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Pharmacodynamic Study of Parallel Groups Comparing the Effect of Rivaroxaban 20 Mg (Laboratorios Leti, S.A.V.) vs Rivaroxaban 20 Mg (Bayer Laboratories) on Prothrombin Time
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作者 Elsy Rodriguez de Roa María Gonzalez Yibirin +1 位作者 David Rincón Matute Carolina Aguilera 《International Journal of Clinical Medicine》 CAS 2024年第3期123-133,共11页
Background: The prevalence of both atrial fibrillation (FA) and diabetes mellitus (DM) is increasing and they often occur together and constitute a high risk of thrombosis. Rivaroxaban is a Factor Xa inhibitor with a ... Background: The prevalence of both atrial fibrillation (FA) and diabetes mellitus (DM) is increasing and they often occur together and constitute a high risk of thrombosis. Rivaroxaban is a Factor Xa inhibitor with a rapid onset and disappearance of action after oral administration;it acts by inhibiting the active form of the coagulation factor. In order to reflect the effect of the action of Rivaroxaban, we used the prothrombin time (PT);however, it′s not the most accurate, but it is the one available in our community. Methods: This was a prospective, randomized, analyst-blinded, parallel group clinical study to verify the efficacy of Rivaroxaban Leti 20 mg (RL) (12 volunteers vs Rivaroxaban Bayer 20 mg (RB) (13 volunteers). The variables were determination of PT and Partial Thromboplastin Time (aPTT) at baseline and at 24, 48 and 72 hours after administering a daily dose of 20 mg for three days. The determination was carried out with the IDG method (Integrated Diagnostics Group Sanzay Corporation) with an International Sensitivity Index (ISI) of 1.17 PT and aPTT were taken before the first dose, and then, every day during the next 3 days, three hours after the ingestion of their daily dose at 7 am. Results: The 25 healthy volunteers were similar in age, BMI, and SBP/DBP level with a greater number of men in the Bayer group. The efficacy of rivaroxaban was similar in both groups with prolongation of PTT to the 2nd day of treatment with PT, and percentage changes from baseline (14.46 ± 0.97 for RB vs 14.17 ± 0.94 RL p: 0.45), PTT results and percentage changes from the base (RB: 34 ± 4.53 RL: 33.46 ± 2.82). The safety of rivaroxaban was good in both groups with no serious adverse events. The equivalence in the logarithmically transformed PT result (ln) on day two, Mean and CI (90%) 99.2 (94.4-104) and 100 (99.5-100.8);neither the means nor the 90% confidence intervals of the PT variable transformed logarithmically to ensure its normality, were far from the 80%-125% allowed for declaration of similarity. Conclusion: The test formulation Rivaroxaban Asarap<sup>?</sup> 20 mg, manufactured by Leti Laboratories, is interchangeable or bioequivalent in clinical and laboratory response to the reference formulation Xarelto<sup>?</sup> manufactured by Bayer Laboratories. 展开更多
关键词 Pharmacodynamic study RIVAROXABAN Clinical Trial PT APTT
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Ab initio nonadiabatic molecular dynamics study on spin–orbit coupling induced spin dynamics in ferromagnetic metals
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作者 朱万松 郑镇法 +1 位作者 郑奇靖 赵瑾 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第1期156-163,共8页
Understanding the photoexcitation induced spin dynamics in ferromagnetic metals is important for the design of photo-controlled ultrafast spintronic device.In this work,by the ab initio nonadiabatic molecular dynamics... Understanding the photoexcitation induced spin dynamics in ferromagnetic metals is important for the design of photo-controlled ultrafast spintronic device.In this work,by the ab initio nonadiabatic molecular dynamics simulation,we have studied the spin dynamics induced by spin–orbit coupling(SOC)in Co and Fe using both spin-diabatic and spin-adiabatic representations.In Co system,it is found that the Fermi surface(E_(F))is predominantly contributed by the spin-minority states.The SOC induced spin flip will occur for the photo-excited spin-majority electrons as they relax to the E_(F),and the spin-minority electrons tend to relax to the EFwith the same spin through the electron–phonon coupling(EPC).The reduction of spin-majority electrons and the increase of spin-minority electrons lead to demagnetization of Co within100 fs.By contrast,in Fe system,the E_(F) is dominated by the spin-majority states.In this case,the SOC induced spin flip occurs for the photo-excited spin-minority electrons,which leads to a magnetization enhancement.If we move the E_(F) of Fe to higher energy by 0.6eV,the E_(F) will be contributed by the spin-minority states and the demagnetization will be observed again.This work provides a new perspective for understanding the SOC induced spin dynamics mechanism in magnetic metal systems. 展开更多
关键词 nonadiabatic molecular dynamics spin dynamics spin–orbit coupling ferromagnetic metal
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Experimental and numerical study on dynamic mechanical behaviors of shale under true triaxial compression at high strain rate
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作者 Xiaoping Zhou Linyuan Han +1 位作者 Jing Bi Yundong Shou 《International Journal of Mining Science and Technology》 SCIE EI CAS CSCD 2024年第2期149-165,共17页
High-energy gas fracturing of shale is a novel,high efficacy and eco-friendly mining technique,which is a typical dynamic perturbing behavior.To effectively extract shale gas,it is important to understand the dynamic ... High-energy gas fracturing of shale is a novel,high efficacy and eco-friendly mining technique,which is a typical dynamic perturbing behavior.To effectively extract shale gas,it is important to understand the dynamic mechanical properties of shale.Dynamic experiments on shale subjected to true triaxial compression at different strain rates are first conducted in this research.The dynamic stress-strain curves,peak strain,peak stress and failure modes of shale are investigated.The results of the study indicate that the intermediate principal stress and the minor principal stress have the significant influence on the dynamic mechanical behaviors,although this effect decreases as the strain rate increases.The characteristics of compression-shear failure primarily occur in shale subjected to triaxial compression at high strain rates,which distinguishes it from the fragmentation characteristics observed in shale under dynamic uniaxial compression.Additionally,a numerical three-dimensional Split Hopkinson Pressure Bar(3D-SHPB),which is established by coupling PFC3D and FLAC3D methods,is validated to replicate the laboratory characteristics of shale.The dynamic mechanical characteristics of shale subjected to different confining stresses are systematically investigated by the coupling PFC3D and FLAC3D method.The numerical results are in good agreement with the experimental data. 展开更多
关键词 dynamic behaviors True triaxial compression High strain rates dynamic failure mechanism PFC3D-FLAC3D coupled method
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Electronic effects on radiation damage inα-iron:A molecular dynamics study
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作者 江林 李敏 +2 位作者 付宝勤 崔节超 侯氢 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第3期521-529,共9页
Iron(Fe)-based alloys,which have been widely used as structural materials in nuclear reactors,can significantly change their microstructure properties and macroscopic properties under high flux neutron irradiation dur... Iron(Fe)-based alloys,which have been widely used as structural materials in nuclear reactors,can significantly change their microstructure properties and macroscopic properties under high flux neutron irradiation during operation,thus,the problems associated with the safe operation of nuclear reactors have been put forward naturally.In this work,a molecular dynamics simulation approach combined with electronic effects is developed for investigating the primary radiation damage process inα-Fe.Specifically,the influence of electronic effects on the collision cascade in Fe is systematically evaluated based on two commonly used interatomic potentials for Fe.The simulation results reveal that both electronic stopping(ES)and electron-phonon coupling(EPC)can contribute to the decrease of the number of defects in the thermal spike phase.The application of ES reduces the number of residual defects after the cascade evolution,whereas EPC has a reverse effect.The introduction of electronic effects promotes the formation of the dispersive subcascade:ES significantly changes the geometry of the damaged region in the thermal spike phase,whereas EPC mainly reduces the extent of the damaged region.Furthermore,the incorporation of electronic effects effectively mitigates discrepancies in simulation outcomes when using different interatomic potentials. 展开更多
关键词 radiation damage electronic effects molecular dynamics simulation α-iron
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A comparative study on kinetics and dynamics of two dump truck lifting mechanisms using MATLAB simscape
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作者 Thong Duc Hong Minh Quang Pham +2 位作者 Son Cong Tran Lam Quang Tran Truong Thanh Nguyen 《Theoretical & Applied Mechanics Letters》 CAS CSCD 2024年第2期146-156,共11页
In this paper,two lifting mechanism models with opposing placements,which use the same hydraulic hoist model and have the same angle of 50°,have been developed.The mechanical and hydraulic simulation models are e... In this paper,two lifting mechanism models with opposing placements,which use the same hydraulic hoist model and have the same angle of 50°,have been developed.The mechanical and hydraulic simulation models are established using MATLAB Simscape to analyze their kinetics and dynamics in the lifting and holding stages.The simulation findings are compared to the analytical calculation results in the steady state,and both methods show good agreement.In the early lifting stage,Model 1 produces greater force and discharges goods in the container faster than Model 2.Meanwhile,Model 2 reaches a higher force and ejects goods from the container cleaner than its counterpart at the end lifting stage.The established simulation models can consider the effects of dynamic loads due to inertial moments and forces generated during the system operation.It is crucial in studying,designing,and optimizing the structure of hydraulic-mechanical systems. 展开更多
关键词 Dump truck Lifting mechanism HYDRAULIC MATLAB Simscape Kinetic dynamic analysis
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Molecular dynamics study of primary radiation damage in TiVTa concentrated solid-solution alloy
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作者 赵永鹏 豆艳坤 +4 位作者 贺新福 曹晗 王林枫 邓辉球 杨文 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第3期530-535,共6页
The primary radiation damage in pure V and TiVTa concentrated solid-solution alloy(CSA)was studied using a molecular dynamics method.We have performed displacement cascade simulations to explore the generation and evo... The primary radiation damage in pure V and TiVTa concentrated solid-solution alloy(CSA)was studied using a molecular dynamics method.We have performed displacement cascade simulations to explore the generation and evolution behavior of irradiation defects.The results demonstrate that the defect accumulation and agglomeration in TiVTa CSA are significantly suppressed compared to pure V.The peak value of Frenkel pairs during cascade collisions in TiVTa CSA is much higher than that in pure V due to the lower formation energy of point defects.Meanwhile,the longer lifetime of the thermal spike relaxation and slow energy dissipation capability of TiVTa CSA can facilitate the recombination of point defects.The defect agglomeration rate in TiVTa CSA is much lower due to the lower binding energy of interstitial clusters and reduced interstitial diffusivity.Furthermore,the occurrence probability of dislocation loops in TiVTa CSA is lower than that in pure V.The reduction in primary radiation damage may enhance the radiation resistance of TiVTa CSA,and the improved radiation tolerance is primarily attributed to the relaxation stage and long-term defect evolution rather than the ballistic stage.These results can provide fundamental insights into irradiation-induced defects evolution in refractory CSAs. 展开更多
关键词 concentrated solid-solution alloy primary radiation damage molecular dynamics simulation
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Flow Dynamics during the Hydrocarbon Exploitation for Prevention and Management of Water Venues in Oil Field: A Study Case of Crystal Field in Badila/Chad
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作者 Issakha Tidjani Djimet Huguette Christiane Emvoutou +1 位作者 Nicodème Djiedeu Jean-Pierre Nguenang 《International Journal of Geosciences》 CAS 2024年第5期433-448,共16页
The southern part of the Lake Chad basin is under the gas and oil petroleum industry due to its hydrocarbon potential for about twenty years. This project stands out as the main challenges of the hydrocarbon productio... The southern part of the Lake Chad basin is under the gas and oil petroleum industry due to its hydrocarbon potential for about twenty years. This project stands out as the main challenges of the hydrocarbon production and the management of fluxes particularly the groundwater venues. A comprehensive study is thus conducted to develop a dynamic and analytic model for diagnosing the production performances with a particular view on the management of groundwater venues. The three main concerned reservoirs subdivided on subunits evidence their proper characteristics. The porous media, their densities, the internal flows and the water injection techniques such as water flooding were thus adopted. The oil viscosity variability within the reservoirs creates different levels of mobility between water and oil, highlighting the challenges of water management. The material balance model and the behavior of the well analysis were taken in consideration within the identified aquifer, emphasizing the importance of keeping the pressure through injection. The control of water productions, the management of the reservoir, the well strategical position and the specific completions lead to the model functioning. In addition, the CO log and the Pulsed Neutron indicate their limitations as a result of the water salinity and the porosity of the aquifer. The management of groundwater venues at Badila requires various approaches throughout the lifetime of the Crystal field such as the data acquisition and remediation actions and prevention, under a permanent monitoring of the dynamic fluxes in the reservoirs. 展开更多
关键词 Groundwater Venues Analytic and dynamic Model Water Flooding Optimization of Production
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Study of the Relationship Between New Ionic Interaction Parameters and Salt Solubility in Electrolyte Solutions Based on Molecular Dynamics Simulation
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作者 SUN Wenting HU Yangdong +5 位作者 ZHENG Jiahuan SUN Qichao Chen Xia DING Jiakun ZHANG Weitao WU Lianying 《Journal of Ocean University of China》 CAS CSCD 2024年第2期467-476,共10页
Studying the relationship between ionic interactions and salt solubility in seawater has implications for seawater desalination and mineral extraction.In this paper,a new method of expressing ion-to-ion interaction is... Studying the relationship between ionic interactions and salt solubility in seawater has implications for seawater desalination and mineral extraction.In this paper,a new method of expressing ion-to-ion interaction is proposed by using molecular dynamics simulation,and the relationship between ion-to-ion interaction and salt solubility in a simulated seawater water-salt system is investigated.By analyzing the variation of distance and contact time between ions in an electrolyte solution,from both spatial and temporal perspectives,new parameters were proposed to describe the interaction between ions:interaction distance(ID),and interaction time ratio(ITR).The best correlation between characteristic time ratio and solubility was found for a molar ratio of salt-to-water of 10:100 with a correlation coefficient of 0.96.For the same salt,a positive correlation was found between CTR and the molar ratio of salt and water.For type 1-1,type 2-1,type 1-2,and type 2-2 salts,the correlation coefficients between CTR and solubility were 0.93,0.96,0.92,and 0.98 for a salt-to-water molar ratio of 10:100,respectively.The solubility of multiple salts was predicted by simulations and compared with experimental values,yielding an average relative deviation of 12.4%.The new ion-interaction parameters offer significant advantages in describing strongly correlated and strongly hydrated electrolyte solutions. 展开更多
关键词 molecular dynamics simulation interaction distance interaction time rate electrolyte aqueous solutions SOLUBILITY
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Subpicosecond laser ablation behavior of a magnesium target and crater evolution:Molecular dynamics study and experimental validation
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作者 江国龙 周霞 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第7期613-622,共10页
The micro-ablation processes and morphological evolution of ablative craters on single-crystal magnesium under subpicosecond laser irradiation are investigated using molecular dynamics(MD) simulations and experiments.... The micro-ablation processes and morphological evolution of ablative craters on single-crystal magnesium under subpicosecond laser irradiation are investigated using molecular dynamics(MD) simulations and experiments.The simulation results exhibit that the main failure mode of single-crystal Mg film irradiated by a low fluence and long pulse width laser is the ejection of surface atoms,which has laser-induced high stress.However,under high fluence and short pulse width laser irradiation,the main damage mechanism is nucleation fracture caused by stress wave reflection and superposition at the bottom of the film.In addition,Mg[0001] has higher pressure sensitivity and is more prone to ablation than Mg[0001].The evolution equation of crater depth is established using multi-pulse laser ablation simulation and verified by experiments.The results show that,under multiple pulsed laser irradiation,not only does the crater depth increase linearly with the pulse number,but also the quadratic term and constant term of the fitted crater profile curve increase linearly. 展开更多
关键词 laser-material interaction molecular dynamics(MD)simulation ablation crater morphology MAGNESIUM
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Computational Fluid Dynamics Approach for Predicting Pipeline Response to Various Blast Scenarios: A Numerical Modeling Study
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作者 Farman Saifi Mohd Javaid +1 位作者 Abid Haleem S.M.Anas 《Computer Modeling in Engineering & Sciences》 SCIE EI 2024年第9期2747-2777,共31页
Recent industrial explosions globally have intensified the focus in mechanical engineering on designing infras-tructure systems and networks capable of withstanding blast loading.Initially centered on high-profile fac... Recent industrial explosions globally have intensified the focus in mechanical engineering on designing infras-tructure systems and networks capable of withstanding blast loading.Initially centered on high-profile facilities such as embassies and petrochemical plants,this concern now extends to a wider array of infrastructures and facilities.Engineers and scholars increasingly prioritize structural safety against explosions,particularly to prevent disproportionate collapse and damage to nearby structures.Urbanization has further amplified the reliance on oil and gas pipelines,making them vital for urban life and prime targets for terrorist activities.Consequently,there is a growing imperative for computational engineering solutions to tackle blast loading on pipelines and mitigate associated risks to avert disasters.In this study,an empty pipe model was successfully validated under contact blast conditions using Abaqus software,a powerful tool in mechanical engineering for simulating blast effects on buried pipelines.Employing a Eulerian-Lagrangian computational fluid dynamics approach,the investigation extended to above-surface and below-surface blasts at standoff distances of 25 and 50 mm.Material descriptions in the numerical model relied on Abaqus’default mechanical models.Comparative analysis revealed varying pipe performance,with deformation decreasing as explosion-to-pipe distance increased.The explosion’s location relative to the pipe surface notably influenced deformation levels,a key finding highlighted in the study.Moreover,quantitative findings indicated varying ratios of plastic dissipation energy(PDE)for different blast scenarios compared to the contact blast(P0).Specifically,P1(25 mm subsurface blast)and P2(50 mm subsurface blast)showed approximately 24.07%and 14.77%of P0’s PDE,respectively,while P3(25 mm above-surface blast)and P4(50 mm above-surface blast)exhibited lower PDE values,accounting for about 18.08%and 9.67%of P0’s PDE,respectively.Utilising energy-absorbing materials such as thin coatings of ultra-high-strength concrete,metallic foams,carbon fiber-reinforced polymer wraps,and others on the pipeline to effectively mitigate blast damage is recommended.This research contributes to the advancement of mechanical engineering by providing insights and solutions crucial for enhancing the resilience and safety of underground pipelines in the face of blast events. 展开更多
关键词 Blast loading computational fluid dynamics computer modeling pipe networks response prediction structural safety
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Revealing Al-O/Al-F reaction dynamic effects on the combustion of aluminum nanoparticles in oxygen/fluorine containing environments:A reactive molecular dynamics study meshing together experimental validation
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作者 Gang Li Chuande Zhao +2 位作者 Qian Yu Fang Yang Jie Chen 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2024年第4期313-327,共15页
Improving the energy conversion efficiency in metallic fuel(e.g.,Al)combustion is always desirable but challenging,which often involves redox reactions of aluminum(Al)with various mixed oxidizing environments.For inst... Improving the energy conversion efficiency in metallic fuel(e.g.,Al)combustion is always desirable but challenging,which often involves redox reactions of aluminum(Al)with various mixed oxidizing environments.For instance,Al-O reaction is the most common pathway to release limited energy while Al-F reaction has received much attentions to enhance Al combustion efficiency.However,microscopic understanding of the Al-O/Al-F reaction dynamics remains unsolved,which is fundamentally necessary to further improve Al combustion efficiency.In this work,for the first time,Al-O/Al-F reaction dynamic effects on the combustion of aluminum nanoparticles(n-Al)in oxygen/fluorine containing environments have been revealed via reactive molecular dynamics(RMD)simulations meshing together combustion experiments.Three RMD simulation systems of Al core/O_(2)/HF,n-Al/O_(2)/HF,and n-Al/O_(2)/CF4 with oxygen percentage ranging from 0%to 100%have been performed.The n-Al combustion in mixed O_(2)/CF_4 environments have been conducted by constant volume combustion experiments.RMD results show that Al-O reaction exhibits kinetic benefits while Al-F reaction owns thermodynamic benefits for n-Al combustion.In n-Al/O_(2)/HF,Al-O reaction gives faster energy release rate than Al-F reaction(1.1 times).The optimal energy release efficiency can be achieved with suitable oxygen percentage of 10%and 50%for n-Al/O_(2)/HF and n-Al/O_(2)/CF_4,respectively.In combustion experiments,90%of oxygen percentage can optimally enhance the peak pressure,pressurization rate and combustion heat.Importantly,Al-O reaction prefers to occur on the surface regions while Al-F reaction prefers to proceed in the interior regions of n-Al,confirming the kinetic/thermodynamic benefits of Al-O/Al-F reactions.The synergistic effect of Al-O/Al-F reaction for greatly enhancing n-Al combustion efficiency is demonstrated at atomicscale,which is beneficial for optimizing the combustion performance of metallic fuel. 展开更多
关键词 Al-O/Al—F reaction Kinetic benefits Thermodynamic benefits Molecular dynamics COMBUSTION
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Numerical Study on the Aerodynamic and Fluid−Structure Interaction of An NREL-5MW Wind Turbine
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作者 ZHAO Mi YU Wan-li +2 位作者 WANG Pi-guang QU Yang DU Xiu-li 《China Ocean Engineering》 SCIE EI CSCD 2024年第3期363-378,共16页
A 5-MW wind turbine has been modeled and analyzed for fluid-structure interaction and aerodynamic performance.In this study, a full-scale model of a 5-MW wind turbine is first developed based on a computational fluid ... A 5-MW wind turbine has been modeled and analyzed for fluid-structure interaction and aerodynamic performance.In this study, a full-scale model of a 5-MW wind turbine is first developed based on a computational fluid dynamics(CFD) approach, in which the unsteady, noncompressible Reynolds Averaged Navier-Stokes(RANS) method is used. The main focus of the study is to analyze the tower shadow effect on the aerodynamic performance of the wind turbine under different inlet flow conditions. Subsequently, the finite element model is established by considering fluid/structure interactions to study the structural stress, displacement, strain distributions and flow field information of the structure under the uniform wind speed. Finally, the fluid-structure interaction model is established by considering turbulent wind and the tower shadow effect. The variation rules of the dynamic response of the one-way and two-way fluid-structure interaction(FSI) models under different wind speeds are analyzed, and the numerical calculation results are compared with those of the centralized mass model. The results show that the tower shadow effect and structural deformation are the main factors affecting the aerodynamic load fluctuation of the wind turbine, which in turn affects the aerodynamic performance and structural stability of the blades. The structural dynamic response of the coupled model shows significant similarity, while the structural displacement response of the former exhibits less fluctuation compared with the conventional centralized mass model. The one-way fluid-structure interaction(FSI)model shows a higher frequency of stress-strain and displacement oscillations on the blade compared with the two-way FSI model. 展开更多
关键词 computational fluid dynamics methods(CFD) tower shadow effect aerodynamic performance fluidstructure interaction space flow field
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Network pharmacology and molecular dynamics study of the effect of the Astragalus-Coptis drug pair on diabetic kidney disease
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作者 Mo-Yan Zhang Shu-Qin Zheng 《World Journal of Diabetes》 SCIE 2024年第7期1562-1588,共27页
BACKGROUND Diabetic kidney disease(DKD)is the primary cause of end-stage renal disease.The Astragalus-Coptis drug pair is frequently employed in the management of DKD.However,the precise molecular mechanism underlying... BACKGROUND Diabetic kidney disease(DKD)is the primary cause of end-stage renal disease.The Astragalus-Coptis drug pair is frequently employed in the management of DKD.However,the precise molecular mechanism underlying its therapeutic effect remains elusive.AIM To investigate the synergistic effects of multiple active ingredients in the Astragalus-Coptis drug pair on DKD through multiple targets and pathways.METHODS The ingredients of the Astragalus-Coptis drug pair were collected and screened using the TCMSP database and the SwissADME platform.The targets were predicted using the SwissTargetPrediction database,while the DKD differential gene expression analysis was obtained from the Gene Expression Omnibus database.DKD targets were acquired from the GeneCards,Online Mendelian Inheritance in Man database,and DisGeNET databases,with common targets identified through the Venny platform.The protein-protein interaction network and the“disease-active ingredient-target”network of the common targets were constructed utilizing the STRING database and Cytoscape software,followed by the analysis of the interaction relationships and further screening of key targets and core active ingredients.Gene Ontology(GO)function and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichments were performed using the DAVID database.The tissue and organ distributions of key targets were evaluated.PyMOL and AutoDock software validate the molecular docking between the core ingredients and key targets.Finally,molecular dynamics(MD)simulations were conducted to simulate the optimal complex formed by interactions between core ingredients and key target proteins.RESULTS A total of 27 active ingredients and 512 potential targets of the Astragalus-Coptis drug pair were identified.There were 273 common targets between DKD and the Astragalus-Coptis drug pair.Through protein-protein interaction network topology analysis,we identified 9 core active ingredients and 10 key targets.GO and KEGG pathway enrichment analyses revealed that Astragalus-Coptis drug pair treatment for DKD involves various biological processes,including protein phosphorylation,negative regulation of apoptosis,inflammatory response,and endoplasmic reticulum unfolded protein response.These pathways are mainly associated with the advanced glycation end products(AGE)-receptor for AGE products signaling pathway in diabetic complications,as well as the Lipid and atherosclerosis.Molecular docking and MD simulations demonstrated high affinity and stability between the core active ingredients and key targets.Notably,the quercetin-AKT serine/threonine kinase 1(AKT1)and quercetin-tumor necrosis factor(TNF)protein complexes exhibited exceptional stability.CONCLUSION This study demonstrated that DKD treatment with the Astragalus-Coptis drug pair involves multiple ingredients,targets,and signaling pathways.We propose a novel approach for investigating the molecular mechanism underlying the therapeutic effects of the Astragalus-Coptis drug pair on DKD.Furthermore,we suggest that quercetin is the most potent active ingredient and specifically targets AKT1 and TNF,providing a theoretical foundation for further exploration of pharmacologically active ingredients and elucidating their molecular mechanisms in DKD treatment. 展开更多
关键词 Astragalus membranaceus Coptis chinensis Franch Diabetic kidney disease Network pharmacology Molecular docking Molecular dynamics simulation
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Study on Ecological Change Remote Sensing Monitoring Method Based on Elman Dynamic Recurrent Neural Network
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作者 Zhen Chen Yiyang Zheng 《Journal of Geoscience and Environment Protection》 2024年第4期31-44,共14页
In this paper, Hailin City of Heilongjiang Province, China is taken as the research area. As an important city in Heilongjiang Province, China, the sustainable development of its ecological environment is related to t... In this paper, Hailin City of Heilongjiang Province, China is taken as the research area. As an important city in Heilongjiang Province, China, the sustainable development of its ecological environment is related to the opening up, economic prosperity and social stability of Northeast China. In this paper, the remote sensing ecological index (RSEI) of Hailin City in recent 20 years was calculated by using Landsat 5/8/9 series satellite images, and the temporal and spatial changes of the ecological environment in Hailin City were further analyzed and the influencing factors were discussed. From 2003 to 2023, the mean value of RSEI in Hailin City decreased and increased, and the ecological environment decreased slightly as a whole. RSEI declined most significantly from 2003 to 2008, and it increased from 2008 to 2013, decreased from 2013 to 2018, and increased from 2018 to 2023 again, with higher RSEI value in the south and lower RSEI value in the northwest. It is suggested to appropriately increase vegetation coverage in the northwest to improve ecological quality. As a result, the predicted value of Elman dynamic recurrent neural network model is consistent with the change trend of the mean value, and the prediction error converges quickly, which can accurately predict the ecological environment quality in the future study area. 展开更多
关键词 Remote Sensing Ecological Index Long Time Series Space-Time Change Elman dynamic Recurrent Neural Network
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Comprehensive study of the ultrafast photoexcited carrier dynamics in Sb_(2)Te_(3)–GeTe superlattices
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作者 叶之江 金钻明 +7 位作者 蒋叶昕 卢琦 贾梦辉 钱冬 黄夏敏 李舟 彭滟 朱亦鸣 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第7期381-387,共7页
Chalcogenide superlattices Sb_(2)Te_(3)-GeTe is a candidate for interfacial phase-change memory(iPCM) data storage devices.By employing terahertz emission spectroscopy and the transient reflectance spectroscopy togeth... Chalcogenide superlattices Sb_(2)Te_(3)-GeTe is a candidate for interfacial phase-change memory(iPCM) data storage devices.By employing terahertz emission spectroscopy and the transient reflectance spectroscopy together,we investigate the ultrafast photoexcited carrier dynamics and current transients in Sb_(2)Te_(3)-GeTe superlattices.Sample orientation and excitation polarization dependences of the THz emission confirm that ultrafast thermo-electric,shift and injection currents contribute to the THz generation in Sb_(2)Te_(3)-GeTe superlattices.By decreasing the thickness and increasing the number of GeTe and Sb_(2)Te_(3) layer,the interlayer coupling can be enhanced,which significantly reduces the contribution from circular photo-galvanic effect(CPGE).A photo-induced bleaching in the transient reflectance spectroscopy probed in the range of~1100 nm to~1400 nm further demonstrates a gapped state resulting from the interlayer coupling.These demonstrates play an important role in the development of iPCM-based high-speed optoelectronic devices. 展开更多
关键词 Sb_(2)Te_(3)/GeTe superlattices ultrafast carrier dynamics interfacial phase change memory THz emission spectroscopy transient reflectance spectroscopy
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Anti-sintering behavior and combustion process of aluminum nano particles coated with PTFE:A molecular dynamics study 被引量:3
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作者 Jun-peng Liu Hao-rui Zhang Qi-Long Yan 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2023年第6期46-57,共12页
The characteristic of easy sintering of aluminum nanoparticle(ANP)limits its application in solid propellants.Coating ANP with fluoropolymer could effectively improve its combustion performance.To find out how the coa... The characteristic of easy sintering of aluminum nanoparticle(ANP)limits its application in solid propellants.Coating ANP with fluoropolymer could effectively improve its combustion performance.To find out how the coating layer inhibits sintering and promotes complete combustion of particles from an atomic view,a comparative study has been done for bare ANP and PTFE coated ANP by using reactive molecular dynamics simulations.The sintering process is quantified by shrinkage ratio and gyration radius.Our results show that,at the same heating rate and combustion temperatures,bare ANPs are sintered together after the temperature exceeds the melting point of aluminum but the decomposition of PTFE coating layer pushes particles away and increases reaction surface area by producing small Al-F clusters.The sintering of ANPs which are heated in PTFE is alleviated compared with particles heated in oxygen,but particles still sinter together due to the lack of intimate contact between PTFE and alumina surface.The effect of temperature on the combustion of PTFE coated ANPs is also studied from 1000 to3500 K.The number density analysis shows the particles will not be sintered at any temperature.Aluminum fluoride prefers diffusing to the external space and the remained particles are mainly composed of Al,C and O.Fast ignition simulations are performed by adopting micro canonical ensemble.With the expansion of aluminum core and the melting of alumina shell,bare ANPs are sintered into a liquid particle directly.For PTFE coated ANPs,the volatilization of gaseous aluminum fluoride products continually endows particles opposite momentum. 展开更多
关键词 Aluminum nanoparticle SINTERING Combustion Molecular dynamics simulation
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Sensitivity of seismic attenuation and dispersion to dynamic elastic interactions of connected fractures: Quasi-static finite element modeling study 被引量:2
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作者 Yan-Xiao He Wen-Tao He +8 位作者 Meng-Fan Zhang Jia-Liang Zhang Wei-Hua Liu Xiao-Yi Ma Gen-Yang Tang Shang-Xu Wang Guo-Fa Li Jun-Zhou Liu Xiang-Long Song 《Petroleum Science》 SCIE EI CAS CSCD 2023年第1期177-198,共22页
Prediction of seismic attenuation and dispersion that are inherently sensitive to hydraulic and elastic properties of the medium of interest in the presence of mesoscopic fractures and pores,is of great interest in th... Prediction of seismic attenuation and dispersion that are inherently sensitive to hydraulic and elastic properties of the medium of interest in the presence of mesoscopic fractures and pores,is of great interest in the characterization of fractured formations.This has been very difficult,however,considering that stress interactions between fractures and pores,related to their spatial distributions,tend to play a crucial role on affecting overall dynamic elastic properties that are largely unexplored.We thus choose to quantitatively investigate frequency-dependent P-wave characteristics in fractured porous rocks at the scale of a representative sample using a numerical scale-up procedure via performing finite element modelling.Based on 2-D numerical quasi-static experiments,effects of fracture and fluid properties on energy dissipation in response to wave-induced fluid flow at the mesoscopic scale are quantified via solving Biot's equations of consolidation.We show that numerical results are sensitive to some key characteristics of probed synthetic rocks containing unconnected and connected fractures,demonstrating that connectivity,aperture and inclination of fractures as well as fracture infills exhibit strong impacts on the two manifestations of WIFF mechanisms in the connected scenario,and on resulting total wave attenuation and phase velocity.This,in turn,illustrates the importance of these two WIFF mechanisms in fractured rocks and thus,a deeper understanding of them may eventually allow for a better characterization of fracture systems using seismic methods.Moreover,this presented work combines rock physics predictions with seismic numerical simulations in frequency domain to illustrate the sensitivity of seismic signatures on the monitoring of an idealized geologic CO_(2) sequestration in fractured reservoirs.The simulation demonstrates that these two WIFF mechanisms can strongly modify seismic records and hence,indicating that incorporating the two energy dissipation mechanisms in the geophysical interpretation can potentially improving the monitoring and surveying of fluid variations in fractured formations. 展开更多
关键词 Attenuation and dispersion Rock physics Fractured media Frequency dependence Numerical study
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Experimental and theoretical study on the dynamic effective stress of loaded gassy coal during gas release 被引量:2
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作者 Bing Zhang Hanpeng Wang +2 位作者 Peng Wang Guofeng Yu Shitan Gu 《International Journal of Mining Science and Technology》 SCIE EI CAS CSCD 2023年第3期339-349,共11页
In the process of mining coalbed methane(CBM),an unsteady state often arises due to the rapid extraction,release and pressure relief of CBM.In this case,the effective stress of coal changes dynamically,affecting the s... In the process of mining coalbed methane(CBM),an unsteady state often arises due to the rapid extraction,release and pressure relief of CBM.In this case,the effective stress of coal changes dynamically,affecting the stability of the gassy coal seam.In this paper,gas release tests of gassy coal under conventional triaxial compression were performed,and the dynamic effective stress(DES)during gas release was obtained indirectly based on a constitutive equation and deformation of coal.The results show that the maximum increases in DES caused by the release of free gas and adsorbed gas under the stress of 1.1 MPa were 0.811 and 5.418 MPa,respectively,which seriously affected the stress state of the coal.During the gas release,the free gas pressure and the adsorbed gas volume were the parameters that directly affected the DES and showed a positive linear relationship with the DES with an intercept of zero.The DES of the coal sample increased exponentially with time,which was determined by the contents of free and adsorbed gas.Based on the experimental results and theoretical analysis,an effective stress model was obtained for loaded gassy coal during gas release.The results of verification indicated accuracy greater than 99%. 展开更多
关键词 Gassy coal dynamic effective stress Gas release Gas-solid coupling Mathematical model
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Experimental study of the dynamic mechanical responses and failure characteristics of coal under true triaxial confinements 被引量:2
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作者 Zhanguo Ma Pengfei Yan +3 位作者 Shixing Cheng Peng Gong Fuzhou Qi Jianguo Wang 《International Journal of Mining Science and Technology》 SCIE EI CAS CSCD 2023年第6期761-772,共12页
Investigations on the dynamic mechanical properties and failure mechanisms of coal under in-situ stress is essential for the prevention of dynamic disasters in deep coal mines.Thus,a modified true triaxial Hopkinson b... Investigations on the dynamic mechanical properties and failure mechanisms of coal under in-situ stress is essential for the prevention of dynamic disasters in deep coal mines.Thus,a modified true triaxial Hopkinson bar was employed to explore the dynamic mechanical behaviors of coal at different confining pressures(0–20 MPa)and strain rates(40–220 s^(-1)).The results show that the dynamic peak stress is positively correlated with lateral static pre-stressσy andσz,but negatively correlated with axial static prestressσx.At approximate strain rates,increasing the lateral static pre-stress facilitates increasing the dynamic peak stress,but the minimum lateral static pre-stress is the primary factor limiting a significant increase in dynamic peak stress of coal.Furthermore,the dynamic differential stress is linearly related to the logarithm of strain rate,and the peak strain varies linearly with strain rate.However,there is no significant correlation between confining pressure and peak strain.Moreover,X-ray CT images and photographic fracture observations of coal samples show the failure patterns under uniaxial and triaxial conditions are splitting failure and shear failure,respectively.The device provides a viable approach for fully comprehending the dynamic mechanical behaviors of rock-like material in complex stress conditions. 展开更多
关键词 COAL True triaxial SHPB test dynamic mechanical properties Failure characteristics
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Comparison Study and Forensic Analysis between Experiment and Coupled Dynamics Simulation for Submerged Floating Tunnel Segment with Free Ends under Wave Excitations
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作者 Woo Chul Chung Chungkuk Jin +1 位作者 Moo Hyun Kim Ju-young Hwang 《Computer Modeling in Engineering & Sciences》 SCIE EI 2023年第10期155-174,共20页
This paper presents dynamic-behavior comparisons and related forensic analyses of a submerged floating tunnel(SFT)between numerical simulation and physical experiment under regular and irregular waves.The experiments ... This paper presents dynamic-behavior comparisons and related forensic analyses of a submerged floating tunnel(SFT)between numerical simulation and physical experiment under regular and irregular waves.The experiments are conducted in the 3Dwave tank with 1:33.3 scale,and the corresponding coupled time-domain simulation tool is devised for comparison.The entire SFT systemconsists of a long concrete tunnel and 12 tubular aluminummooring lines.Two numerical simulation models,the Cummins equation with 3D potential theory including second-order wave-body interaction effects and the much simpler Morison-equation-based formula with the lumped-massbased line model,are designed and compared.Forensic analyses for mooring-line adjustments in the simulation are carried out in view of the best representation of the physical system.After that,the measured pre-tension distribution and systemstiffness of twelvemooring lines arewell reproduced in the numericalmodel.Subsequently,the dynamic responses and mooring tensions of the SFT are compared under regular and irregular waves.The measured and simulated results coincide reasonably well for both regular-and irregular-wave conditions. 展开更多
关键词 Submerged floating tunnel comparative study forensic analysis mooring-line modeling dynamic response mooring tension
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