超高效液相色谱-串联四极杆静电场轨道阱高分辨质谱法测定豆类中的硒代蛋氨酸

该研究利用超高效液相色谱-串联四极杆静电场轨道阱高分辨质谱(UHPLC/ESI-Q-Orbitrap)技术,对硒代蛋氨酸(SeMet)的色谱信息、分子离子质荷比和碎裂片段的质荷比进行采集,并对特征离子碎裂途径进行解析,建立了豆类中硒代蛋氨酸的检测方法。样品用三羟甲基氨基甲烷-盐酸(Tris-HCl)缓冲溶液溶解后,涡旋混匀,超声提取,在恒温水浴条件下酶解,离心后取上清液过0.22μm滤膜后上机检测。采用Hypersil GOLD HILIC(50 mm×2.1 mm,1.9μm)色谱柱进行分离,以0.2%(体积分数,下同)甲酸6 mmol/L甲酸铵水溶液和0.2%甲酸6 mmol/L甲酸铵乙腈溶液为流动相梯度洗脱,采用电喷雾正离子模式电离,在全扫描/数据依赖扫描模式(Full MS/dd-MS2)下进行检测,基质匹配标准校正法定量。结果表明,硒代蛋氨酸的基质效应为15.75%,在0.05~0.5 mg/L范围内线性关系良好,相关系数(r²)为0.9976,方法检出限(LOD)为0.015 mg/kg,定量下限(LOQ)为0.05 mg/kg;空白样品在0.1、0.2、0.4 mg/kg 3个加标水平下的平均回收率为77.6%~83.2%,日内相对标准偏差(RSDr)为2.8%~4.8%,日间相对标准偏差(RSD_R)为4.1%~6.5%。将方法应用于实际样品的检测,得富硒黑豆、富硒红豆、富硒绿豆中硒代蛋氨酸的含量分别为0.252、0.163、0.184 mg/kg。该方法具有前处理操作简单、结果准确、重复性好等优点,适用于豆类中硒代蛋氨酸的检测。     

人工智能在锂离子电池研发中的应用

锂离子电池已成为解决现代社会储能问题的最佳解决方案之一。然而,电池材料和器件开发都是复杂的多变量问题,传统的依赖研究人员进行实验的试错法在电池性能提升方面遇到了瓶颈。人工智能（AI）具有强大的高速、海量数据处理能力,是上述突破研究瓶颈的最具潜力的技术。其中,机器学习 (ML) 算法在评估多维数据变量和集合之间的组合关联方面的独特优势有望帮助研究人员发现不同因素之间的相互作用规律并阐明材料合成和设备制造的机制。本综述总结了锂离子电池传统研究方法遇到的各种挑战,并详细介绍了人工智能在电池材料研究、电池器件设计与制造、材料与器件表征、电池循环寿命与安全性评估等方面的应用。最重要的是,我们介绍了AI和ML在电池研究中面临的挑战,并讨论了它们应用的缺点和前景。我们相信,未来实验科学家、数学建模专家和AI专家之间更紧密的合作将极大地促进AI和ML方法用以解决传统方法难以克服的电池和材料问题。     

血管紧张素转换酶与抑制肽结合模式的分子动力学研究

应用分子模拟方法研究了血管紧张素转换酶(Angiotensin-converting enzyme,ACE)C端结构域(C-domain)与两种抑制肽(RIGLF/AHEPVK)的结合机制,预测了两个体系的结合模式,提出在C-domain-RIGLF中His353,Asp377,Asp453,Phe457,His513,Tyr523和Phe527为RIGLF主要结合残基,而在C-domainAHEPVK中Gln281,His353,Ser355,Glu384,Lys511,His513和Tyr523等残基起关键作用.应用结合自由能计算比较了两个体系的结合能力,结果表明,RIGLF和AHEPVK均与C-domain活性位点残基存在较强作用,且AHEPVK对C-domain的结合能力较强,与实验结果一致.     

应用于单纵模光纤激光器的复合环腔滤波器的理论仿真

提出了一种用于单纵模激光器选模的基于光纤耦合器的光纤复合环腔（CRC）滤波器的仿真方法,利用该方法对两种新型双耦合器双环CRC(DCDR-CRC)滤波器及三耦合器双环CRC(TCDR-CRC)滤波器进行了理论仿真,通过引入游标原理,分析了两种滤波器在不同环长差下的滤波特性,并通过调整DCDR-CRC及TCDR-CRC的耦合比、环长及环长差,对有效自由光谱范围（FSR）、抑制比（SR）及主透射峰带宽进行优化,计算结果表明优化后环腔的有效FSR可有效抑制波长选择器传输通带内的增益竞争,较低的SR可以抑制CRC滤波器相邻透射峰之间的增益竞争,较窄的主透射峰可以保证仅有一个激光器的纵模被选择。     

Numerical simulations of partial elements excitation for hemispherical high-intensity focused ultrasound phased transducer

The hemispherical phased transducer maximizes the coverage of the skull and the ultrasonic energy per unit area of the skull is minimized, thereby reducing the risk of skull burns, but the transducer has a small focal area adjustment range, increasing the focal length of treatment is an urgent question for this type of transducer. In this paper, a three-dimensional high-intensity focused ultrasound (HIFU) transcranial propagation model is established based on the human head structure. The finite difference time domain (FDTD) is combined with the Westervelt acoustic wave nonlinear propagation equation and Penne's biological heat conduction equation for numerical simulation of the sound pressure field and temperature field. Forming a treatable focal area in a small-opening hemispherical transducer with a small amount of numerical simulation calculation focusing at a set position to determine the minimum partial excitation area ratio of focusing. And then, applying these preliminary results to a large-opening diameter hemispherical transducer and the temperature field formed by it or full excitation is studied. The results show that the focus area with the excitation area ratio of less than 22% moves forward to the transducer side when the excitation sound is formed. When the excitation area ratio is greater than or equal to 23%, it focuses at the set position. In the case of partial incentives, using 23% of the partial array, the adjustable range of the treatable focal area formed in the three-dimensional space is larger than that of the full excitation.     

The magnet design for the HLS storage ring upgrade project

In order to improve the performance of the Hefei Light Source (HLS), in particular to get higher brilliance synchrotron radiation and increase the number of straight section insertion devices, an upgrade project called HLSII will be launched soon. The storage ring lattice, which has a double bend achromatic structure with four periods, comprises eight dipoles, 32 quadrupoles and 32 combined function sextupoles. The design and analysis of the magnets are shown in this paper, along with the optimization of the multipurpose combined function magnet, which consists of three magnets: skew quadrupole, horizontal dipole and vertical dipole, with the main sextupole magnet. This type of magnet is the first one that has been designed and used in China. The mechanical design and fabrication procedures for the magnets are also presented.     

碳酸铯修饰Al作为反射阴极的倒置顶发射OLED器件

以Cs₂CO₃修饰的Al电极作为反射阴极制备了高效倒置顶发射结构有机电致发光器件(ITOLED)。以八羟基喹啉铝(Alq₃)作为发光层、MoO₃修饰的Ag为半透明阳极时,器件的开启电压为3.6 V,发光效率和功率效率分别达到9.8 cd/A和3.4 lm/W。研究结果表明,Al/Cs₂CO₃为反射阴极的器件性能明显高于使用Mg:Ag(4.2 V,8.6 cd/A,2.85 lm/W)和Al(5 V,5.5 cd/A,1.57 lm/W)作为反射阴极的倒置顶发射OLED器件。单电子器件研究结果证明,以Cs₂CO₃修饰的Al电极功函数明显低于Mg:Ag和Al电极,具有更好的电子注入效果。因此,除去微腔效应外,Al/Cs₂CO₃为反射电极的ITOLED器件性能的提高主要归因于Al/Cs₂CO₃阴极的有效电子注入。     

Period-doubling bifurcation in two-stage power factor correction converters using the method of incremental harmonic balance and Floquet theory

In this paper, period-doubling bifurcation in a two-stage power factor correction converter is analyzed by using the method of incremental harmonic balance (IHB) and Floquet theory. A two-stage power factor correction converter typically employs a cascade configuration of a pre-regulator boost power factor correction converter with average current mode control to achieve a near unity power factor and a tightly regulated post-regulator DC-DC Buck converter with voltage feedback control to regulate the output voltage. Based on the assumption that the tightly regulated post-regulator DC-DC Buck converter is represented as a constant power sink and some other assumptions, the simplified model of the two-stage power factor correction converter is derived and its approximate periodic solution is calculated by the method of IHB. And then, the stability of the system is investigated by using Floquet theory and the stable boundaries are presented on the selected parameter spaces. Finally, some experimental results are given to confirm the effectiveness of the theoretical analysis.     

冲击荷载下C型G550冷弯钢的断裂机理研究

以C型G550薄壁冷弯钢构件为研究对象, 通过材料在不同应变率下的拉伸实验和数值模拟数据得到Johnson-Cook (J-C)本构模型和Johnson-Cook失效模型参数. 通过Abaqus软件模拟了不同冲击荷载作用下C型冷弯钢构件撕裂破坏的全过程, 利用落锤装置轴向冲击试验进行对比, 其实验结果与有限元数值模拟结果有良好的一致性. 此外, 对冲击试样撕裂断口进行微观形貌分析, 得到构件的断裂机理. 结果表明: 随着冲击速度的提高, 冲击力对构件的加载时间增加, 构件需要较大的塑性变形来吸收冲击能量; 冲击速度越高, 裂纹扩展功所占吸收冲击能量的比例越大, 显示出高速下裂纹扩展的能力越好; 冲击速度较高时, 以脆性断裂为主, 断口出现解理面, 甚至在高速变形时发生了绝热剪切破坏.     

基于突变级数-灰靶的生鲜电商O2O成熟度模型

为了对生鲜农产品电商O2O水平做出评估,本文设计了生鲜电商与传统流通体系融合发展的成熟度模型,确定了成熟度模型五个层级的十七个关键过程域及其目标。通过实例,运用突变级数法和灰靶决策对超市生鲜农产品020的成熟度进行了评估,使其发现经营过程中的薄弱环节并改善,向成熟度更高一层级迈进。结合突变级数和灰靶决策的成熟度模型避免了赋权的主观性,既提高了生鲜农产品电商与传统流通体系融合发展成熟度模型评估的准确性,又不失可靠性、合理性以及科学性,具有重要的实用价值。