Practical guide for selection of 1H qNMR acquisition and processing parameters confirmed by automated spectra evaluation

In our recent paper, a new technique for automated spectra integration and quality control of the acquired results in qNMR was developed and validated (Monakhova & Diehl, Magn. Res. Chem. 2017, doi: 10.1002/mrc.4591 ). The present study is focused on the influence of acquisition and postacquisition parameters on the developed automated routine in particular, and on the quantitative NMR (qNMR) results in general, which has not been undertaken previously in a systematic and automated manner. Results are presented for a number of model mixtures and authentic pharmaceutical products measured on 500‐ and 600‐MHz NMR spectrometers. The influence of the most important acquisition (spectral width, transmitter [frequency] offset, number of scans, and time domain) and processing (size of real spectrum, deconvolution, Gaussian window multiplication, and line broadening) parameters for qNMR was automatically investigated. Moderate modification of the majority of the investigated parameters from default instrument settings within evaluated ranges does not significantly affect the trueness and precision of the qNMR. Lite Gaussian window multiplication resulted in accuracy improvement of the qNMR output and is recommended for routine measurements. In general, given that the acquisition and processing parameters were selected based on the presented guidelines, automated qNMR analysis can be employed for reproducible high‐precision concentration measurements in practice.     

基于微信平台防火防盗系统的设计与实现

为提高学生宿舍的火灾预警以及防盗报警的能力, 给学生提供安全舒适的居住环境, 运用无线传感网技 术和后台服务器开发技术, 设计了基于微信公众平台的防火防盗系统。 通过该系统用户可使用微信端实时查 看室内状况, 实现对学生宿舍的远程监控。 该系统成本低、 操作灵活、 界面友好, 经实际使用获得了很好的用 户体验。     

NGN 中应用服务器接纳控制算法及仿真

为使 NGN(Next Generation Network)业务开发者能快速灵活地开发和部署业务, 引入资源接纳控制概念, 实现业务控制与资源传送相分离。 在研究应用服务器接纳控制模型的基础上, 对接纳控制算法资源分配机制 进行分析, 并运用 Matlab 对算法进行了仿真。 仿真结果表明, 接纳控制 PIAA(Parameter Iterative Adaption Algorithm)算法能很好地完成应用服务器接纳控制的任务。     

Towards a black‐box for biological EXAFS data analysis. II. Automatic BioXAS Refinement and Analysis (ABRA)

In biological systems, X‐ray absorption spectroscopy (XAS) can determine structural details of metal binding sites with high resolution. Here a method enabling an automated analysis of the corresponding EXAFS data is presented, utilizing in addition to least‐squares refinement the prior knowledge about structural details and important fit parameters. A metal binding motif is characterized by the type of donor atoms and their bond lengths. These fit results are compared by bond valance sum analysis and target distances with established structures of metal binding sites. Other parameters such as the Debye–Waller factor and shift of the Fermi energy provide further insights into the quality of a fit. The introduction of mathematical criteria, their combination and calibration allows an automated analysis of XAS data as demonstrated for a number of examples. This presents a starting point for future applications to all kinds of systems studied by XAS and allows the algorithm to be transferred to data analysis in other fields.     

浅谈如何手工修复被黑服务器

机房服务器通常提供全天候不间断服务,一旦被黑将造成较大影响和损失,作为机房管理人员,如何尽快发现服务器被黑,并及时进行修复就变得非常重要。探讨了如何清理木马,如何防范服务器再次被黑。     

浅谈公共图书馆自动化的发展

阐述了图书馆自动化发展的历程,分析了国内图书馆自动化发展的现状及面临的问题,提出了图书馆自动化发展的建议。     

食品包装机械的自动控制

食品包装机械自动化有利于提高设备的生产率，满足人们日益增长的生活需求，保证食品包装的一致性和安全性. 指出要实现食品包装机械自动化，需要考虑包括控制器、传感器、伺服驱动技术、人机交互界面及网络技术等问题；同时从食品包装机械自动化的发展趋势看，要加强对设备的数控化，设备信息的一体化及设备故障诊断的智能化等方面的研究.     

Photochemical Synthesis of the Bioactive Fragment of Salbutamol and Derivatives in a Self-Optimizing Flow Chemistry Platform

The implementation of self-optimizing flow reactors has been mostly limited to model reactions or known synthesis routes. In this work, a self-optimizing flow photochemistry platform is used to develop an original synthesis of the bioactive fragment of Salbutamol and derivatives. The key photochemical steps for the construction of the aryl vicinyl amino alcohol moiety consist of a C−C bond forming reaction followed by an unprecedented, high yielding (>80 %), benzylic oxidative cyclization.     

Machine-Driven Chemoenzymatic Synthesis of Glycopeptide

Historically, researchers have put considerable effort into developing automation systems to prepare natural biopolymers such as peptides and oligonucleotides. The availability of such mature systems has significantly advanced the development of natural science. Over the past twenty years, breakthroughs in automated synthesis of oligosaccharides have also been achieved. A machine-driven platform for glycopeptide synthesis by a reconstructed peptide synthesizer is described. The designed platform is based on the use of an amine-functionalized silica resin to facilitate the chemical synthesis of peptides in organic solvent as well as the enzymatic synthesis of glycan epitopes in the aqueous phase in a single reaction vessel. Both syntheses were performed by a peptide synthesizer in a semiautomated manner.