QUADRATURE METHODS FOR HIGHLY OSCILLATORY SINGULAR INTEGRALS

We address the evaluation of highly oscillatory integrals,with power-law and logarithmic singularities.Such problems arise in numerical methods in engineering.Notably,the evaluation of oscillatory integrals dominates the run-time for wave-enriched boundary integral formulations for wave scattering,and many of these exhibit singularities.We show that the asymptotic behaviour of the integral depends on the integrand and its derivatives at the singular point of the integrand,the stationary points and the endpoints of the integral.A truncated asymptotic expansion achieves an error that decays faster for increasing frequency.Based on the asymptotic analysis,a Filon-type method is constructed to approximate the integral.Unlike an asymptotic expansion,the Filon method achieves high accuracy for both small and large frequency.Complex-valued quadrature involves interpolation at the zeros of polynomials orthogonal to a complex weight function.Numerical results indicate that the complex-valued Gaussian quadrature achieves the highest accuracy when the three methods are compared.However,while it achieves higher accuracy for the same number of function evaluations,it requires signi cant additional cost of computation of orthogonal polynomials and their zeros.     

Deeper Insight into the Volatile Profile of Rosa willmottiae with Headspace Solid-Phase Microextraction and GC–MS Analysis

As the distribution center of Rosa in the world, China has abundant wild germplasm resources, which can contribute to the breeding of modern roses. To explore the potential value of wild roses distributed in the Sichuan–Tibet region, solid phase microextraction (SPME) and gas chromatography–mass spectrometry (GC–MS) were used to determine the volatile organic compounds (VOCs) in Rosa willmottiae flowers at three flowering stages (bud stage, initial flowering stage, full flowering stage). Meanwhile, we compared the VOCs of R. willmottiae with different phenotypes (double flowers and single flowers). A total of 74 volatile compounds were identified. The results show that the essential substances belong to alcohols and terpenoids. The main volatile organic compounds are 2-phenyl ethanol (20.49%), benzyl alcohol (10.69%), β-maaliene (8.66%), geranyl acetate (8.47%), and (+)-α-long pinene (6.127%). Different flowering stages had great influence on the volatile profile, from the bud stage to full flowering stage; the content of terpenoids released decreased by 6.17%, whereas alcohols and esters increased by 8.58% and 11.56%, respectively. The chemical diversity and the content of the main components with a different phenotype were not significantly different. Our result will provide a theoretical basis for the development and utilization of Rosa willmottiae in Sichuan and Tibet.     

The Carboxyl Functionalized UiO-66-(COOH)2 for Selective Adsorption of Sr2+

Efficient and selective removal of ⁹⁰Sr is an important process for the safe use of nuclear energy. Herein, we investigate and assess the Sr²⁺ adsorption properties of a metal-organic framework UiO-66-(COOH)₂ functionalized by non-bonded carboxylic groups. This MOF is an exciting class of free carboxylic functionalized MOFs that combine chemical stability with gas sorption, dye elimination, and conductivity. Specifically, we show that uniformly distributed carboxyl and water stability make it accessible for loading Sr²⁺ without structural changes. The FTIR spectroscopy, PXRD analysis, XPS, and SEM-EDS studies show excellent stability as well as the strong affinity between -COOH active site and Sr²⁺. This strong coordination interaction guarantees a high adsorption capacity of 114 mg g⁻¹ within 5 h (pH 5 and 298 K). Combined kinetic and thermodynamic studies show that the surface complexation is strong chemisorption and cost-effective spontaneous process (ΔG = −5.49 kJ mol⁻¹~−2.16 kJ mol⁻¹). The fact that UiO-66-(COOH)₂ not only possesses a high adsorption capacity, but also enables selectivity to Sr²⁺ in the presence of similar radius ions Na⁺ and K⁺, prefigures its great potential for the practical treatment of radioactive Sr²⁺ in polluted water.     

Facial Synthesis and Bioevaluation of Well-Defined OEGylated Betulinic Acid-Cyclodextrin Conjugates for Inhibition of Influenza Infection

Betulinic acid (BA) and its derivatives exhibit a variety of biological activities, especially their anti-HIV-1 activity, but generally have only modest inhibitory potency against influenza virus. The entry of influenza virus into host cells can be competitively inhibited by multivalent derivatives targeting hemagglutinin. In this study, a series of hexa-, hepta- and octavalent BA derivatives based on α-, β- and γ-cyclodextrin scaffolds, respectively, with varying lengths of flexible oligo(ethylene glycol) linkers was designed and synthesized using a microwave-assisted copper-catalyzed 1,3-dipolar cycloaddition reaction. The generated BA-cyclodextrin conjugates were tested for their in vitro activity against influenza A/WSN/33 (H1N1) virus and cytotoxicity. Among the tested compounds, 58, 80 and 82 showed slight cytotoxicity to Madin-Darby canine kidney cells with viabilities ranging from 64 to 68% at a high concentration of 100 μM. Four conjugates 51 and 69–71 showed significant inhibitory effects on influenza infection with half maximal inhibitory concentration values of 5.20, 9.82, 7.48 and 7.59 μM, respectively. The structure-activity relationships of multivalent BA-cyclodextrin conjugates were discussed, highlighting that multivalent BA derivatives may be potential antiviral agents against influenza infection.     

Zinc-Guided 3D Graphene for Thermally Chargeable Supercapacitors to Harvest Low-Grade Heat

Low-grade heat energy recycling is the key technology of waste-heat utilization, which needs to be improved. Here, we use a zinc-assisted solid-state pyrolysis route to prepare zinc-guided 3D graphene (ZnG), a 3D porous graphene with the interconnected structure. The obtained ZnG, with a high specific surface area of 1817 m²·g⁻¹ and abundant micropores and mesopores, gives a specific capacitance of 139 F·g⁻¹ in a neutral electrolyte when used as electrode material for supercapacitors. At a high current density of 8 A·g⁻¹, the capacitance retention is 93% after 10,000 cycles. When ZnG is used for thermally chargeable supercapacitors, the thermoelectric conversion of the low-grade heat energy is successfully realized. This work thus provides a demonstration for low-grade heat energy conversion.     

大功率高温超导滤波器的设计与功率测试

本文在双面YBCO高温超导薄膜上设计并制备了两节大功率超导滤波器,根据滤波器功率承载能力与最大电流密度之间的关系,减小电流密度和分散电流密度的分布是提高功率承载能力的关键.本文采用增加超导谐振器尺寸、优化几何结构及改进馈线耦合方式的方法,设计了两节2 GHz频段梭型谐振器结构的滤波器.设计及测量结果显示了馈线结构及谐振器几何尺寸优化程度对超导滤波器功率承载能力有不同程度的影响,说明了在大功率超导滤波器设计中应选用无结点间隙耦合式馈线以抑制电流密度的聚集.采用优化后的谐振器结构制备的梭型两节超导滤波器经测试功率承载能力为2 W.超导滤波器的尺寸为25×12 mm LaAlO3基片,中心频率2.022 GHz,相对带宽为2.4%.同时给出了超导滤波器功率测试的结构和方法.     

先位粉末套管法制备MgB2/Fe线材的超导性能研究

采用先位法将MgB2粉装入纯铁管中,制备出MgB2/Fe超导线材.用X射线衍射仪和扫描电子显微镜分析了样品的物相组成和显微结构;用SQUID测量了样品的超导转变温度;用标准四引线法测量了短样的临界电流.结果显示,超导样品的临界转变温度约为38.3 K,在4.2 K/4 T下MgB2/Fe线材的临界电流密度为～104A/cm2.研究结果表明,高温退火有效地减少了冷加工过程中产生的应力,改善了晶粒连接性,提高了芯材的致密度,可以显著地提高先位法制备线材的临界电流密度.     

自聚焦透镜高效批量加工的双面研磨抛光法研究

依据双面研磨抛光原理,提出了加工自聚焦透镜平面和斜面辅助工装设计.从工艺技术特点和生产实际过程等方面对设计的工装使用情况进行分析验证.多次大批量加工实践证明,该辅助工装的设计完全满足了自聚焦透镜高效批量加工技术要求,简化整个生产线工艺,减少工艺流程时间,降低材辅料的消耗成本,从而验证了双面研磨抛光法是一种实用的加工自聚焦透镜的新方法.     

光纤环形镜线形腔掺Er3+光纤激光器输出特性的数值分析

在分析光纤环形镜工作原理的基础上,给出了基于光纤环形镜的线形腔掺Er3+光纤激光器相位和幅度的振荡条件.通过求解速率方程,理论分析了其输出特性,获得了稳态条件下激光器输出功率、阈值泵浦功率和斜率效率的解析表达式.推导出激光器工作所需掺Er3+光纤最短长度,并在给定泵浦光功率时,在特定输出波长上获得最大输出功率所需最佳掺Er3+光纤长度的表达式,且通过实验进行了验证.     

PDT光敏剂HA在不同液相体系下的光谱特性研究

为了对候选光敏剂竹红菌甲素(HA)进行改性并保持其优异的敏化特性,对HA的光谱特性和激发态性质作了进一步的指认。系统研究了HA在不同液相体系下的吸收和荧光光谱,对指认HA的光谱和电子跃迁的机制提出了新的依据,结果表明,吸收带I产生于π-π*跃迁,吸收带Ⅱ和Ⅲ产生于P-π共轭所导致的L→aπ跃迁的电子振动结构;荧光发射带I和Ⅱ是产生于同一跃迁机制S1(L,aπ)→S0的正常荧光的振动结构。