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One-step conversion of methane and formaldehyde to ethanol over SA-FLP dual-active-site catalysts: A DFT study

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Chinese Chemical Letters 2024年第4期35卷 544-548页

作者： Tao Ban Xi-Yang Yu hai-Kuo tian Zheng-qing Huang Chun-Ran Chang Shaanxi Key Laboratory of Energy Chemical Process Intensification School of Chemical Engineering and TechnologyXi'an Jiaotong UniversityXi'an 710049China Shaanxi Key Laboratory of Low Metamorphic Coal Clean Utilization School of Chemistry and Chemical EngineeringYulin UniversityYulin 719000China

One-step conversion of methane and formaldehyde into ethanol is a 100% atom-efficient process for carbon resources utilization and environment protection but still faces eminent challenges due to the lacking of efficient catalysts. Therefore, developing active and stable catalysts is crucial for the co-conversion of methane and formaldehyde. Herein, twelve kinds of “Single-Atom”-“Frustrated Lewis Pair”(SA-FLP)dual-active-site catalysts are designed for the direct conversion of methane and formaldehyde to ethanol based on density functional theory(DFT) calculations and microkinetic simulations. The results show that the SA-FLP dual active sites can simultaneously activate methane at the SA site and activate formaldehyde at the FLP site. Among the twelve designed SA-FLP catalysts, Fe1-FLP shows the best performance in the co-conversion of methane and formaldehyde to ethanol with the rate-determining barrier of 1.15 e V.Ethanol is proved as the main product with the turnover frequency of 1.32 × 10^(-4)s^(-1)at 573 K and 3 bar.This work provides a universal strategy to design dual active sites on metal oxide materials and offers new insights into the effective conversion of methane and formaldehyde to desired C_(2) chemicals.

关键词： Single-atom Frustrated Lewis pairs Methane conversion Dual active sites Ethanol synthesis

Mediating role of social support in dysphoria,despondency,and quality of life in patients undergoing maintenance hemodialysis

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World Journal of Psychiatry 2024年第3期14卷 409-420页

作者： Xiang Zhou Hong Jiang Yi-Peng Zhou Xiao-Yu Wang hai-Yan Ren Xue-Fei tian qing-qing Zhang Department of Nephrology People’s Hospital of Xinjiang Uygur Autonomous RegionXinjiang Clinical Research Center for Kidney DiseaseUrumqi 832000Xinjiang Uygur Autonomous RegionChina Department of Endocrinology and Metabolism People’s Hospital of Xinjiang Uygur Autonomous RegionUrumqi 832000Xinjiang Uygur Autonomous RegionChina Section of Nephrology Department of Internal MedicineYale University School of MedicineNew HavenCT 06510United States

BACKGROUND Dysphoria and despondency are prevalent psychological issues in patients undergoing Maintenance Hemodialysis(MHD)that significantly affect their quality of life(QOL).High levels of social support can significantly improve the physical and mental well-being of patients undergoing MHD.Currently,there is limited research on how social support mediates the relationship between dysphoria,despondency,and overall QOL in patients undergoing MHD.It is imperative to investigate this mediating effect to mitigate dysphoria and despondency in patients undergoing MHD,ultimately enhancing their overall QOL.AIM To investigate the mediating role of social support in relationships between dysphoria,despondency,and QOL among patients undergoing MHD.METHODS Participants comprised 289 patients undergoing MHD,who were selected using a random sampling approach.The Social Support Rating Scale,Self-Rating Anxiety Scale,Self-Rating Depression Scale,and QOL Scale were administered.Correlation analysis was performed to examine the associations between social support,dysphoria,despondency,and QOL in patients undergoing MHD.To assess the mediating impact of social support on dysphoria,despondency,and QOL in patients undergoing MHD,a bootstrap method was applied.RESULTS Significant correlations among social support,dysphoria,despondency,and quality in patients undergoing MHD were observed(all P<0.01).Dysphoria and despondency negatively correlated with social support and QOL(P<0.01).Dysphoria and despondency had negative predictive impacts on the QOL of patients undergoing MHD(P<0.05).The direct effect of dysphoria on QOL was statistically significant(P<0.05).Social support mediated the relationship between dysphoria and QOL,and this mediating effect was significant(P<0.05).Similarly,the direct effect of despondency on QOL was significant(P<0.05).Moreover,social support played a mediating role between despondency and QOL,with a significant mediating effect(P<0.05).CONCLUSION These findings suggest that social support plays a signifi

关键词： Maintenance hemodialysis Social support Dysphoria Despondency Quality of life Mediating effect

Cascade electrolysis and thermocatalysis: a reliable system for upgrading C1 to C4 hydrocarbons

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Rare Metals 2024年第1期43卷 410-412页

作者： Chao-Yue Sun Wen Li hai-qing Wang Institute for Advanced Interdisciplinary Research(iAIR) College of Chemistry and Chemical EngineeringUniversity of JinanJinan 250022China

The carbon cycle is important for maintaining a stable climate and carbon balance on Earth. Renewable-electricitydriven upcycling of carbon dioxide (CO_(2)) into value-added multi-carbon molecules is a potentially sus... 详细信息

关键词： cycling hydrocarbons enable

Isogeometric Analysis for the Arbitrary AFG Microbeam with Two-Phase Nonlocal Stress-Driven Model

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Acta Mechanica Solida Sinica 2024年第2期37卷 341-360页

作者： Pei-Liang Bian Zhaowei Liu hai qing tiantang Yu Department of Engineering Mechanics Hohai UniversityNanjing211100China State Key Laboratory of Mechanics and Control of Mechanical Structures Nanjing University of Aeronautics and AstronauticsNanjing210016China

Scale effects play critical roles in the mechanical responses of microstructures.An isogeometric analysis was developed here to investigate the mechanical responses of an axially functionally graded microbeam.The Euler–Bernoulli beam model was utilized,and size effects in the structure were modeled with a stress-driven two-phase local/nonlocal integral constitution.The governing equation of microstructures was given in an equivalent differential form with two additional constitutive boundary conditions.The framework was verified and utilized to analyze the microbeam’s static and dynamic mechanical responses.The present work showed great potential for modeling various types of functionally graded microstructures.

关键词： Isogeometric analysis Size effect Functionally graded material Nonlocal theory Euler-Bernoulli beam

Detection of astrophysical gravitational wave sources by tianQin and LISA

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Science China(Physics,Mechanics & Astronomy) 2024年第5期67卷 123-163页

作者： Alejandro Torres-Orjuela Shun-Jia Huang Zheng-Cheng Liang Shuai Liu hai-tian Wang Chang-qing Ye Yi-Ming Hu Jianwei Mei MOE Key Laboratory of tian Qin Mission Tian Qin Research Center for Gravitational PhysicsSchool of Physics and AstronomyFrontiers Science Center for Tian QinGravitational Wave Research Center of CNSASun Yat-Sen University(Zhuhai Campus)Zhuhai 519082China Department of Physics The University of Hong KongHong Kong 999077China Kavli Institute for Astronomy and Astrophysics Peking UniversityBeijing100871China

tianQin and LISA are space-based laser interferometer gravitational wave(GW)detectors planned to be launched in the mid-2030s.Both detectors will detect low-frequency GWs around 10^(-2)Hz;however,tian Qin is more sensitive to frequencies above this common sweet-spot while LISA is more sensitive to frequencies below 10^(-2)Hz.Therefore,tian Qin and LISA will be able to detect the same sources but with different accuracy depending on the source and its parameters.We consider some of the most important astrophysical sources—massive black hole binaries,stellar-mass black hole binaries,double white dwarfs,extreme mass ratio inspirals,light and heavy intermediate mass ratio inspirals,as well as the stochastic gravitational background of astrophysical origin—that tian Qin and LISA will be able to detect.For each of these sources,we analyze how far they can be detected(detection distance)and how well their parameters can be measured(detection accuracy)using a Fisher Matrix analysis.We compare the results obtained by the three detection scenarios(tian Qin alone,LISA alone,and joint detection by LISA and tian Qin)highlighting the gains from joint detection as well as the contribution of tian Qin and LISA to a combined study of astrophysical sources.In particular,we consider the different orientations,lifetimes,and duty cycles of the two detectors to explore how they can give a more complete picture when working together.

关键词： wave extreme stochastic

Acupuncture for obesity and related diseases:Insight for regulating neural circuit

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Journal of Integrative Medicine 2024年第2期22卷 93-101页

作者： Lin-yan Jiang Jun tian Ya-nan Yang Shao-hui Jia qing Shu Department of Rehabilitation Medicine Zhongnan HospitalWuhan UniversityWuhan 430071Hubei ProvinceChina School of Sports Medicine Wuhan Sports UniversityWuhan 430079Hubei ProvinceChina Department of Traditional Chinese Medicine China Resources&Wu Gang General HospitalWuhan 430080Hubei ProvinceChina

Obesity is defined as abnormal or excessive fat accumulation that may impair health.Obesity is associated with numerous pathological changes including insulin resistance,fatty liver,hyperlipidemias,and other obesity-related diseases.These comorbidities comprise a significant public health threat.Existing anti-obesity drugs have been limited by side effects that include depression,suicidal thoughts,cardiovascular complications and stroke.Acupuncture treatment has been shown to be effective for treating obesity and obesity-related conditions,while avoiding side effects.However,the mechanisms of acupuncture in treating obesity-related diseases,especially its effect on neural circuits,are not well understood.A growing body of research has studied acupuncture’s effects on the endocrine system and other mechanisms related to the regulation of neural circuits.In this article,recent research that was relevant to the use of acupuncture to treat obesity and obesity-related diseases through the neuroendocrine system,as well as some neural circuits involved,was summarized.Based on this,acupuncture’s potential ability to regulate neural circuits and its mechanisms of action in the endocrine system were reviewed,leading to a deeper mechanistic understanding of acupuncture’s effects and providing insight and direction for future research about obesity.

关键词： Obesity Acupuncture Neural circuit Appetite Energy metabolism

Phase transfer-based high-efficiency recycling of precious metal electrocatalysts

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Green Chemical Engineering 2024年第1期5卷 68-74页

作者： qing Zeng Shaonan tian Yu Zhang Hui Liu Dong Chen Xinlong tian Chaoquan Hu Jun Yang State Key Laboratory of Multiphase Complex Systems Institute of Process EngineeringChinese Academy of SciencesBeijing100190China State Key Laboratory of Marine Resource Utilization in South China Sea Hainan Provincial Key Lab of Fine ChemistrySchool of Chemical Engineering and TechnologyHainan UniversityHaikou570228China Nanjing IPE Institute of Green Manufacturing Industry Nanjing211100China Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of SciencesBeijing100049China

Recycling precious metals with high-efficiency is undoubtedly beneficial to optimize resource utilization for environmental remediation and sustainable development.Herein,we report an efficient route to recycle the palladium(Pd)and platinum(Pt)electrocatalysts using a phase transfer method.This strategy involves acidic dissolution of deactivated precious metal(Pd/Pt)electrocatalysts from their loading substrates,mixing with an ethanolic solution of dodecylamine(DDA),subsequent extraction of metal ions into a non-polar organic phase,and final reduction by sodium borohydride to reproduce high-performance electrocatalysts towards typical electrochemical reactions,e.g.,oxygen reduction reaction(ORR)and ethanol oxidation reaction(EOR).In specific,the transfer efficiencies are up to 98%and the final recovery rate is over 85%for Pd and Pt electrocatalysts in each cycle.This approach symbolizes a facile and efficient way to recover precious metals,which might be applied to recycling a wide range of metals in various realms after appropriate modifications.

关键词： Precious metal Phase transfer Extraction Recovery Electrocatalyst

Dual template-induced construction of three-dimensional porous SiO2/NC/Co-CNTs heterostructure with highly dispersed active sites for efficient oxygen evolution reaction

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Tungsten 2024年第3期6卷 585-595页

作者： hai-Qi Zhang Xiao-Jun Zeng qing-qing Zhang Zu-Liang Zhang Chu-Long Jin Rong-hai Yu School of Materials Science and Engineering Jingdezhen Ceramic University School of Materials Science and Engineering Beihang University

The development and exploration of efficient and economical electrocatalysts for oxygen evolution reaction（OER） represents the main bottleneck to unlocking a sustainable energy scenario based on elec trocataly tic water splitting.Nano scale integration of three-dimensional（3D） porous heterostructure with highly dispersed active sites and good structural stability is challenging.Herein,a dual template route is developed to construct the 3D porous SiO2/nitrogen-doped carbon（NC）/Co-carbon nano tubes（CNTs） hetero structure.Importantly,the hard template（SiO2nano spheres） contributes to 3D porous structure,increases the specific surface area,and promotes the contact area of the electrolyte.At the same time,the soft template（basic zinc carbonate） can control the growth of 1D CNTs and facilitate the exposure of the active sites.Apparently,3D porous SiO2/NC/Co-CNTs hetero structure inherits highly dispersed Co nanoparticles coated by NC.CNTs conductive channels and abundant N hetero atoms doping are reasonably constructed by a dual template strategy.Therefore,SiO2/NC/Co-CNTs catalyst provides an extraordinary activity for the OER in alkaline media,with a low overpotential of 298 mV at a current density of 10 mA·cm-2.Furthermore,SiO2/NC/Co-CNTs hetero structure enables excellent long-term durability with a 10 mV decay in overpotential after 3000 cyclic voltammetry cycles,and 97% remain in current density over 20 h.It is believed that this dual template strategy can provide a new and simple way to construct a highly dispersed active site in electrocatalysts.

关键词： Dual template High dispersion Porous heterostructure Conductive channels Oxygen evolution reaction

Comparative Analysis of ARIMA and LSTM Model-Based Anomaly Detection for Unannotated Structural Health Monitoring Data in an Immersed Tunnel

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Computer Modeling in Engineering & Sciences 2024年第5期139卷 1797-1827页

作者： qing Ai Hao tian Hui Wang qing Lang Xingchun Huang Xinghong Jiang Qiang Jing School of Naval Architecture Ocean and Civil EngineeringShanghai Jiao Tong UniversityShanghai200240China Key Laboratory of Road and Bridge Detection and Maintenance Technology of Zhejiang Province Hangzhou311305China Zhejiang Scientific Research Institute of Transport Hangzhou310023China State Key Laboratory of Coal Mine Dynamics and Control Chongqing UniversityChongqing400044China Hong Kong-Zhuhai-Macao Bridge Authority Zhuhai519060China

Structural Health Monitoring(SHM)systems have become a crucial tool for the operational management of long tunnels.For immersed tunnels exposed to both traffic loads and the effects of the marine environment,efficiently identifying abnormal conditions from the extensive unannotated SHM data presents a significant challenge.This study proposed amodel-based approach for anomaly detection and conducted validation and comparative analysis of two distinct temporal predictive models using SHM data from a real immersed tunnel.Firstly,a dynamic predictive model-based anomaly detectionmethod is proposed,which utilizes a rolling time window for modeling to achieve dynamic prediction.Leveraging the assumption of temporal data similarity,an interval prediction value deviation was employed to determine the abnormality of the data.Subsequently,dynamic predictive models were constructed based on the Autoregressive Integrated Moving Average(ARIMA)and Long Short-Term Memory(LSTM)models.The hyperparameters of these models were optimized and selected using monitoring data from the immersed tunnel,yielding viable static and dynamic predictive models.Finally,the models were applied within the same segment of SHM data,to validate the effectiveness of the anomaly detection approach based on dynamic predictive modeling.A detailed comparative analysis discusses the discrepancies in temporal anomaly detection between the ARIMA-and LSTM-based models.The results demonstrated that the dynamic predictive modelbased anomaly detection approach was effective for dealing with unannotated SHM data.In a comparison between ARIMA and LSTM,it was found that ARIMA demonstrated higher modeling efficiency,rendering it suitable for short-term predictions.In contrast,the LSTM model exhibited greater capacity to capture long-term performance trends and enhanced early warning capabilities,thereby resulting in superior overall performance.

关键词： Anomaly detection dynamic predictive model structural health monitoring immersed tunnel LSTM ARIMA