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Study on the adsorptive denitrification performance of MIL-101(Cr) and its theoretical calculation
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作者 QIN Yue TANG Ke +3 位作者 HONG Xin WANG Han SHEN Shuo CHEN Jinghui 《燃料化学学报(中英文)》 北大核心 2026年第2期180-192,共13页
The adsorptive denitrification performance of MIL-101(Cr)-0.5 toward pyridine,aniline or quinoline in simulated fuels with basic nitrogen content of 1732μg/g was evaluated separately.Furthermore,the effects of adsorp... The adsorptive denitrification performance of MIL-101(Cr)-0.5 toward pyridine,aniline or quinoline in simulated fuels with basic nitrogen content of 1732μg/g was evaluated separately.Furthermore,the effects of adsorption temperature,adsorption time and adsorbent dosage on their adsorptive denitrification performance were systematically investigated.The experimental results demonstrated that under a fixed adsorbent dosage of 0.05 g and a simulated fuel volume of 10 mL,the optimal removal efficiency for aniline was achieved at 30℃ within 30 min,whereas higher temperatures and longer times(40℃and 40 min)were required for effective removal of pyridine and quinoline.Density Functional Theory(DFT)calculations were conducted via Materials Studio(MS)software to study the adsorptive denitrification mechanism of MIL-101(Cr)toward these three basic nitrogen-containing compounds.The simulation calculation results revealed that the interaction between pyridine and MIL-101(Cr)primarily involved coordination adsorption.In contrast,the interaction between aniline or quinoline and MIL-101(Cr)proceeded mainly through coordination,with additional contributions fromπ-complexation and hydrogen bonding.The overall adsorption strength order is pyridine>aniline>quinoline.During the adsorption process,pyridine and quinoline transfer electrons to the MIL-101(Cr)surface through the H→C→N→Cr^(3+)pathway,while aniline transfers electrons to the MIL-101(Cr)surface through various pathways,including N→Cr^(3+),N→C→Cr^(3+)and N→H→O.Furthermore,adsorption kinetics studies indicated that the adsorption processes for all three basic nitrogen-containing compounds followed the quasi second order kinetic models.The experimental results on the effect of benzene on the adsorptive denitrification performance of MIL-101(Cr)-0.5 demonstrated that benzene exerted a more significant impact on the adsorption of aniline and quinoline.Finally,the adsorbent was regenerated using ethanol washing.It was found that MIL-101(Cr)-0.5 retained stable denitrification performance after two regeneration cycles. 展开更多
关键词 MIL-101(Cr) adsorptive denitrification competitive adsorption regeneration performance simulation calculation
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Multiscale Theoretical Calculations Empower Robust Electric Double Layer Toward Highly Reversible Zinc Anode
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作者 Yufan Xia Zhen Luo +6 位作者 Shuang Chen Yang Xiang Gao Weng Hongge Pan Ben Bin Xu Mi Yan Yinzhu Jiang 《Nano-Micro Letters》 2026年第3期406-427,共22页
The electric double layer(EDL)at the electrochemical interface is crucial for ion transport,charge transfer,and surface reactions in aqueous rechargeable zinc batteries(ARZBs).However,Zn anodes routinely encounter per... The electric double layer(EDL)at the electrochemical interface is crucial for ion transport,charge transfer,and surface reactions in aqueous rechargeable zinc batteries(ARZBs).However,Zn anodes routinely encounter persistent dendrite growth and parasitic reactions,driven by the inhomogeneous charge distribution and water-dominated environment within the EDL.Compounding this,classical EDL theory,rooted in meanfield approximations,further fails to resolve molecular-scale interfacial dynamics under battery-operating conditions,limiting mechanistic insights.Herein,we established a multiscale theoretical calculation framework from single molecular characteristics to interfacial ion distribution,revealing the EDL’s structure and interactions between different ions and molecules,which helps us understand the parasitic processes in depth.Simulations demonstrate that water dipole and sulfate ion adsorption at the inner Helmholtz plane drives severe hydrogen evolution and by-product formation.Guided by these insights,we engineered a“water-poor and anion-expelled”EDL using 4,1’,6’-trichlorogalactosucrose(TGS)as an electrolyte additive.As a result,Zn||Zn symmetric cells with TGS exhibited stable cycling for over 4700 h under a current density of 1 mA cm^(−2),while NaV_(3)O_(8)·1.5H_(2)O-based full cells kept 90.4%of the initial specific capacity after 800 cycles at 5 A g^(−1).This work highlights the power of multiscale theoretical frameworks to unravel EDL complexities and guide high-performance ARZB design through integrated theory-experiment approaches. 展开更多
关键词 Zn anode Theoretical calculations Electric double layers Aqueous rechargeable zinc batteries
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Numerical calculation method of virtual nodes in complex structural composites: mechanical properties characterization and numerical simulation of combined Wbraid/Al/Epoxy functional structural materials
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作者 Zhenhui He Enling Tang +3 位作者 Zhe Zhai Wenjin Yao Ruizhi Wang Yafei Han 《Defence Technology(防务技术)》 2026年第3期149-165,共17页
Existing numerical methods for complex composites, such as multiscale simulation and neural network algorithms, face significant limitations. Multiscale techniques are often prohibitively expensive for large models, w... Existing numerical methods for complex composites, such as multiscale simulation and neural network algorithms, face significant limitations. Multiscale techniques are often prohibitively expensive for large models, while neural networks struggle to represent underlying microscopic material properties. To overcome these challenges, a meso-micro scale numerical method using a virtual node approach is developed in this study. A Wbraid/Al/Epoxy functional structural material is fabricated, and a representative periodic unit cell is identified based on its architecture. The complex structure is then discretized into nodes, and mechanical interactions are governed by pre-defined computation rules. This virtual node method is systematically compared against both multiscale simulation and a neural network algorithm, with validation provided through mechanical experiments. The results demonstrate that the nodal operation strategy significantly reduces computational resource requirements. By quantifying microscopic bonding with coefficients, explicit interface treatment is avoided, granting the method strong adaptability to lattice materials. The method can simulate extremely complex structures using parameters from simple tests and is suited for large systems. Compared to three-point bending experiments, errors for multiscale, virtual node, and neural network methods were 12.4%, 6.9%, and 34.5%, respectively. Under dynamic compression, the errors were 2.7%, 9.3%, and 15.43%. The virtual node method demonstrated superior accuracy under static conditions, enabling efficient prediction and auxiliary development of complex structural materials. 展开更多
关键词 Functional composites Complex structure Meso-micro scale Virtual node calculation method Numerical simulation
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Ab initio calculations of isomers in nuclei near the magic number N=50
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作者 S Q Fan Q Yuan +3 位作者 R Z Hu S L Jin J H Hou F R Xu 《Communications in Theoretical Physics》 2026年第2期44-52,共9页
The study of nuclear isomers can deepen our understanding of nuclear structure and astrophysics.In this work,we have performed the ab initio calculations of isomers in the N=49 isotones.With a chiral two-plus three-nu... The study of nuclear isomers can deepen our understanding of nuclear structure and astrophysics.In this work,we have performed the ab initio calculations of isomers in the N=49 isotones.With a chiral two-plus three-nucleon force,the valence-space effective Hamiltonian was derived using the ab initio many-body perturbation theory named Q-box folded diagrams.The effective operators of electromagnetic operators andβ-decay were obtained using ■-box folded diagrams.With the effective Hamiltonian and operators,we studied the properties of the isomers,gaining a microscopic understanding of the single-particle behaviour of the isomers which we are interested in,showing the reliability of the ab initio calculations. 展开更多
关键词 Ab initio calculations ISOMERISM chiral two-plus three-nucleon force beta decay electromagnetic transitions
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Thermodynamic performance calculation and test verification of gas-liquid two-phase water ramjet engine
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作者 Pingan LIU Dianlong SUN +4 位作者 Xile QIAN Shang LIU Tao WANG Jingtao CHENG Kejing XU 《Chinese Journal of Aeronautics》 2026年第1期1-17,共17页
Underwater gas-liquid two-phase propulsion technology is an emerging propulsion method that offers high efficiency and unrestricted navigation speed.The integration of this technology into water ramjet engines can sig... Underwater gas-liquid two-phase propulsion technology is an emerging propulsion method that offers high efficiency and unrestricted navigation speed.The integration of this technology into water ramjet engines can significantly enhance propulsion efficiency and holds substantial potential for broad applications.However,forming a gas-liquid two-phase flow within the nozzle requires introducing a large amount of rammed seawater.At this time,there is a complex phase transition problem of combustion products in the combustion chamber,which makes the thermodynamic calculation for gas-liquid two-phase water ramjet engines particularly challenging.This paper proposes a thermodynamic calculation method for gas-liquid two-phase water ramjet engines,based on the energy equation for gas-liquid two-phase flow and traditional thermodynamic principles,enabling thermodynamic calculations under conditions of ultra-high water-fuel ratios.Additionally,ground ignition tests of the gas-liquid two-phase engine were conducted,yielding critical engine test parameters.The results demonstrate that the gas-liquid two-phase water ramjet engine achieves a high specific impulse,with a theoretical maximum specific impulse of up to 7000(N s)/kg.The multiphase flow effects significantly impact engine performance,with specific impulse losses reaching up to 25.86%.The error between the thrust and specific impulse in the ground test and the theoretical values is within 10%,validating the proposed thermodynamic calculation method as a reliable reference for further research on gas-liquid two-phase water ramjet engines. 展开更多
关键词 Gas-liquid two-phase flow Ignition test Multiphase flow Thermal calculation Water ramjet engine
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Cocrystal engineering for efficient separation of 4-bromo-3-methylphenol:Design of experiments,characterization,crystal structure and calculation
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作者 Chunxiao Wang Shuai Wang +2 位作者 Hongsen Zhang Chao Li Renzhong Qiao 《Chinese Journal of Chemical Engineering》 2026年第1期83-92,共10页
4-Bromo-3-methylphenol(BMP)is an important chemical intermediate with wide applications in the fields of medicine and pesticides.The synthesis of BMP from m-cresol via bromination is easy to carry out on an industrial... 4-Bromo-3-methylphenol(BMP)is an important chemical intermediate with wide applications in the fields of medicine and pesticides.The synthesis of BMP from m-cresol via bromination is easy to carry out on an industrial scale.However,due to the formation of regioisomeric impurities during bromination and the low melting point of BMP,the separation process is prone to the formation of oily substances,resulting in low yield and purity.In this work,a new cocrystallization engineering approach was proposed to separate and purify BMP.Through design of experiments,the cocrystallization process of BMP and triethylenediamine(DABCO)was optimized using a minimum-run resolution IV screening design combined with response surface methodology.In addition,the obtained 2BMP-DABCO powder was characterized by thermal analysis,powder X-ray diffraction,infrared spectroscopy,and scanning electron microscopy.Single crystals of 2BMP-DABCO were grown from acetone by slow evaporation,and detailed structural information was obtained through single-crystal X-ray diffraction.The self-assembly mechanism was further clarified by density functional theory calculations.This study provides a simple,robust,and scalable method for the production of BMP and offers a reference for the separation and purification of phenolic substances. 展开更多
关键词 4-Bromo-3-methylphenol TRIETHYLENEDIAMINE Cocrystallization engineering Design of experiments Crystal structure calculationS
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Detonation reaction zone width of CL-20-based aluminized explosive: machine learning prediction, theoretical calculation, and experimental characterization
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作者 Ruipeng Liu Wen Pan +3 位作者 Linjing Tang Xianzhen Jia Weiqiang Pang Xiaojun Feng 《Defence Technology(防务技术)》 2026年第3期395-404,共10页
Investigating the detonation reaction zone structures of high explosives is significant for understanding detonation reaction mechanism.This study employed an integrated approach combining machine learning prediction,... Investigating the detonation reaction zone structures of high explosives is significant for understanding detonation reaction mechanism.This study employed an integrated approach combining machine learning prediction,theoretical calculation,and experimental characterization to determine the detonation reaction zone width of CL-20-based aluminized explosive.In this study,the detonation reaction zone refers to the reaction zone between the von Neumann(VN)peak and sonic point,which usually means the so-called detonation driving zone(DDZ).For the machine learning prediction,an ensemble model integrating Random Forest and Support Vector Regression was developed to predict the reaction zone width using a dataset of 19 publicly available samples.For the theoretical calculation,the Wood-Kirkwood(W-K)detonation theory model was utilized to implement numerical calculation of the reaction zone structures,incorporating chemical reaction kinetics to describe the detonation reaction progress.In experimental characterization,the Photon Doppler Velocimetry(PDV)was applied with LiF as the optical window to measure the particle velocity profile of detonation products and derive the reaction zone width.The results indicate that the reaction zone width values are 0.25 mm,0.28 mm,and 0.26 mm obtained from machine learning prediction,theoretical calculation,and experimental characterization,respectively.The corresponding velocities at the Chapman-Jouguet(CJ)point are 1,938 m/s,2,047 m/s,and 1,982 m/s,respectively.The maximum relative deviation in reaction zone width among three methods is approximately 7.7%,while that for CJ particle velocity is approximately 3.3%.These results from all three methods agree well within engineering error.This validates the effectiveness of integrating machine learning prediction,theoretical calculation and advanced experimental techniques for studying the detonation reaction zone structures of high explosives.This research provides insights into the detonation reaction mechanism and reaction zone characteristics of CL-20-based aluminized explosive. 展开更多
关键词 Detonation reaction zone width CL-20-Based aluminized explosive Machine learning Photon Doppler velocimetry(PDV) Theoretical calculation
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Calculation of fill foundation deformation based on a modified unsaturated soil constitutive model
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作者 YANG Xiaohui ZHAO Zhizhong +1 位作者 GUO Nan ZHU Yanpeng 《Journal of Mountain Science》 2026年第2期869-889,共21页
Deformations in high fill foundations comprising soil–stone mixtures must be accurately predicted to ensure construction quality and long-term operational safety.However,existing computational and analytical methods ... Deformations in high fill foundations comprising soil–stone mixtures must be accurately predicted to ensure construction quality and long-term operational safety.However,existing computational and analytical methods inadequately capture their complex mechanical behavior.We conducted a series of triaxial tests on unsaturated soil samples collected from a high fill project site in northwestern China under three stress paths.The incremental nonlinear and elastoplastic constitutive models for unsaturated soils were modified,and a calculation method was developed for the vertical and lateral deformations of high fill foundations using the layered summation approach.The results indicate that for soil samples with the same mixing ratio(m)and compaction coefficient(n),the strength of the sample and its tendency to exhibit shear dilation increase with the net confining pressure or matric suction.Additionally,the stress–strain curve of the soil sample gradually changes from the strain-hardening type to the ideal elastoplastic type as the compaction coefficient increases.Moreover,the compaction coefficient is an important factor influencing the magnitude of yield stress and yield suction in soil samples,and the yield points of both are similar in shape to the loadingcollapse(LC)and suction increase(SI)yield lines obtained using the Barcelona model in the net mean stress-generalized shear stress(p-s)plane,respectively.The modified incremental nonlinear instantaneous model simultaneously considers the effects of the compaction coefficient,suction and mixing ratio,and the model parameter can be simplified to the tangential modulus expression in the Duncan-Chang model when the suction is zero.Furthermore,the modified elastoplastic constitutive model,which considers the effects of the net mean stress,suction and partial stress,can be simplified to the elastoplastic constitutive relationship of saturated soil when the suction is zero.The proposed deformation calculation method,based on the layered summation theory,is applicable to both elastic and elastoplastic foundation states,as confirmed through numerical simulations.Our work can be used as a reference for the calculation of foundation deformation in similar mixed material high fill projects. 展开更多
关键词 High fill engineering Unsaturated soil triaxial test Incremental non-linear constitutive model Elastoplastic constitutive model Layered summation method Foundation deformation calculation
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Research and Application Progress of Intraocular Lens Power Calculation Formulas in the Era of Refractive Cataract Surgery
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作者 Bowei Liang Jinhua Wang +1 位作者 Yao Chen Pan Liu 《Journal of Biosciences and Medicines》 2025年第2期348-356,共9页
As cataract surgery progresses from “restoration of sight” to “refractive correction”, precise prediction of intraocular lens (IOL) power is critical for enhancing postoperative visual quality in patients. IOL pow... As cataract surgery progresses from “restoration of sight” to “refractive correction”, precise prediction of intraocular lens (IOL) power is critical for enhancing postoperative visual quality in patients. IOL power calculation methods have evolved and innovated throughout time, from early theoretical and regression formulas to nonlinear formulas for estimating effective lens position (ELP), multivariable formulas, and innovative formulas that use optical principles and AI-based online formulas. This paper thoroughly discusses the development and iteration of traditional IOL calculation formulas, the emergence of new IOL calculation formulas, and the selection of IOL calculation formulas for different patients in the era of refractive cataract surgery, serving as a reference for “personalized” IOL implantation in clinical practice. 展开更多
关键词 Cataract Surgery Intraocular Lens Power calculation Formula Refractive Cataract Lens Power calculation
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Bridging the gap:Computer-aided detection and Yamada classification system matches expert performance
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作者 Lin Qiu Jian Ding +23 位作者 Chun-Xiao Lai Hui Yang Feng Li Zhi-Jian Li Wen Wu Gui-Ming Liu Quan-Sheng Guan Xi-Gang Zhang Rui-Ya Zhang Li-Zhi Yi Zhi-Fang Zhao Lv Deng Wei-Jian Lun Zhen-Yu Wang Wei-Ming Lu Wei-Guang Qiao Su-Ling Wang Si-Mei Chen Wen-Qian Shen Li-Min Cheng Ben-Gui Zhu Shun-Hui He Jie Dai Yang Bai 《World Journal of Gastroenterology》 2025年第40期86-96,共11页
BACKGROUND Computer-aided diagnosis(CAD)may assist endoscopists in identifying and classifying polyps during colonoscopy for detecting colorectal cancer.AIM To build a system using CAD to detect and classify polyps ba... BACKGROUND Computer-aided diagnosis(CAD)may assist endoscopists in identifying and classifying polyps during colonoscopy for detecting colorectal cancer.AIM To build a system using CAD to detect and classify polyps based on the Yamada classification.METHODS A total of 24045 polyp and 72367 nonpolyp images were obtained.We established a computer-aided detection and Yamada classification model based on the YOLOv7 neural network algorithm.Frame-based and image-based evaluation metrics were employed to assess the performance.RESULTS Computer-aided detection and Yamada classification screened polyps with a precision of 96.7%,a recall of 95.8%,and an F1-score of 96.2%,outperforming those of all groups of endoscopists.In regard to the Yamada classification of polyps,the CAD system displayed a precision of 82.3%,a recall of 78.5%,and an F1-score of 80.2%,outper-forming all levels of endoscopists.In addition,according to the image-based method,the CAD had an accuracy of 99.2%,a specificity of 99.5%,a sensitivity of 98.5%,a positive predictive value of 99.0%,a negative predictive value of 99.2%for polyp detection and an accuracy of 97.2%,a specificity of 98.4%,a sensitivity of 79.2%,a positive predictive value of 83.0%,and a negative predictive value of 98.4%for poly Yamada classification.CONCLUSION We developed a novel CAD system based on a deep neural network for polyp detection,and the Yamada classi-fication outperformed that of nonexpert endoscopists.This CAD system could help community-based hospitals enhance their effectiveness in polyp detection and classification. 展开更多
关键词 Yamada classification ENDOSCOPY Deep learning Artificial intelligence computer-aided diagnosis
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Neonatal Jaundice Detection:A Comprehensive Survey from Manual to Computer-Aided Methods
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作者 Navdeep Kaur Ajay Mittal Aastha Gupta 《Journal of Bionic Engineering》 2025年第6期2774-2804,共31页
Jaundice,common condition in newborns,is characterized by yellowing of the skin and eyes due to elevated levels of bilirubin in the blood.Timely detection and management of jaundice are crucial to prevent potential co... Jaundice,common condition in newborns,is characterized by yellowing of the skin and eyes due to elevated levels of bilirubin in the blood.Timely detection and management of jaundice are crucial to prevent potential complications.Traditional jaundice assessment methods rely on visual inspection or invasive blood tests that are subjective and painful for infants,respectively.Although several automated methods for jaundice detection have been developed during the past few years,a limited number of reviews consolidating these developments have been presented till date,making it essential to systematically evaluate and present the existing advancements.This paper fills this gap by providing a thorough survey of automated methods for jaundice detection in neonates.The primary focus of the survey is to review the existing methodologies,techniques,and technologies used for neonatal jaundice detection.The key findings from the review indicate that image-based bilirubinometers and transcutaneous bilirubinometers are promising non-invasive alternatives,and provide a good trade-off between accuracy and ease of use.However,their effectiveness varies with factors like skin pigmentation,gestational age,and measurement site.Spectroscopic and biosensor-based techniques show high sensitivity but need further clinical validation.Despite advancements,several challenges including device calibration,large-scale validation,and regulatory barriers still haunt the researchers.Standardization,regulatory compliances,and seamless integration into healthcare workflows are the key hurdles to be addressed.By consolidating the current knowledge and discussing the challenges and opportunities in this field,this survey aims to contribute to the advancement of automatic jaundice detection and ultimately improve neonatal care. 展开更多
关键词 Automated jaundice detection Bilirubin estimation Bilirubinometers computer-aided diagnosis HYPERBILIRUBINEMIA JAUNDICE NEONATES
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Research on the Application of AI Computer-Aided Diagnosis in Dermatology
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作者 Xiaochun Zhang 《Journal of Clinical and Nursing Research》 2025年第12期105-110,共6页
With the development of artificial intelligence technology,AI computer-aided diagnosis has found certain applications in the field of dermatology.However,due to the vast variety and complex manifestations of skin dise... With the development of artificial intelligence technology,AI computer-aided diagnosis has found certain applications in the field of dermatology.However,due to the vast variety and complex manifestations of skin diseases,the specific mechanisms underlying AI computer-aided diagnosis in this context still require further exploration.Therefore,this paper,based on the imaging characteristics of skin diseases,elucidates the technical principles of AI computer-aided diagnosis and analyzes the practical application effects of AI in the diagnostic process of skin diseases.This provides new data support and methodological foundations for clinical teaching and research on skin diseases. 展开更多
关键词 AI computer-aided Skin disease diagnosis Image recognition Deep learning Intelligent healthcare
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First-principles Calculations of the Mechanical,Electronic,and Thermodynamic Properties of Cubic Aluminumcopper Intermetallic Compounds under Pressure
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作者 LUO Guoqiang ZHENG Aojun +3 位作者 GUO Chengcheng ZHOU Yiheng ZHANG Ruizhi ZHANG Jian 《Journal of Wuhan University of Technology(Materials Science)》 2025年第4期1126-1139,共14页
The effects of pressure on the structural stability,elasticity,electronic properties,and thermodynamic properties of Al,Al_(3)Cu,Al_(2)Cu,Al_(4)Cu_(9),AlCu_(3),and Cu were investigated using first-principles calculati... The effects of pressure on the structural stability,elasticity,electronic properties,and thermodynamic properties of Al,Al_(3)Cu,Al_(2)Cu,Al_(4)Cu_(9),AlCu_(3),and Cu were investigated using first-principles calculations.The experimental results indicate that the calculated equilibrium lattice constant,elastic constant,and elastic modulus agree with both theoretical and experimental data at 0 GPa.The Young's modulus,bulk modulus,and shear modulus increase with increasing pressure.The influence of pressure on mechanical properties is explained from a chemical bond perspective.By employing the quasi-harmonic approximation model of phonon calculation,the temperature and pressure dependence of thermodynamic parameters in the range of 0 to 800 K and 0 to 100 GPa are determined.The findings demonstrate that the thermal capacity and coefficient of thermal expansion increase with increasing temperature and decrease with increasing pressure.This study provides fundamental data and support for experimental investigations and further theoretical research on the properties of aluminum-copper intermetallic compounds. 展开更多
关键词 INTERMETALLICS ELASTICITY thermodynamic properties ab-initio calculations
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Diagnostic value of real-time computer-aided detection for precancerous lesion during esophagogastroduodenoscopy:A metaanalysis
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作者 Zong-Yang Li Ya-Hui Liu Hong-Qiao Cai 《World Journal of Gastrointestinal Surgery》 2025年第11期473-488,共16页
BACKGROUND Early detection of precancerous lesions is of vital importance for reducing the incidence and mortality of upper gastrointestinal(UGI)tract cancer.However,traditional endoscopy has certain limitations in de... BACKGROUND Early detection of precancerous lesions is of vital importance for reducing the incidence and mortality of upper gastrointestinal(UGI)tract cancer.However,traditional endoscopy has certain limitations in detecting precancerous lesions.In contrast,real-time computer-aided detection(CAD)systems enhanced by artificial intelligence(AI)systems,although they may increase unnecessary medical procedures,can provide immediate feedback during examination,thereby improving the accuracy of lesion detection.This article aims to conduct a meta-analysis of the diagnostic performance of CAD systems in identifying precancerous lesions of UGI tract cancer during esophagogastroduodenoscopy(EGD),evaluate their potential clinical application value,and determine the direction for further research.AIM To investigate the improvement of the efficiency of EGD examination by the realtime AI-enabled real-time CAD system(AI-CAD)system.METHODS PubMed,EMBASE,Web of Science and Cochrane Library databases were searched by two independent reviewers to retrieve literature with per-patient analysis with a deadline up until April 2025.A meta-analysis was performed with R Studio software(R4.5.0).A random-effects model was used and subgroup analysis was carried out to identify possible sources of heterogeneity.RESULTS The initial search identified 802 articles.According to the inclusion criteria,2113 patients from 10 studies were included in this meta-analysis.The pooled accuracy difference,logarithmic difference of diagnostic odds ratios,sensitivity,specificity and the area under the summary receiver operating characteristic curve(area under the curve)of both AI group and endoscopist group for detecting precancerous lesion were 0.16(95%CI:0.12-0.20),-0.19(95%CI:-0.75-0.37),0.89(95%CI:0.85-0.92,AI group),0.67(95%CI:0.63-0.71,endoscopist group),0.89(95%CI:0.84-0.93,AI group),0.77(95%CI:0.70-0.83,endoscopist group),0.928(95%CI:0.841-0.948,AI group),0.722(95%CI:0.677-0.821,endoscopist group),respectively.CONCLUSION The present studies further provide evidence that the AI-CAD is a reliable endoscopic diagnostic tool that can be used to assist endoscopists in detection of precancerous lesions in the UGI tract.It may be introduced on a large scale for clinical application to enhance the accuracy of detecting precancerous lesions in the UGI tract. 展开更多
关键词 Artificial intelligence Real-time computer-aided detection system Precancerous lesion ESOPHAGOGASTRODUODENOSCOPY ENDOSCOPY Upper gastrointestinal tract Diagnostic performance META-ANALYSIS
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Wetting and interfacial behavior of high entropy alloy filler on rare earth silicate system:Phase analysis and first-principles calculations
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作者 Shuai Zhao Buqiu Shao +6 位作者 Haiyan Chen Yuqi Hu Zhaoyi Pan Yongsheng Liu Pengcheng Wang Xiaoguo Song Wenya Li 《Journal of Materials Science & Technology》 2025年第30期223-238,共16页
The vacuum reactive wetting and brazing of Er_(2)Si_(2)O_(7)/MoSi_(2) coatings were investigated using a (CoFeNiCrMn)_(88)Nb_(12) high-entropy alloy (HEA) brazing filler. The microstructural evolution and wettability ... The vacuum reactive wetting and brazing of Er_(2)Si_(2)O_(7)/MoSi_(2) coatings were investigated using a (CoFeNiCrMn)_(88)Nb_(12) high-entropy alloy (HEA) brazing filler. The microstructural evolution and wettability of the HEA filler were analyzed, with particular attention to the surface energy, interfacial stability, and electronic properties of the HEA filler/rare earth silicate coating system, as determined by density functional theory (DFT). As Nb diffused into the interface and the ErNbO_(4) phase formed, the wetting angle gradually decreased to 23.12° The effective wetting and spreading of the HEA brazing filler on the rare earth silicate coating surface are strongly correlated with the formation of the ErNbO_(4) phase at the interface. Furthermore, DFT calculations reveal that the interfacial bonding energy between the BCC' and FCC' phases and the ErNbO_(4) phase, after the wetting reaction, is significantly higher than the bonding energy between the initial filler and Er_(2)Si_(2)O_(7). This finding suggests that the formation of the ErNbO_(4) phase improves the wetting and spreading behavior of the filler. 展开更多
关键词 High entropy alloy WETTABILITY Microstructures First-principles calculations Interfaces
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First-principles calculations on strain tunable hyperfine Stark shift of shallow donors in Si
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作者 Zi-Kai Zhou Jun Kang 《Chinese Physics B》 2025年第8期413-417,共5页
Control of hyperfine interaction strength of shallow donors in Si is one of the central issues in realizing Kane quantum computers.First-principles calculations on the hyperfine Stark shift of shallow donors are chall... Control of hyperfine interaction strength of shallow donors in Si is one of the central issues in realizing Kane quantum computers.First-principles calculations on the hyperfine Stark shift of shallow donors are challenging since large supercells are needed to accommodate the delocalized donor wave functions.In this work,we investigated the hyperfine Stark shift and its strain tunability for shallow donors P and As in Si using the potential patching method based on first-principles density functional theory calculations.The good agreement between our calculations and experimental results confirms that the potential patching method is a feasible and accurate first-principles approach for studying wave-function-related properties of shallow impurities,such as the Stark shift parameter.It is further shown that the application of strain expands the range of hyperfine Stark shift and helps improve the response of shallow donor based qubit gates.The results could be useful for developing quantum computing architectures based on shallow donors in Si. 展开更多
关键词 shallow donors first-principles calculations hyperfine interaction
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Theoretical Study and Slip Effect Analysis of Elastic Calculation Methods for Steel-Concrete Composite Beams
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作者 Shaohui Chu Xiangkai Zeng Zhixin Guo 《Journal of World Architecture》 2025年第5期67-74,共8页
Steel-concrete composite beams,due to their superior mechanical properties,are widely utilized in engineering structures.This study systematically investigates the calculation methods for internal forces and load-bear... Steel-concrete composite beams,due to their superior mechanical properties,are widely utilized in engineering structures.This study systematically investigates the calculation methods for internal forces and load-bearing capacity of composite beams based on elastic theory,with a focus on the transformed section method and its application under varying neutral axis positions.By deriving the geometric characteristics of the transformed section and incorporating a reduction factor accounting for slip effects,a computational model for sectional stress and ultimate load-bearing capacity is established.The results demonstrate that the slip effect significantly influences the flexural load-bearing capacity of composite beams.The proposed reduction factor,which considers the influence of the steel beam’s top flange thickness,offers higher accuracy compared to traditional methods.These findings provide a theoretical foundation for the design and analysis of composite beams,with significant practical engineering value. 展开更多
关键词 Composite beam Elastic calculation Slip effect Theoretical study
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Soil remediation potential of illite and Na-MMT for As and H_(3)AsO_(3) adsorption:Insights of ab initio calculations
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作者 LIU Zi-rou XU Xin-hang +2 位作者 ARMAGHANI Danial Jahed SPAGNOLI Dino QI Chong-chong 《Journal of Central South University》 2025年第5期1822-1837,共16页
Understanding the adsorption behavior of heavy metals and metalloids on clay minerals is essential for remediating heavy metal-contaminated soils.The adsorption of heavy metals and metalloids on illite(001)and sodium ... Understanding the adsorption behavior of heavy metals and metalloids on clay minerals is essential for remediating heavy metal-contaminated soils.The adsorption of heavy metals and metalloids on illite(001)and sodium montmorillonite(Na-MMT)(001)surfaces was investigated using first-principles calculations in this study,especially As atom and H_(3)AsO_(3) molecule.The adsorption energies of the As atom were−1.94 eV on the illite(001)and−0.56 eV on the Na-MMT(001),whereas,the adsorption energies of the H_(3)AsO_(3) molecule were−1.40 eV on illite(001)and−1.01 eV on Na-MMT(001).The above results indicate that the adsorption was more energetically favorable on illite(001).Additionally,compared to Na-MMT(001),there were more significant interactions between the atoms/molecules on the illite(001).After As atom and H_(3)AsO_(3) molecule adsorption,the electrons were transferred from mineral surface atoms to the adsorbates on both illite(001)and Na-MMT(001)surfaces.Moreover,the adsorption of As atom on illite(001)and Na-MMT(001)surfaces were more energy favorable compared to Hg,Cd,and Cr atoms.Overall,this work provides new insights into the adsorption behavior of As atoms and As molecules on illite and Na-MMT.The results indicate that illite rich soils are more prone to contamination by arsenic compared to soils primarily composed of Na-MMT minerals. 展开更多
关键词 soil contamination clay minerals ADSORPTION ab initio calculation ARSENIC
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Hazard Analysis of Dam Corridor Cracks Based on Field Detection and Numerical Calculation
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作者 Jiacheng Li Liangkun Gong +3 位作者 Yuxiang Li Jialiang Qian Weiyu Wu Weiran Lu 《Journal of World Architecture》 2025年第1期32-39,共8页
The longitudinal cracks distributed along the dam axis in the corridor of a dam may have potential safety hazards.According to the detection results of crack depth and width and the analysis of monitoring data,a three... The longitudinal cracks distributed along the dam axis in the corridor of a dam may have potential safety hazards.According to the detection results of crack depth and width and the analysis of monitoring data,a three-dimensional finite element model is established for numerical simulation calculation and the influence of cracks on the safety of dam structure is analyzed from different aspects such as deformation,stress value,and distribution range.The calculation results show that the maximum principal tensile stress value and the location of the dam body are basically independent of the change of crack depth(within 1.0 m).Regarding local stress around the corridor,the high upstream water level causes cracks to deepen,resulting in an increase in the maximum tensile stress near the crack tip and an expansion of the tensile stress region. 展开更多
关键词 Gallery cracks Field test Finite element calculation Hazard analysis
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Effect of pharmacological pupil changes on intraocular lens power calculation:a systematic review and Metaanalysis
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作者 Si-Yi Tan Dian-Feng Liu +1 位作者 Wei-Qi Wang Bing-Song Wang 《International Journal of Ophthalmology(English edition)》 2025年第3期518-525,共8页
AIM:To investigate the effect of pharmacological pupil alterations on intraocular lens(IOL)power calculations.METHODS:A systematic review and Meta-analysis of studies published before December 2023 in the PubMed,Embas... AIM:To investigate the effect of pharmacological pupil alterations on intraocular lens(IOL)power calculations.METHODS:A systematic review and Meta-analysis of studies published before December 2023 in the PubMed,Embase,and Cochrane library databases on the accuracy of pharmacological pupil changes on IOL power calculation was performed.The primary outcome was the results of IOL power calculations before and after the use of medications.Subgroup analyses were performed based on participants’basic characteristics,such as age,axial length(AL),and whether miosis or mydriasis were used as classification criteria for further analyses.Each eligible study was evaluated for potential risk of bias by the AHRQ assessment scale.The study was registered on PROSPERO(CRD 42024497535).RESULTS:A total of 3062 eyes from 21 studies were eligible.There was no significant difference in the IOL power calculation before and after pharmacological pupil changes using any of the Hoffer Q(WMD=0.055,95%CI=-0.046–0.156;P=0.29),SRK/T(WMD=0.003,95%CI=-0.073–0.080;P=0.93),Haigis(WMD=-0.030,95%CI=-0.176–0.116;P=0.69),Holladay 2(WMD=-0.042,95%CI=-0.366–0.282;P=0.80),and Barrett Universal Ⅱ(WMD=0.033,95%CI=-0.061–0.127;P=0.49)formulas.On the measurement of parameters related to IOL power calculation,for either miosis or mydriasis AL(P=0.98 and 0.29,respectively),lens thickness(P=0.96 and 0.13,respectively),and mean keratometry(P=0.90 and 0.86,respectively)did not present significant differences,while anterior chamber depth(P=0.07 and<0.01,respectively)and white-to-white distance(P=0.01 and 0.04,respectively)changed significantly between the two measurements prior and posterior.At the same time,despite there being some participants with the difference between the before and after calculations greater than 0.5 diopter,there was no significant difference in the incidence rate between these formulas.CONCLUSION:There is no significant effect of pharmacological pupil changes on the IOL power calculation.It will considerably reduce the visit time burden for patients who require cataract surgery. 展开更多
关键词 ocular biometry intraocular lens power calculation CATARACT pharmacological pupil alterations
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