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The isomerism of glucaric acids and the complexity of the composition of Leonurus japonicus Houtt. increased the difficulty of the separation of glucaric acids from the herb. In the present study, three glucaric acids were isolated from Leonurus japonicus Houtt. by using high-speed countercurrent chromatography combined with semi-preparative high-performance liquid chromatography. Cation exchange resin chromatography was applied to remove the alkaloids and enrich the glucaric acid fractions. Preliminary separation of the glucaric acid extract by high-speed countercurrent chromatography was carried out at 45℃ by using an optimized solvent system of ethyl acetate/n-butanol/formic acid/water (1:1:0.01:2, v/v/v/v) with satisfied stationary phase retention and separation factor. The semi-preparative high-performance liquid chromatography was used for further separation and purification of the target fractions, and three monomeric compounds were obtained with purities of 90.0, 91.0, and 95.3%. UV spectroscopy, NMR spectroscopy, and mass spectrometry were employed to identify their structures, which were assigned as 2-syringyl glucaric acid, 2,4-disyringyl glucaric acid, and 3,4-disyringyl glucaric acid, respectively, and 2,4-disyringyl glucaric acid was reported for the first time.  相似文献   
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采用基于密度泛函理论的第一性原理平面波赝势方法,计算不同数量的锂离子引起的硅材料晶体结构的变化以及在嵌锂过程中形成LixSi(x=1、2、2.4、4.4)合金相的形成能与电子结构.采用LST/QST方法计算过渡态,模拟合金体相中的锂离子迁移过程.计算结果表明,随着嵌锂数量的增加,硅晶胞的体积在不断增大;LixSi合金相的形成能为负值,表明在嵌锂过程中锂离子和硅原子可以自发形成这些合金相,其中Li7Si3合金最容易形成;随着嵌锂量的增加,锂离子在费米能级处s轨道提供的电子数逐渐增加,锂硅合金在费米能级处的电子数量呈增大趋势,表明锂硅合金的导电性越来越优;常温下Li2Si体相中很难直接形成锂离子空位,但锂离子空位的迁移过程很容易发生.  相似文献   
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Plasma Chemistry and Plasma Processing - CF4 is commonly used in semiconductor industries, and its removal requires a large amount of energy because it is a highly stable perfluorinated compound....  相似文献   
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针对医用高值耗材种类繁多、管理难度大的问题,为减少人力成本、提高医用高值耗材的智能化管理水平。本文提出了基于物联网的高值医用耗材智能屋的管理系统,介绍了智能屋的整体架构、系统功能、核心业务及流程设计,主要分为结构模块、RFID模块、数据库模块、控制系统模块四大模块,具体有用户管理、出入库管理、综合查询、预警管理四大业务,通过GM(1,1)模型对2022年全年高值医用耗材的月消耗量进行预测分析,并且检验得该预测模型的精度等级为一级,模型预测效果很好,能够为医院采购人员采购提供了一个参考,避免因过度的主观估计而造成的耗材浪费。该系统能够有效地提高医院对于高值医用耗材的管理水平,减少人力、物力和财力的消耗,为广大患者提供更加优质的医疗服务。本文所提的高值医用耗材智能屋管理系统解决了传统的高值医用耗材管理的诸多难题。  相似文献   
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Journal of Computer-Aided Molecular Design - We here present a streamlined, explainable graph convolutional neural network (gCNN) architecture for small molecule activity prediction. We first...  相似文献   
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The High Altitude Detection of Astronomical Radiation (HADAR) experiment is a refracting terrestrial telescope array based on the atmospheric Cherenkov imaging technique. It focuses the Cherenkov light emitted by extensive air showers through a large aperture water-lens system for observing very-high-energy γ-rays and cosmic rays. With the advantages of a large field-of-view (FOV) and low energy threshold, the HADAR experiment operates in a large-scale sky scanning mode to observe galactic sources. This study presents the prospects of using the HADAR experiment for the sky survey of TeV γ-ray sources from TeVCat and provids a one-year survey of statistical significance. Results from the simulation show that a total of 23 galactic point sources, including five supernova remnant sources and superbubbles, four pulsar wind nebula sources, and 14 unidentified sources, were detected in the HADAR FOV with a significance greater than 5 standard deviations (σ). The statistical significance for the Crab Nebula during one year of operation reached 346.0 σ and the one-year integral sensitivity of HADAR above 1 TeV was ~1.3%–2.4% of the flux from the Crab Nebula.  相似文献   
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In this concept review, the fundamental and polymerization chemistry of inverse vulcanization for the preparation of statistical and segmented sulfur copolymers, which have been actively developed and advanced in various applications over the past decade is discussed. This concept review delves into a discussion of step-growth polymerization constructs to describe the inverse vulcanization process and discuss prepolymer approaches for the synthesis of segmented sulfur polyurethanes. Furthermore, this concept review discusses the advantages of inverse vulcanization in conjunction with dynamic covalent polymerization and post-polymerization modifications to prepare segmented block copolymers with enhanced thermomechanical and flame retardant properties of these materials.  相似文献   
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Great efforts have been conducted to develop high temperature proton exchange membrane fuel cell (HT-PEMFC) due to its features of enhanced electrocatalyst reactivity, simplified hydrothermal management system and high CO tolerance of catalysts, and remarkable progress has been achieved. However, the easy leaching of phosphoric acid (PA) from the membranes during operation limits its commercial scale-up in complicated environments. This concept here mainly focuses on the recent developments for mitigation of PA loss in PEMs. The probable mechanisms of PA loss are proposed. The approaches to improve PA retention for example via introduction of phosphonic acid by covalent bond, using ion-pairs interaction and siphoning effect, and blending with inorganic nanoparticles are described in detail. Among these strategies, the siphoning effect from the intrinsic microporous PEMs is the most efficient and enables the cell to operate flexibly within a broad temperature range. Therefore, this concept may provide new ideas for the scientists to retain PA, to improve the cell performance and expand the potential applications of PA doped PEMs at elevated humidity and wide temperature range.  相似文献   
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