The effect of charge on the dihydrogen storage capacity of Sc2–C6H6

The effect of charge on the dihydrogen storage capacity of Sc₂–C₆H₆ has been investigated at B3LYP-D3/6-311G(d,p) level. The neutral system Sc₂–C₆H₆ can store 8H₂ with gravimetric density of 8.76 wt %, and one H₂ dissociates and bonds atomically on the scandium atom. The adsorption of 8H₂ on Sc₂–C₆H₆ is energetically favorable below 155 K. The atom-centered density matrix propagation (ADMP) molecular dynamics simulations show that Sc₂–C₆H₆ can adsorb 3H₂ within 1000 fs at 300K. Compared with Sc₂–C₆H₆, the charged systems can adsorb more hydrogen molecules with higher gravimetric density, and all the H₂ are adsorbed in the molecular form. The gravimetric densities of Sc₂–C₆H₆⁺ and Sc₂–C₆H₆²⁺ are 9.75 and 10.71 wt%. Moreover, the maximum adsorption of charged systems are favorable in wider temperature range. Most importantly, the ADMP-MD simulations indicate that Sc₂–C₆H₆²⁺ can adsorb 6 hydrogen molecules within 1000 fs at 300K. It can be found that the gravimetric density (6.72 wt%) of Sc₂–C₆H₆²⁺ still exceeds the target of US Department of Energy (DOE) under ambient conditions.     

An end-to-end denoising autoencoder-based deep neural network approach for fault diagnosis of analog circuit

Analog Integrated Circuits and Signal Processing - Fault diagnosis of analog circuit is critical to improve safety and reliability in electrical systems and reduce losses. Traditional fault...     

A Dual Inhibitor of DYRK1A and GSK3β for β-Cell Proliferation: Aminopyrazine Derivative GNF4877

Loss of β-cell mass and function can lead to insufficient insulin levels and ultimately to hyperglycemia and diabetes mellitus. The mainstream treatment approach involves regulation of insulin levels; however, approaches intended to increase β-cell mass are less developed. Promoting β-cell proliferation with low-molecular-weight inhibitors of dual-specificity tyrosine-regulated kinase 1A (DYRK1A) offers the potential to treat diabetes with oral therapies by restoring β-cell mass, insulin content and glycemic control. GNF4877, a potent dual inhibitor of DYRK1A and glycogen synthase kinase 3β (GSK3β) was previously reported to induce primary human β-cell proliferation in vitro and in vivo. Herein, we describe the lead optimization that lead to the identification of GNF4877 from an aminopyrazine hit identified in a phenotypic high-throughput screening campaign measuring β-cell proliferation.     

Understanding trust in ms-commerce: The roles of reported experience,linguistic style,profile photo,emotional, and cognitive trust

This paper examines what influences trust in mobile social commerce environment. Drawing on trust-based acceptance model (i.e. cognitive and emotional trust) and online review features (i.e. profile photo, linguistic style, and reported experience), we examine how these factors affect trust in mobile social commerce. Hypotheses were tested using survey data. The results of our model showed that there are significant influences of profile photo, reported experience, cognitive, and emotional trust towards trust in ms-commerce. This work contributes to existing literature by examining the roles of previous trust in mobile payments and online reviews on trust in mobile social commerce.     

影响煤层气开发效果的地质因素再认识

地质特征认识对煤层气开发效果起着重要作用。在资源特征相差不大的情况下,发现煤层气相邻井的产量差异仍较大。排除工程因素后,通过选取8类地质参数,细致比对了保德区块低产井与邻井的参数特征,筛查出其关键因素为煤层微幅构造与顶板封盖条件,其中以微幅构造为主。据此,重新认识并划分出区块新的次生褶皱背斜单元、向斜单元和斜坡单元,获得了不同次生褶皱构造单元的开发特征。结果表明,高、低产井分布与次生褶皱背斜、向斜相关性高达92%。其中:高产井主要分布在次生褶皱背斜变化较缓、呈隆起状的“平台”,且煤层顶板以泥岩、碳质泥岩为主,封盖性较好;低产井主要分布在次生褶皱向斜,同一井台各井开发效果差异表现为从向斜条带轴部—向斜条带内—向斜条带外的煤层气井平均单井产量不断增加,到向斜轴部的距离大于向斜曲率半径73.5%的范围为主力产气区,小于向斜曲率半径40.0%范围为产水主力区。这对煤层气新井部署、生产管理、开发调整等,具有一定的指导意义。     

动态评价技术在塔河碳酸盐岩缝洞型油气藏中的应用

塔河油田奥陶系油气藏是大型碳酸盐岩溶洞型油气藏，其储渗空间主要为大小不同的溶洞、裂缝带、溶蚀孔隙等组成，该油气藏具有极强的非均质性，单纯用静态资料来认识这类油气藏是非常困难。文章提出利用生产动态资料和信息进行该类型油气藏研究的新思路，利用人工神经网络技术在处理非线性相关参数预测方面的优势，并以渗流理论为基础，结合试井成果，选用已知油井的产量、油嘴、油压、含水率、气油比、原油密度等6个开发动态参数作为样品输入数据，推导出影响油气藏开发的重要参数（地层系数）与生产信息的关系，建立了人工神经网络预测储层参数的结构模型。通过塔里木盆地塔河油气田实例研究，说明了利用动态信息评价油气藏技术在碳酸盐岩缝洞型油气藏储层预测和非均质性分析等方面具有较高的实用价值。     

LNG冷量优化集成利用技术

我国将相继在沿海地区建成多个LNG接收站，每年将进口数以千万吨计的LNG，同时携带数着巨额冷量，而这些冷量可用于发电、空气分离、制造干冰、低温冷库等众多领域。基于国外LNG冷量利用现状，指出我国即将展开和实施此项技术还存在着：过程火用损较大，缺乏系统、全面的LNG冷量利用技术的研发指导机制，以及宏观调控力度薄弱等问题，进而提出了发展LNG冷量的集成利用方案，可为此类技术的研发利用提供新思路。以福建即将进口的LNG为例，模拟了空气分离与干冰制备的集成工艺流程，结果表明：福建每年进口的260×10⁴t LNG可以冷却290×10⁴t空气，相当于60000 m³/h的氧气制备规模，还可以生产100×10⁴t的干冰，其过程火用损较小；其剩余的高温位冷量可应用于低温冻结库或冰灯等项目，这对主体装置的实施效果和过程火用损的影响较小。该技术的优点在于可灵活控制冷却空气的液化率，基本不用冷却循环水，流程简单，设备投资少，能耗低等。