method needs to know the parameters of DS signal, such as the period and code rate of PN sequence. Firstly, the received signal is sampled and divided into non-overlapping signal vectors according to a temporal window, whose duration is two periods of PN sequence. Then, an autocorrelation matrix is computed and accumulated by the signal vectors one by one. The PN sequence with residual carrier can be estimated by the principal eigenvector of this autocorrelation matrix. Furthermore, a DPLL is used to deal with the estimated PN sequence with residual carrier, it estimates and tracks the residual carrier, removes the residual carrier in the end. Theory analysis and computer simulation results show that this method can effectively realize the PN sequence estimation from the input DS signals with residual carrier in lower SNR.     

Accurate Receptor-Ligand Binding Free Energies from Fast QM Conformational Chemical Space Sampling

Small molecule receptor-binding is dominated by weak, non-covalent interactions such as van-der-Waals hydrogen bonding or electrostatics. Calculating these non-covalent ligand-receptor interactions is a challenge to computational means in terms of accuracy and efficacy since the ligand may bind in a number of thermally accessible conformations. The conformational rotamer ensemble sampling tool (CREST) uses an iterative scheme to efficiently sample the conformational space and calculates energies using the semi-empirical ‘Geometry, Frequency, Noncovalent, eXtended Tight Binding’ (GFN2-xTB) method. This combined approach is applied to blind predictions of the modes and free energies of binding for a set of 10 drug molecule ligands to the cucurbit[n]urils CB[8] receptor from the recent ‘Statistical Assessment of the Modeling of Proteins and Ligands’ (SAMPL) challenge including morphine, hydromorphine, cocaine, fentanyl, and ketamine. For each system, the conformational space was sufficiently sampled for the free ligand and the ligand-receptor complexes using the quantum chemical Hamiltonian. A multitude of structures makes up the final conformer-rotamer ensemble, for which then free energies of binding are calculated. For those large and complex molecules, the results are in good agreement with experimental values with a mean error of 3 kcal/mol. The GFN2-xTB energies of binding are validated by advanced density functional theory calculations and found to be in good agreement. The efficacy of the automated QM sampling workflow allows the extension towards other complex molecular interaction scenarios.     

一种联合采样的神经网络光场

相比传统的光场绘制技术,神经网络光场(NeRF)方法可使用神经网络拟合场景的光线采样,将隐式编码输入图片的光场,合成新视图. 针对NeRF方法训练时间长,绘制视图慢的问题,提出了一种基于联合采样的NeRF方法,通过使粗糙网络和细腻网络共享均匀采样结果的方法,减少了不必要的光线采样,从而加快了网络训练和视图合成的速度. 实验结果表明,在取得近似视图合成质量的情况下,与NeRF方法相比,所提方法的训练时间减少了20%,视图合成的效率提高了25%.     

点扩展函数与采样频率及量化精度对图像边缘的影响分析

文章在建立理想边缘成像模型的基础上,分析研究了一般成像系统的点扩展函数与空间采样频率的关系及对图像边缘定位精度的影响,给出了边缘定位误差.同时,还分析研究了量化精度对图像边缘的移位影响,给出了移位误差.最后,给出了本文的分析研究在零件视觉精密检测的应用情况.     

Quantification of secondary structure prediction improvement using multiple alignments

The use of multiple sequence alignments for secondary structurepredictions is analysed. Seven different protein families, containingonly sequences of known structure, were considered to providea range of alignment and prediction conditions. Using alignmentsobtained by spatial superposition of main chain atoms in knowntertiary protein structures allowed a mean of 8% in secondarystructure prediction accuracy, when compared to those obtainedfrom the individual sequences. Substitution of these alignmentsby those determined directly from an automated sequence alignmentalgorithm showed variations in the prediction accuracy whichcorrelated with the quality of the multiple alignments and distanceof the primary sequence. Secondary structure predictions canbe reliably improved using alignments from an automatic alignmentprocedure with a mean increase of 6.87percnt;, giving an overallprediction accuracy of 68.5%, if there is a minimum of 25% sequenceidentity between all sequences in a family.     

Fingerprinting G-protein-coupled receptors

Recently we reported the design of a discriminating fingerprintfor rhodopsin-like G-protein-coupled receptors (GPCRs). Thefingerprint encodes the seven putative membrane-spanning motifsand was potently diagnostic of all GPCRs (52 in all) in version8.1 of the OWL composite sequence database, readily distinguishingthem from all other integral membrane proteins. With a 3-foldincrease in the size of OWL, the fingerprint has been updatedand now finds 332 receptors that match all the motifs. The situation,however, has grown in complexity: 61 sequences make imperfectmatches with the fingerprint, yielding a total of 393 ‘hits’.The bulk of the partial hits are olfactory receptors: theseappear to fall into discrete subfamilies in which one or moreof the transmembrane motifs are either poorly matched or arenot matched at all. These results are supported by preliminaryphylogenetic analyses, which show the olfactory and variousother partial matches clustering away from the main body oftrue hits. The approach has provided a powerful diagnostic toolfor identifying GPCRs, and results are consistent with previousobservations that the pheromone, cAMP and secretin-like receptorsbelong to separate families-these bear their own unique sequencefingerprints by which they may be distinguished from the rhodopsin-likesuperfamily     

Multivehicle coverage control for a nonstationary spatiotemporal field

This paper presents a multivehicle sampling algorithm to generate trajectories for nonuniform coverage of a nonstationary spatiotemporal field characterized by spatial and temporal decorrelation scales that vary in space and time, respectively. The sampling algorithm described in this paper uses a nonlinear coordinate transformation that renders the field locally stationary so that existing multivehicle control algorithms can be used to provide uniform coverage. When transformed back to the original coordinates, the sampling trajectories are concentrated in regions of short spatial and temporal decorrelation scales. For fields with coupled spatial statistics, i.e., the spatial decorrelation scales are functions of both spatial dimensions, the coordinate transformation is implemented numerically, whereas for decoupled spatial statistics, the transformation is expressed analytically. We show that the analytical transformation results in vehicle motion that preserves the vehicle sampling speed (which is a measure of vehicle speed scaled by the ratio of the spatial and temporal decorrelation scales), in the original domain; the sampling speed determines the minimum number of vehicles needed to cover a spatiotemporal domain. Theoretical results are illustrated by numerical simulations.     

岩体结构面对大跨度隧道工程稳定性影响初步研究

基于对沈阳至大连（简称沈大）高速公路扩建工程韩家岭隧道区域调查和分析，研究了岩体结构面对隧道施工过程的影响，围岩失稳方式及可能遇到的问题，并提出了解决这些问题的措施。     

中国狂犬病毒疫苗株CTN-1-V三个代次的GP基因序列分析

目的分析三个代次CTN-1-V病毒株糖蛋白(GP)基因部分序列,并与代表性街毒株进行比较。方法利用RTPCR反应,从感染了CTN-1-V病毒的小鼠脑内获得GPcDNA的部分片段,并进行序列测定。结果三个代次的CTN-1-V病毒株GPcDNA序列的690个核苷酸与代表性狂犬病毒GP核苷酸相应序列同源性为83.2%～96.8%,氨基酸序列同源性为90.0%～97.4%。CTN1V株三代之间的核苷酸序列几乎相同。结论CTN1V株在传代过程中GP基因结构基本稳定,与中国流行的代表性街毒株的同源性高于aG株和PV株。     

农药残留分析样品前处理技术新进展

介绍了近年来农药残留样品前处理技术的新进展,并对此进行了评述和展望。