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基于UV-Vis检测鸡眼草总黄酮及HPLC同时测定异荭草素等5个黄酮类成分
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作者 张正伟 邵进明 《江西化工》 2026年第1期33-38,共6页
为优化鸡眼草总黄酮提取工艺及与异荭草素等5个黄酮类质量标志物的提取工艺,建立良好的UV-Vis检测法与HPLC检测法。以芦丁为对照品,0.2 mol·mL^(-1) NaAc-HAc(pH=6.20)2 mL为缓冲溶液、0.1 mol·mL^(-1) AlCl_(3)溶液0.5 mL为... 为优化鸡眼草总黄酮提取工艺及与异荭草素等5个黄酮类质量标志物的提取工艺,建立良好的UV-Vis检测法与HPLC检测法。以芦丁为对照品,0.2 mol·mL^(-1) NaAc-HAc(pH=6.20)2 mL为缓冲溶液、0.1 mol·mL^(-1) AlCl_(3)溶液0.5 mL为显色剂,显色20 min,416 nm波长下通过UV-Vis检测总黄酮,同时以异荭草素、芦丁、槲皮素、木犀草素及山柰酚为对照品,Gemini-NX C185μm 110A色谱柱(4.6 mm×250 mm),F=1.0 mL·min^(-1),λ=355 nm,T=30℃,甲醇-0.2%磷酸水溶液流动相梯度洗脱检测异荭草素等5个黄酮类质量标志物。结果显示,UV-Vis检测鸡眼草总黄酮含量为1.64%;HPLC检测得异荭草素等5个黄酮类质量标志物含量分别为1983.02μg·g^(-1)、1073.65μg·g^(-1)、53.87μg·g^(-1)、16.63μg·g^(-1)、27.04μg·g^(-1)。该方法优化了鸡眼草总黄酮提取工艺,建立了总黄酮UV-Vis检测及HPLC同时测定异荭草素等5个黄酮类质量标志物,且高效简便、专属性强,可为鸡眼草药材的质量控制提供参考依据。 展开更多
关键词 鸡眼草 总黄酮 芦丁 槲皮素 异荭草素 uv-vis HPLC
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采用UV-Vis法建立党参中总皂苷及总黄酮含量测定方法 被引量:1
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作者 杨超 薛春龙 +3 位作者 张玺雅 王雅婷 段青青 段秀俊 《广州化工》 2025年第13期56-59,70,共5页
建立党参药材中总皂苷与总黄酮的UV-Vis含量测定方法。总皂苷采用香草醛-浓硫酸显色,总黄酮采用硝酸铝显色,单因素结合正交实验优化显色条件,并通过方法学考察进行验证。得出党参总皂苷的最佳显色条件为浓硫酸加入量0.2 mL、显色温度50... 建立党参药材中总皂苷与总黄酮的UV-Vis含量测定方法。总皂苷采用香草醛-浓硫酸显色,总黄酮采用硝酸铝显色,单因素结合正交实验优化显色条件,并通过方法学考察进行验证。得出党参总皂苷的最佳显色条件为浓硫酸加入量0.2 mL、显色温度50℃,显色时间30 min;总黄酮最佳显色条件为加5%NaNO_(2)溶液2.5 mL、10%Al(NO_(3))_(3)溶液2.5 mL、10%NaOH溶液1 mL,显色温度60℃。在上述显色条件下,党参总皂苷与总黄酮的UV-Vis测定方法满足药典分析方法验证指导原则相关规定。本实验建立的UV-Vis法操作简便,显色稳定,准确度高,重复性好,可用于党参中总皂苷与总黄酮的含量测定。 展开更多
关键词 党参 总皂苷 总黄酮 uv-vis 含量测定
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Quality Control of Tramadol in Kisangani: Development, Validation, and Application of a UV-Vis Spectroscopic Method 被引量:4
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作者 Marguerite Borive Amani Jérémie Mbinze Kindenge +4 位作者 Emile Tweni Baruti Elodie Nsasi Bakiantima Salomon Batina Agasa Philippe Hubert Roland Marini Djang’eing’a 《American Journal of Analytical Chemistry》 2021年第8期295-309,共15页
<strong>Context:</strong> Substandard and falsified medicines are circulating in low-income countries mostly without any control. We availed a simple and not expensive UV-Vis spectroscopic method to evalua... <strong>Context:</strong> Substandard and falsified medicines are circulating in low-income countries mostly without any control. We availed a simple and not expensive UV-Vis spectroscopic method to evaluate the quality of tramadol in Kisangani before and during the Covid-19 period. <strong>Methods:</strong> For the analytical quantitative method, an experimental design was applied to set up the optimal levels of the selected factors, namely, pH of dissolution medium, type of cuvette, and wavelength. Taking into account the capsule pharmaceutical formulation within 80 - 120 μg&middotmL<sup>-1</sup> concentration range, we analyzed 89 tramadol samples from pharmacies and hospitals of the six Kisangani municipalities. <strong>Results:</strong> pH showed a significant effect on absorbance, whereas quartz cuvette and wavelength did not. A typical 100 μg&middotmL<sup>-1</sup> tramadol solution gave an absorbance of 0.64 at 272 nm. Validation highlighted a matrix effect observed with a 6% bias. A correction factor of 0.9372 allowed to improve the accuracy profile, which were then totally included within the 10% acceptance limits. Quality control revealed that 25 samples out of 89 were not compliant in terms of manufacturing license, registration status in DRC and content as well. <strong>Conclusion:</strong> This study showed that the strengthening of analytical strategy in Kisangani is a need. 展开更多
关键词 TRAMADOL uv-vis Spectroscopy method Development VALIDATION Quality Control
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Estimating Aluminum Leaching into Meat Baked with Aluminum Foil Using Gravimetric and UV-Vis Spectrophotometric Method 被引量:1
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作者 Layla A. Al Juhaiman 《Food and Nutrition Sciences》 2015年第5期538-545,共8页
Baking meat by wrapping them in Aluminum (Al) foil is common in many countries. The excessive use of Al foil in baking and the disagreement about using Al foils were the motivation to do this study especially after th... Baking meat by wrapping them in Aluminum (Al) foil is common in many countries. The excessive use of Al foil in baking and the disagreement about using Al foils were the motivation to do this study especially after the 2007 WHO/FDA Report. In this investigation, a gravimetric and a UV-Vis spectrophotometric method are used to estimate Aluminum (Al) leaching into meat baked by wrapping in Al foil. Three kinds of meat were used fish, cow stakes and chicken. The importance of Al exposure area was neglected by many studies. Five factors affecting Al leaching into meat are studied (baking temperature, baking time, additives, Al exposure area and weight of meat). The effect of cooking times (20, 40, 60 minutes) at 180℃ and cooking temperatures (160℃, 180℃, 200℃) at 60 minutes on the amount of Al leaching were evaluated. It was found that Al leaching into meat increased with increasing temperature, baking time, additives and Al exposure area. Moreover, Al exposure area was more effective than the weight of the meat. The Al leaching was highest in fish and lowest in chicken. Comparing the present results with the Provisional Tolerance Weekly Intake of Al approved by WHO/FDA, it shows that Al leaching into meat baked by wrapping in Al foil may add considerable doses into the diet. Continuous monitoring of Al foil used for baking meat is recommended. 展开更多
关键词 AL FOIL AL LEACHING into MEAT Weight Loss uv-vis method Provisional Tolerable WEEKLY Intake
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Application of Total Error Strategy in Validation of Affordable and Accessible UV-Visible Spectrophotometric Methods for Quality Control of Poor Medicines 被引量:1
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作者 Jérémie Kindenge Mbinze Jean Nsangu Mpasi +8 位作者 Elza Maghe Sébastien Kobo Rodrigue Mwanda Guy Mulumba Jacquie Bolavie Bolande Trésor Menanzambi Bayebila Maguy Borive Amani Philippe Hubert Roland Djang’eing’a Marini 《American Journal of Analytical Chemistry》 2015年第2期106-117,共12页
In the framework of fighting against the poor quality medicines sold in developing countries using classical analytical methods easily accessible in those countries, four UV-Visible spectrophotometric methods for one ... In the framework of fighting against the poor quality medicines sold in developing countries using classical analytical methods easily accessible in those countries, four UV-Visible spectrophotometric methods for one antimalarial (quinine) and two antibiotics (amoxicillin and metronidazole) have been developed and validated according to the total error strategy using the accuracy profiles as a decision tool. The dosing range was 2 - 10 μg/mL (for quinine sulfate in tablet), 4 - 12 μg/mL (for quinine bichlorhydrate in oral drop-metronidazole benzaote in oral suspension) and 15 - 35 μg/mL (for amoxicillin trihydrate in capsule). The validated methods were then applied in determining the content of some analogous medicines sold in the Democratic Republic of Congo. Thus, the proposed UV-Visible spectrophotometric methods are simple and suitable to quantify quinine, amoxicillin and metronidazole in different pharmaceutical forms. 展开更多
关键词 POOR Quality MEDICINES uv-visIBLE Spectrophotometric methods QUININE Amoxicillin METRONIDAZOLE VALIDATION Total Error Accuracy Profiles
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UV-Vis检测技术在水利工程混凝土减水剂吸附效能定量表征中的应用研究
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作者 田笑 《中文科技期刊数据库(引文版)工程技术》 2025年第12期114-117,共4页
为解决水利工程混凝土中减水剂吸附行为难以快速准确定量的问题,文章采用紫外可见光(UV-Vis)检测技术,构建了基于226nm特征波长的减水剂浓度测试模型,并系统地考察了不同掺合料体系下减水剂吸附率变化规律,采用了标准曲线的构建、吸附... 为解决水利工程混凝土中减水剂吸附行为难以快速准确定量的问题,文章采用紫外可见光(UV-Vis)检测技术,构建了基于226nm特征波长的减水剂浓度测试模型,并系统地考察了不同掺合料体系下减水剂吸附率变化规律,采用了标准曲线的构建、吸附等温试验和混凝土实际配比的验证三个阶段的实验流程,从而实现了从实验室数据到工程现场的完整闭环。实验数据显示,减水剂的吸附率会因掺合料的种类而有明显的变化,其中硅灰体系的吸附率是最高的,高达37.7%。本方法具有操作简单,反应灵敏及工程适应性好的优点,能够为水利工程中混凝土材料设计及外加剂的调控提供准确的技术支撑。 展开更多
关键词 水利工程 减水剂 uv-vis光谱 吸附率定量分析
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Dynamics of Nonlinear Rossby Waves With the Derivative-Expansion Method
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作者 TIAN Hongxiao ZHANG Ruigang LIU Quansheng 《应用数学和力学》 北大核心 2026年第3期313-328,共16页
Nonlinear Rossby waves are used to describe typical wave phenomena in large-scale atmosphere andocean.Owing to the nonlinearity of the involved problems,the weakly nonlinear method,ie the derivative ex-pansion method,... Nonlinear Rossby waves are used to describe typical wave phenomena in large-scale atmosphere andocean.Owing to the nonlinearity of the involved problems,the weakly nonlinear method,ie the derivative ex-pansion method,was mainly used to investigate Rossby waves under the combined effects of the generalizedβ-effect and the basic flow effect.The derivative expansion method has the advantage of capturing the multi-scalecharacteristics of wave processes simultaneously.In the case where the perturbation expansion is independentof secular terms,the nonlinear equations describing the amplitude evolution of nonlinear waves were derived,such as the Korteweg-de Vries equation,the Boussinesq equation and Zakharov-Kuznetsov equation.Both quali-tative and quantitative analyses indicate that the generalizedβ-effect is the key factor inducing the evolution ofRossby solitary waves. 展开更多
关键词 planetary Rossby waves generalized beta effect derivative-expansion method nonlinear equation
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Influence of SiC Content on Foaming Stability,Cell Structure,and Compression Performance of SiC/Al-Based Composite Foam Prepared by Two-Step Foaming Method
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作者 Huang Wenzhan Liu Tao +3 位作者 Chen Yao Wang Lucai Wu Jianguo You Xiaohong 《稀有金属材料与工程》 北大核心 2026年第4期890-898,共9页
SiC/Al-based composite foams were prepared by a two-step foaming method.The influence of the SiC content and its distribution uniformity on the foaming stability,cell structure,and mechanical properties of the aluminu... SiC/Al-based composite foams were prepared by a two-step foaming method.The influence of the SiC content and its distribution uniformity on the foaming stability,cell structure,and mechanical properties of the aluminum foams was investigated.The macro/micro-features of the aluminum foams were characterized and analyzed.Results demonstrate that an appropriate increase in SiC content and the uniform distribution of SiC can improve the foaming stability,optimize the cell diameter and cell wall thickness,ameliorate the cell distribution,and enhance the hardness and compressive strength of the aluminum foams.However,either insufficient or excessive SiC leads to uneven distribution of SiC particles,which is unfavorable to foaming stability and good cell structure formation.With 6wt%SiC,both the foaming stability and cell structure of the aluminum foam reach the optimal state,resulting in the highest compressive strength and optimal energy absorption capacity. 展开更多
关键词 aluminum foam two-step foaming method foaming stability cell structure HARDNESS compressive strength
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A New Inversion-free Iterative Method for Solving the Nonlinear Matrix Equation and Its Application in Optimal Control
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作者 GAO Xiangyu XIE Weiwei ZHANG Lina 《应用数学》 北大核心 2026年第1期143-150,共8页
In this paper,we consider the maximal positive definite solution of the nonlinear matrix equation.By using the idea of Algorithm 2.1 in ZHANG(2013),a new inversion-free method with a stepsize parameter is proposed to ... In this paper,we consider the maximal positive definite solution of the nonlinear matrix equation.By using the idea of Algorithm 2.1 in ZHANG(2013),a new inversion-free method with a stepsize parameter is proposed to obtain the maximal positive definite solution of nonlinear matrix equation X+A^(*)X|^(-α)A=Q with the case 0<α≤1.Based on this method,a new iterative algorithm is developed,and its convergence proof is given.Finally,two numerical examples are provided to show the effectiveness of the proposed method. 展开更多
关键词 Nonlinear matrix equation Maximal positive definite solution Inversion-free iterative method Optimal control
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Broadband ground motion simulation and analysis of a near-fault 3D basin-mountain coupling site based on the hybrid method
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作者 Liu Zhongxian Tang Kang +2 位作者 Li Chengcheng Yuan Xiaoming Zhang Hai 《Earthquake Engineering and Engineering Vibration》 2026年第1期87-110,共24页
This study presents an effective hybrid simulation approach for simulating broadband ground motion in complex near-fault locations.The approach utilizes a deterministic approach based on the spectral element method(SE... This study presents an effective hybrid simulation approach for simulating broadband ground motion in complex near-fault locations.The approach utilizes a deterministic approach based on the spectral element method(SEM),which is used to simulate low-frequency ground motion(f<1 Hz)by incorporating an innovative efficient discontinuous Galerkin(DG)method for grid division to accurately model basin sedimentary layers at reduced costs.It also introduces a comprehensive hybrid source model for high-frequency random scattering and a nonlinear analysis module for basin sedimentary layers.Deterministic outcomes are combined with modified three-dimensional stochastic finite fault method(3D-EXSIM)simulations of high-frequency ground motion(f>1 Hz).A fourth-order Butterworth filter with zero phase shift is employed for time-domain filtering of low-and high-frequency time series at a crossover frequency of 1 Hz,merging the low and high-frequency ground motions into a broadband time series.Taking an Ms 6.8 Luding earthquake,as an example,this hybrid method was used for a rapid and efficient simulation analysis of broadband ground motion in the region.The accuracy and efficiency of this hybrid method were verified through comparisons with actually observed station data and empirical attenuation curves.Deterministic method simulation results revealed the effects of mountainous topography,basin effects,nonlinear effects within the basin’s sedimentary layers,and a coupling interaction between the basin and the mountains.The findings are consistent with similar studies,showing that near-fault sedimentary basins significantly focus and amplify strong ground motion,and the soil’s nonlinear behavior in the basin influences ground motion to varying extents at different distances from the fault.The mountainous topography impacts the basin’s response to ground motion,leading to barrier effects.This research provides a scientific foundation for seismic zoning,urban planning,and seismic design in nearfault mountain basin regions. 展开更多
关键词 hybrid ground motion simulation method spectral element method three-dimensional stochastic finite fault method near-fault basin-mountain coupling effect basin effect nonlinear effect
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黑木耳黑色素提取工艺与来源对其UV-Vis光谱及抗氧化活性的影响
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作者 李玉玲 陈佳雯 +3 位作者 刘昆昂 马宏 张根伟 李书生 《中国瓜菜》 北大核心 2025年第10期178-188,共11页
黑木耳(Auricularia heimuer)是一种传统的药食同源真菌,富含的黑色素具有抗氧化、抗肿瘤及免疫调节等多种生物活性。为促进黑木耳资源的高效开发与利用,本研究以黑色素得率、UV-Vis光谱特征及抗氧化活性为指标对不同提取工艺及来源获... 黑木耳(Auricularia heimuer)是一种传统的药食同源真菌,富含的黑色素具有抗氧化、抗肿瘤及免疫调节等多种生物活性。为促进黑木耳资源的高效开发与利用,本研究以黑色素得率、UV-Vis光谱特征及抗氧化活性为指标对不同提取工艺及来源获得的黑木耳黑色素进行综合分析评价。结果表明,酶解法是黑木耳子实体黑色素提取的最佳方法,采用酶解法获得的黑色素得率最高(9.49%),体外抗氧化活性最强,2.0 mg·mL^(-1)的黑色素对DPPH、ABTS^(+)和O_(2)^(-)·的清除率分别为80.08%、82.87%、63.47%;从液体发酵液中提取的黑色素对DPPH、O_(2)^(-)·的清除率均最高,样品浓度为2.0 mg·mL^(-1)时,清除率分别为98.52%和80.61%,UV-Vis光谱与黑色素标准品相近。本研究可为黑木耳黑色素的高效提取技术优化及功能产品开发提供重要的理论依据。 展开更多
关键词 黑木耳 黑色素 提取工艺 黑色素来源 抗氧化活性
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Study on the effect of preparation method on denitration performance of Co-modified Ce/TiO_(2) catalyst
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作者 YU Chao ZHANG Boya +2 位作者 SHEN Kai HAN Yuxuan ZHANG Yaping 《燃料化学学报(中英文)》 北大核心 2026年第3期79-91,共13页
This study systematically conducted preparation optimization and performance investigations on Co-modified Ce/TiO_(2) catalysts,with a focus on examining how preparation methods and Co loading regulate the catalyst’s... This study systematically conducted preparation optimization and performance investigations on Co-modified Ce/TiO_(2) catalysts,with a focus on examining how preparation methods and Co loading regulate the catalyst’s low-temperature denitrification activity.After identifying optimal preparation parameters via condition screening,multiple characterization techniques-including BET,XRD,XPS,H_(2)-TPR and in situ DRIFTS-were employed to deeply analyze the catalyst’s physicochemical properties and reaction mechanism.Results demonstrated that compared to the impregnation and co-precipitation methods,the Ce-Co_(0.025)/TiO_(2)-SG catalyst(prepared by the sol-gel method with a Co/Ti mass ratio of 0.025)exhibited significantly superior denitrification activity:NO conversion remained stably above 95%in the 225−350℃ temperature range,and it displayed high N_(2) selectivity.Characterization analysis revealed that abundant surface oxygen vacancies,a high proportion of Ce^(3+) species,and prominent acidic sites collectively contributed to enhancing its low-temperature denitrification performance.This work provides reference value for the development of highly efficient low-temperature denitrification catalysts. 展开更多
关键词 preparation method Co Ce/TiO_(2) low-temperature denitration NH_(3)-SCR
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Establishment of a Determination Method for Fruit Texture in Chieh-qua Using Texture Analyzer
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作者 Ying WANG Xuan DU Na LIU 《Agricultural Biotechnology》 2026年第1期54-59,共6页
[Objectives]This study was conducted to establish a quantitative assessment method for the textural quality of chieh-qua fruit.[Methods]Using two modes of a texture analyzer,namely TPA(texture profile analysis)and pun... [Objectives]This study was conducted to establish a quantitative assessment method for the textural quality of chieh-qua fruit.[Methods]Using two modes of a texture analyzer,namely TPA(texture profile analysis)and puncture,the index data of the fruit were obtained by setting different trigger forces,deformation levels,test speeds,as well as puncture speeds and puncture depths.The data included TPA hardness,adhesiveness,springiness,cohesiveness,gumminess,chewiness,resilience,as well as skin hardness,skin toughness,flesh hardness,fracturability,and compactness.[Results]Different deformation levels had a significant impact on all parameters.Hardness,adhesiveness,gumminess and chewiness showed a trend of first increasing and then decreasing with the deformation level increasing.When the deformation level was 30%,the adhesiveness,gumminess and chewiness reached their maximum values.When the deformation level was 50%,TPA hardness reached its maximum.When the compression speed was 3 mm/s,the measured values of TPA hardness,adhesiveness,chewiness,and resilience were at their maximums.The skin hardness varied significantly under different trigger forces.When the trigger force was 15 g,the skin hardness reached a maximum value of 944.63 g,and the skin toughness,flesh hardness,fracturability,and compactness also reach their maximum values respectively.When the puncture depth was 12 mm,the flesh hardness and skin toughness reached their maximums of 682.51 g and 1.82 mm,respectively.In the TPA mode,the flesh hardness of chieh-qua showed an extremely significant negative correlation with springiness,cohesiveness,and resilience(P<0.01).The fruit fracturability detected by puncture had an extremely significant positive correlation with compactness(P<0.01).[Conclusions]The evaluation method for measuring chieh-qua texture by combining TPA and the puncture mode could accurately and quantitatively reflect the differences in the flesh texture quality of chieh-qua.The optimal parameters for texture measurement of chieh-qua fruit were determined as a 15 g trigger force with 50%deformation and a 3 mm/s compression speed in TPA mode,and a 15 g trigger force with a 12 mm puncture depth in puncture mode.Puncture speed was found to have no significant effect on the texture indices of chieh-qua. 展开更多
关键词 CHIEH-QUA Texture analyzer Texture quality Determination method
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A novel scaling method for the elastic ring supporting structure of an aero-engine rotor system: analytical and experimental investigations
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作者 Lei LI Tianyue MA +4 位作者 Zhong LUO Dongwu GAO Xiangdong GE Hui MA Shibin WANG 《Applied Mathematics and Mechanics(English Edition)》 2026年第1期1-18,共18页
The testing of large structures is limited by high costs and long cycles, making scaling methods an attractive solution. However, the scaling process of elastic rings introduces complexities in multi-parameter geometr... The testing of large structures is limited by high costs and long cycles, making scaling methods an attractive solution. However, the scaling process of elastic rings introduces complexities in multi-parameter geometric distortions, leading to a diminution in the predictive accuracy of the distorted similitude. To address this challenge, this study formulates a novel set of scaling laws, tailored to account for the intricate geometric distortions associated with elastic rings. The proposed scaling laws are formulated based on the intrinsic deformation characteristics of elastic rings, rather than the traditional systemic governing equations. Numerical and experimental cases are conducted to assess the efficacy and precision of the proposed scaling laws, and the obtained results are compared with those achieved by traditional methods. The outcomes demonstrate that the scaling laws put forth by this study significantly enhance the predictive capabilities for deformations of elastic rings. 展开更多
关键词 rotor system AERO-ENGINE elastic ring scaling method supporting structure
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Multiphysics Implicit Coupling Method for Fluid,Particles,and Large-Deformation Structures
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作者 Xiangxiang Wang Hualong Xie +3 位作者 Yue Yu Min Li Yubin Wang Fei Xing 《Computer Modeling in Engineering & Sciences》 2026年第2期367-401,共35页
This study presents an implicit multiphysics coupling method integrating Computational Fluid Dynamics(CFD),the Multiphase Particle-in-Cell(MPPIC)model,and the Finite Element Method(FEM),implemented with OpenFOAM,Calcu... This study presents an implicit multiphysics coupling method integrating Computational Fluid Dynamics(CFD),the Multiphase Particle-in-Cell(MPPIC)model,and the Finite Element Method(FEM),implemented with OpenFOAM,CalculiX,and preCICE to simulate fluid-particle-structure interactions with large deformations.Mesh motion in the fluid field is handled using the radial basis function(RBF)method.The particle phase is modeled by MPPIC,where fluid-particle interaction is described through momentum exchange,and inter-particle collisions are characterized by collision stress.The structural field is solved by nonlinear FEM to capture large deformations induced by geometric nonlinearity.Coupling among fields is realized through a partitioned,parallel,and non-intrusive iterative strategy,ensuring stable transfer and convergence of interface forces and displacements.Notably,the influence of particles on the structure is not direct but mediated by the fluid,while structural motion directly affects particle dynamics.The results demonstrate that the proposed approach effectively captures multiphysics interaction processes and provides a valuable reference for numerical modeling of coupled fluid-particle-structure systems. 展开更多
关键词 Fluid-particle-structure interaction large deformation partitioned method non-intrusive coupling
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A Cost-Effective Approach to Precisely Estimate Singlet-Triplet Energy Gaps in MR-TADF Molecules:Combining Delta Self-Consistent Field and Time-Dependent Density Functional Theory Methods
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作者 Qian Jina Dong Wang 《Chinese Journal of Chemical Physics》 2026年第1期41-50,I0021-I0032,I0042,共23页
As a novel class of purely organic fluores-cent materials,multiple resonance thermal-ly activated delayed fluorescence(MR-TADF)compounds hold significant promise for next-generation display technologies.The efficiency... As a novel class of purely organic fluores-cent materials,multiple resonance thermal-ly activated delayed fluorescence(MR-TADF)compounds hold significant promise for next-generation display technologies.The efficiency of exciton utilization and the overall performance of organic light-emit-ting devices are closely linked to the singlet-triplet energy gap(ΔE_(ST))of MR-TADF emitters.Identifying an economic and accu-rate theoretical approach to predictΔE_(ST)would be beneficial for high-throughput screening and facilitate the inverse design of MR-TADF molecules.In this study,we evaluated the S_(1)state energy(E(S_(1))),T_(1)state ener-gy(E(T_(1))),andΔE_(ST)using three different physical interpretations:adiabatic excitation ener-gy,vertical absorption energy,and vertical emission energy.We employed the time-depen-dent density functional theory(TDDFT)and delta self-consistent field(ΔSCF)methods to calculate E(S_(1)),E(T_(1)),andΔE_(ST)for 20 MR-TADF molecules reported in the literature.We compared these calculated values with experimental data obtained from fluorescence spec-troscopy at room-temperature(or 77 K)and phosphorescence spectroscopy conducted at 77 K.Our findings indicate that the vertical absorption energy at the S0 state minimum,deter-mined by theΔSCF method,accurately predicts the S_(1)state energy.Similarly,the vertical absorption energy at the S0 state minimum,calculated using the TDDFT method,effectively predicts the T_(1)state energy.TheΔE_(ST)derived from the difference between these two excita-tion energies exhibited the smallest mean absolute error of only 0.039 eV compared to the ex-perimental values.This combination represents the most accurate and cost-effective method reported to date for predicting theΔE_(ST)of MR-TADF molecules,and can be integrated into AI-driven inverse design workflows for new emitters. 展开更多
关键词 Organic light-emitting diode Multiple resonance thermally activated delayed fluorescence emitter Single-triplet energy gap Delta self-consistent field method Time-de-pendent density functional theory method
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Synchronization Stability Analysis of Multi-VSC Grid-connected System via Multi-scale Method
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作者 Meng Huang Yangjian Ling +3 位作者 Han Yan Xikun Fu Xiaoming Zha Herbert Ho-Ching Iu 《CSEE Journal of Power and Energy Systems》 2026年第1期282-293,共12页
In a multiple voltage source converter(VSC)system,the nonlinear characteristics of phase-locked loops(PLLs)and their interactions have a significant influence on the synchronization stability of converters.In this pap... In a multiple voltage source converter(VSC)system,the nonlinear characteristics of phase-locked loops(PLLs)and their interactions have a significant influence on the synchronization stability of converters.In this paper,these influences are investigated from the perspective of the time domain.First,a novel time-domain model of the multi-VSC system is obtained by using a multi-scale method.On this basis,a stability criterion is proposed to assess the synchronization stability of the system.Then,the accuracy of the time-domain model and its stability criterion in various conditions are discussed.Moreover,the negative impact of the interaction on the system is quantified.Finally,the above theoretical analysis is also verified in the controller hardware-in-the-loop(CHIL)experiments. 展开更多
关键词 Multi-scale method multi-VSC phase-locked loops synchronization stability time-domain model
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Healthcare professionals’perspectives on disclosure of diagnosis and related issues in childhood cancer:A mixed methods systematic review
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作者 Run Xie Xiaoyan Huang +4 位作者 Yiran Du Ying Gu Qiongfang Kang Hongsheng Wang Daqian Zhu 《International Journal of Nursing Sciences》 2026年第1期96-104,I0006,共10页
Objectives This review aimed to systematically synthesize the available research on the disclosure of diagnosis and related issues in childhood cancer from the perspectives of healthcare professionals,with the goal of... Objectives This review aimed to systematically synthesize the available research on the disclosure of diagnosis and related issues in childhood cancer from the perspectives of healthcare professionals,with the goal of informing the optimization of disclosure processes and meeting the communication needs of affected families.Methods In accordance with the Joanna Briggs Institute(JBI)methodology for mixed methods systematic reviews,the convergent segregated approach was used in this review.Articles were retrieved from 11 databases,including PubMed,Web of Science,CINAHL,CENTRAL,Embase,Ovid/Medline,PsycINFO,PsycArticles,Scopus,ERIC,and China National Knowledge Infrastructure(CNKI).The quality of the selected articles was assessed using the Mixed Method Appraisal Tool(MMAT).The review protocol was registered on PROSPERO(CRD42024542746).Results A total of 21 studies from 10 countries were included.Their methodological quality was generally medium to high,with MMAT scores ranging from 60%to 100%.The synthesis yielded three core themes:1)the spectrum of professional and societal attitudes toward disclosure;2)the dynamic practices of navigating disclosure amid uncertainty,including timing and environment,stakeholders,and content of disclosure;and 3)factors influencing disclosure,including children’s,parental,healthcare professionals’,and socio-cultural factors.Conclusions This review synthesized the perspectives and experiences of healthcare professionals regarding disclosure in childhood cancer,highlighting the complexity and multidimensional nature of this process in clinical practice.Future research should further investigate the experiences and needs of children and their parents,explore cultural variations in disclosure practices,develop context-appropriate assessment tools,and construct multidimensional intervention strategies to enhance the humanistic care and professional effectiveness of the disclosure process. 展开更多
关键词 Communication CANCER DISCLOSURE Healthcare professionals Mixed methods PEDIATRIC Systematic review
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On the Use of the Nelder-Mead Simplex Method in Control Design and Systems Theory
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作者 Laura Menini Corrado Possieri Antonio Tornambe 《IEEE/CAA Journal of Automatica Sinica》 2026年第1期186-204,共19页
The Nelder-Mead simplex method is a well-known algorithm enabling the minimization of functions that are not available in closed-form and that need not be differentiable or convex.Furthermore,it is particularly parsim... The Nelder-Mead simplex method is a well-known algorithm enabling the minimization of functions that are not available in closed-form and that need not be differentiable or convex.Furthermore,it is particularly parsimonious on the number of function evaluations,thus making it preferable to convex optimization paradigms in the case,common when dealing with control design problems,that the objective function of the optimization problem is non-differentiable,non-convex,and its closed-form is not available or difficult to be computed analytically.The main goal of this paper is to show how the joint use of the Nelder-Mead simplex method and the Morrison algorithm can be successfully used to solve relevant and challenging control problems that cannot be easily solved using analytic methods.In particular,it is shown how the problems of strong stabilization,static output feedback stabilization,and design of robust controllers having fixed structure can be framed as optimization problems,which,in turn,can be efficiently solved by coupling the two above mentioned algorithms.The performance of this procedure is compared with state-of-the-art techniques on dozens of static output feedback benchmark case studies,and its effectiveness is demonstrated by several examples. 展开更多
关键词 Optimization method robust controller static output feedback strong stabilizability
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Investigation of equivalent strength parameters of soil-rock mixture using numerical manifold method
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作者 Junfeng Li Yongtao Yang +2 位作者 Yang Xia Hong Zheng Shuilin Wang 《Journal of Rock Mechanics and Geotechnical Engineering》 2026年第1期637-650,共14页
As binary geological media,soil-rock mixtures(SRMs)exhibit a distinct gradational composition,leading to their unique mechanical behaviors.To appraise the stability of SRM slopes,it is essential to determine equivalen... As binary geological media,soil-rock mixtures(SRMs)exhibit a distinct gradational composition,leading to their unique mechanical behaviors.To appraise the stability of SRM slopes,it is essential to determine equivalent parameters of SRMs,which are typically obtained through experimental and numerical methods.In contrasted to other numerical methods,the numerical manifold method(NMM)is more effective in addressing SRM problems.This is because the high-precision regular mathematical meshes in NMM can be used without aligning with the soil-rock interfaces and boundaries of SRMs.In the current research,the equivalent strength parameters of SRMs,i.e.the equivalent cohesion ce and internal friction angleϕ_(e),are determined using NMM.Initially,an NMM triaxial numerical model is established and validated based on triaxial experiments.Subsequently,the soil and rock parameters are derived through parameter inversion.Moreover,the impacts of rock content,size,shape and rock blocks'major-axis orientation on ce andϕ_(e) of SRMs are thoroughly examined using the NMM triaxial numerical model.Additionally,a fitting function is proposed to linkϕ_(e) to the rock content and size of SRMs.When other influencing factors are fixed,the above fitting model leads to the following conclusions:(1)the predictedϕ_(e) of SRMs increase with the increase of rock content;and(2)SRM samples with smaller rocks display a higher predictedϕ_(e). 展开更多
关键词 Soil-rock mixtures Equivalent strength parameters Numerical manifold method
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