Orbitrap高分辨质谱法快速筛查上海市流通环节蔬菜的农药残留

摘 要：目的 建立蔬菜农药多残留的筛查方法。方法 使用国家标准方法规定的QuEChERS法净化蔬菜样品,结合静电场轨道阱高分辨质谱法(orbitrap high resolution mass spectrometry)开展809种农药的快速非靶向筛查。结果 62种阳性农药的筛查限(screening detection limit, SDL)为0.005~0.010 mg/kg,定量限(limits of quantitation, LOQ)为0.01 mg/kg,线性范围为0.01~0.20 mg/kg,线性相关系数(r2)为0.9917~0.9997,日内精密度为2.77%~6.98% (n=5),日间精密度为4.82%~10.8% (n=5)。200批次样品共检出62种农药,不合格样品28批次,不合格率为14.0%。豇豆的不合格情况比较突出,不合格样品22批次,主要的不合格项是灭蝇胺和噻虫胺。结论 方法快速、准确、分析通量高,在无标准品的情况下实现了蔬菜中809种农药的非靶向快速筛查,可为蔬菜农药残留风险监测和质量控制提供支撑。     

Comparative Analyses of Medicinal Chemistry and Cheminformatics Filters with Accessible Implementation in Konstanz Information Miner (KNIME)

High-throughput virtual screening (HTVS) is, in conjunction with rapid advances in computer hardware, becoming a staple in drug design research campaigns and cheminformatics. In this context, virtual compound library design becomes crucial as it generally constitutes the first step where quality filtered databases are essential for the efficient downstream research. Therefore, multiple filters for compound library design were devised and reported in the scientific literature. We collected the most common filters in medicinal chemistry (PAINS, REOS, Aggregators, van de Waterbeemd, Oprea, Fichert, Ghose, Mozzicconacci, Muegge, Egan, Murcko, Veber, Ro3, Ro4, and Ro5) to facilitate their open access use and compared them. Then, we implemented these filters in the open platform Konstanz Information Miner (KNIME) as a freely accessible and simple workflow compatible with small or large compound databases for the benefit of the readers and for the help in the early drug design steps.     

Probing Distinctive Electron Conduction in Multilayer Rhenium Disulfide

Charge carrier transport in multilayer van der Waals (vdW) materials, which comprise multiple conducting layers, is well described using Thomas–Fermi charge screening (λ_TF) and interlayer resistance (R_int). When both effects occur in carrier transport, a channel centroid migrates along the c‐axis according to a vertical electrostatic force, causing redistribution of the conduction centroid in a multilayer system, unlike a conventional bulk material. Thus far, numerous unique properties of vdW materials are discovered, but direct evidence for distinctive charge transport behavior in 2D layered materials is not demonstrated. Herein, the distinctive electron conduction features are reported in a multilayer rhenium disulfide (ReS₂), which provides decoupled vdW interaction between adjacent layers and much high interlayer resistivity in comparison with other transition‐metal dichalcogenides materials. The existence of two plateaus in its transconductance curve clearly reveals the relocation of conduction paths with respect to the top and bottom surfaces, which is rationalized by a theoretical resistor network model by accounting of λ_TF and R_int coupling. The effective tunneling distance probed via low‐frequency noise spectroscopy further supports the shift of electron conduction channel along the thickness of ReS₂.     

Effect of carrier screening on ZnO-based resistive switching memory devices

The carrier screening effect occurs commonly in dielectric materials. It reduces the electric potential gradient, thus negatively affecting the functionality of resistive random access memory (RRAM) devices. An Au/ZnO film/Al-doped ZnO device fabricated in this work exhibited no resistive switching (RS), which was attributed to the carrier screening effect. Therefore, annealing was used for alleviating the screening effect, significantly enhancing the RS property. In addition, different on/off ratios were obtained for various bias values, and the screening effect was accounted for by investigating electron transport mechanisms. Furthermore, different annealing temperatures were employed to modulate the free carrier concentration in ZnO films to alleviate the screening effect. The maximal on/off ratio reached 10⁵ at an annealing temperature of 600 °C, yielding the lowest number of free carriers and the weakest screening effect in ZnO films. This work investigates the screening effect in RS devices. The screening effect not only modulates the characteristics of memory devices but also provides insight into the mechanism of RS in these devices.

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赖氨酸高产菌株的选育

赖氨酸作为一种重要的饲料用氨基酸,需求量一直在不断增长。传统的赖氯酸生产菌株都是多年来是经过多轮随机突变和筛选得到,而近年来随着基因重组技术的发展及对生物代谢过程的了解,人们已经能够通过基因重组技术,改变代谢途径,提高赖氨酸产量。目前有不少成功将野生菌株改造为高产菌株的案例,他们都可以作为合理设计代谢途径并结合各种组学进行微生物代谢途径改造的基础。本文主要描述通过代谢途径改造并结合高通量筛选技术,快速得到赖氨酸高产菌株的方法。     

中央维护计算机系统中的故障处理技术

针对飞机故障的产生逻辑和处理方法,详细分析了中央维护计算机系统故障数据处理模块的主要功能,建模思想和处理流程;再现了故障信息产生、级联效应删除、重复故障合并以及飞机驾驶舱效应与维护信息关联的全过程。并以国外先进机型为例,对基于逻辑方程的故障隔离技术进行了深入分析,使得系统设计思路与机载故障诊断模型相结合;随着CMCS技术的不断发展和成熟,必将对商用飞机传统维护模式和运营模式产生深远的影响。     

物联网信息安全整体保护实现技术研究

随着物联网技术的飞速发展,其安全问题越来越引起重视。本文首先通过对物联网的基本概念、技术的阐述并结合互联网的特点,探讨了物联网的安全需求;其次提出一种物联网整体防护体系结构,该体系结构以访问控制、可信接入、安全封装等技术为基础,从六个方面提升物联网整体防护水平;最后简单介绍了可信接入与安全封装技术的基本原理,为整体防护技术实现提供借鉴。     

β-淀粉样多肽自聚集抑制剂的电化学筛选方法研究

β-淀粉样多肽（Amyloidbeta,Aβ）的聚集物具有神经细胞毒性,可导致神经元凋亡,从而诱导阿尔茨海默症（Alzheimer’s disease,AD）的发生。能够抑制AB自聚集行为的化合物称为AB自聚集抑制剂。该抑制剂可抑制Aβ有毒聚集物的产生,从而降低Aβ所引起的神经细胞毒性,对AD病有一定的治疗效果。因此。筛选AB自聚集抑制剂对于AD的治疗有着重要的意义。在数以千万计的化合物中,要筛选出对Aβ自聚集有抑制效果的化合物需要借助众多的仪器和研究方法。该文总结了筛选AB自聚集抑制剂的几种方法．重点综述了几种低成本、快速、灵敏的电化学筛选方法。Aβ自聚集抑制剂的筛选对临床上AD病的治疗提供了理论基础,为治疗AD病这一复杂科学问题的研究起到了促进作用。     

A computer program for internal conversion coefficients and particle parameters

Title of program: CATAR Catalogue number: ABGP Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland (see application form in this issue) Computer: UNIVAC 1108; Installation: Sandoz A.G., Basel, Switzerland Operating system: EXEC 8 Programming language used: FORTRAN IV High speed store required: 26K words No. of bits in a word: 36 Overlay structure: None Number of magnetic tapes required: None Other peripherals used: Card reader, line printer Number of cards in combined program and test deck: 3136 Card punching code: BCD     

越流区承压含水层特殊脆弱性评价模型的参数灵敏度分析

承压含水层特殊脆弱性评价中存在着诸多不确定性因素,影响评价结果的可靠性。本文分别运用局部灵敏度分析和Morris法的全局灵敏度分析对承压含水层特殊脆弱性评价模型中的参数进行灵敏度分析,为提高模型评价结果的可靠性奠定了基础。以济宁市承压含水层特殊脆弱性评价为例,对模型中各参数灵敏度进行分析。结果表明：弱透水层厚度、承压水与潜水水头差、弱透水层垂向渗透系数对承压含水层脆弱性评价模型的影响最为显著,弱透水层密度、分配系数与有效孔隙度对模型的影响次之,潜水含水层中污染物浓度与弱透水层弥散度对模型的影响最小;全局灵敏度分析结果显示,除弥散度外的各参数灵敏度系数的绝对值随着承压含水层脆弱等级的升高而降低。