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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 *** is proved as the main product with the turnover frequency of 1.32 × 10^(-4)s^(-1)at 573 K and 3 *** 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

Properties of Ultra-low Thermal Expansion LAS Transparent Glass-ceramics Prepared by Spodumene

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Journal of Wuhan University of Technology(Materials Science) 2024年第3期39卷 541-550页

作者：何峰何子君 ZHOU Zhiqiang tian Yingliang ZHAO Zhiyong School of Materials Science and Engineering Beijing University of TechnologyBeijing 100124China Department of Functional Material Research Central Iron and Steel Research InstituteBeijing 100081China School of Materials Science and Engineering Wuhan University of TechnologyWuhan 430070China National Engineering Research Center of FPD Glass Technology Xianyang 712000China

The glass-ceramics were prepared with the spodumene mineral as the main raw material,and the effects of ZrO_(2)replacing TiO_(2)on the samples were systematically *** results show that the substitution of ZrO_(2)for TiO_(2)is not conductive to precipitate𝛽β-quartz solid solution phase,but can improve the transparency and flexural strength of *** the glass-ceramic with the highest visible light transmittance(87%)and flexural strength(231.80 MPa)exhibits an ultra-low thermal expansion of-0.028×10^(-7)K^(-1)in the region of 30-700℃.

关键词： ultra-low thermal expansion LAS transparent glass-ceramics substitution of ZrO_(2)for TiO_(2) spodumene mineral

Sand control mechanism of radial well filled with phase change material in hydrate reservoir

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Petroleum Science 2024年第4期21卷 2571-2582页

作者： Xiao-Qiang Liu Zhong-Xi Han Zhi-Lin Luo Hai-Long Lu Ying Sun qing You tian-Kui Guo Zhan-qing Qu School of Energy Resources China University of Geosciences (Beijing) Beijing Key Laboratory of Unconventional Natural Gas Geological Evaluation and Development Engineering China University of Geosciences (Beijing) China Research Institute of Petroleum Exploration and Development Engineering Technology Research Institute of Southwest Oil & Gas Field Company PetroChina Beijing International Center for Gas Hydrate School of Earth and Space Sciences Peking University School of Advanced Material Peking University Shenzhen Graduate School School of Petroleum Engineering China University of Petroleum (East China)

Radial well filled with phase change material has been proposed as a novel sand control method for hydrate exploitation. In order to reveal the sand control mechanism, CFD-DEM coupling method is applied to simulate the migration, settlement, and blockage processes of sand particles in the radial *** obtained results indicate that three scenarios have been recognized for sand particles passing through sand control medium, based on the diameter ratio of sand control medium to sand particle（Dd）:fully passing（Dd= 8.75-22.5）, partially passing and partially blocked（Dd= 3.18-5.63）, and completely blocked（Dd= 2.18-3.21）. After being captured by the sand control medium, sand particles can block pores, which increases fluid flow resistance and causes a certain pressure difference in the radial *** pressure in the radial well should be lower than the hydrate phase equilibrium pressure during sand control design, for the purpose of promoting hydrate decomposition, and sand capture. The length of the radial well should be optimized based on the reservoir pore pressure, production pressure difference,bottom hole pressure, and the pressure gradient in the radial well. It should be noticed that the sand control medium leads to a decrease in permeability after sand particles captured. Even the permeability is reduced to several hundred millidarcy, it is still sufficient to ensure the effective flow of gas and water after hydrate decomposition. Increasing fluid velocity reduces the blocking capacity of the sand control medium, mainly because of deterioration in bridging between sand particles.

关键词： Hydrate reservoir Sand control Radial well CFD-DEM

Omental fibroma combined with right indirect inguinal hernia masquerades as a scrotal tumor: A case report

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World Journal of Clinical Cases 2024年第5期12卷 988-994页

作者： Ping Zhou Chan-Hui Jin Ying Shi Guo-qing Ma Wen-Hao Wu Yu Wang Kun Cai Wu-feng Fan tian-Bao Wang Department of Gastrointestinal Surgery South China Hospital of Shenzhen UniversityShenzhen 518000Guangdong ProvinceChina

BACKGROUND The most common causes of scrotal enlargement in patients include primary tumor of the scrotum,inflammation,hydrocele of the tunica vaginalis,and indirect inguinal hernia;scrotal enlargement caused by external tumors of the scrotum is *** patient had both a greater omentum tumor and an inguinal hernia,and the tumor protruded into the scrotum through the hernia sac,which is even ***,omental tumors are mostly metastatic,and primary omental fibroma is *** SUMMARY Here,we report a rare case of a 25-year-old young man with scrotal enlargement and pain for 3 *** examination and multidisciplinary discu-ssions considered intra-abdominal tumor displacement and inguinal hernia,and intraoperative exploration confirmed that the greater omentum tumor protruded into the ***,tumor resection and tension-free inguinal hernia repair were *** final diagnosis was benign fibroma of the greater omentum accompanied by an indirect inguinal *** This unusual presentation of a common inguinal hernia disease illustrates the necessity of performing detailed history taking,physical examination,and imaging before surgery.

关键词： Hernia Indirect inguinal hernia Fibroma Omental tumor Scrotal tumor Greater omentum Case report

Grain boundary-induced drastic sensing performance enhancement of Fe2O3 gas sensors for acetone

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Rare Metals 2024年第9期43卷 4412-4424页

作者： tian-Jun Hu Yi-Fan Li Yu-Zhu tian Ying Wang Ya-Ru Chen Jun-Ming Zhang Er-Gui Luo Jian-feng Jia Key Laboratory of Magnetic Molecules & Magnetic Information Materials Ministry of Education School of Chemical and Material ScienceShanxi Normal University

Exploring the structure-activity relationship between the performance of gas sensors and the structure of semiconductor metal oxide （SMO） nanomaterials is crucial for understanding and designing gas-sensing materials and overcoming the application limitations of SMO-based gas *** of a single SMO microstructure provides a promising solution to address this scientific problem due to its controllable *** this study,we control the grain boundary （GB） density of Fe2O3nanomaterials using a simple solvothermal *** have similar chemical compositions and crystal phases,providing an ideal platform for studying the influence of the GB density on the gas-sensing ***-sensing tests showed that the Fe2O3-1 sensor with medium GB density and the Fe2O3-2 sensor with high GB density had higher sensitivity and selectivity than the Fe2O3-0 sensors with low GB density before reaching the optimal operating ***,when the GB density increased,the response to acetone decreased slightly,whereas the optimal operating temperature *** work highlights the unique performance of the GB density in enhancing the gas sensitivity of a single SMO.

关键词： Charge transfer Gas sensors Grain boundary (GB) density Oxygen adsorption Semiconductor metal oxide (SMO)

Metal complexes of bipyridine-functionalized covalent organic frameworks as efficient electrocatalysts for oxygen evolution reaction

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Rare Metals 2024年第7期43卷 3096-3106页

作者： Zhuang-Zhuang Wu tian Xia Ying Liang Yong-Peng Li Zhu-Yin Sui Li-Juan feng Dao-Xiong Wu Xin-Long tian Qi Chen State Key Laboratory of Marine Resource Utilization in South China Sea School of Marine Science and EngineeringHainan UniversityHaikou 570228China School of Chemistry and Chemical Engineering Yantai UniversityZhuhai519041China School of Bioengineering Zhuhai Campus of Zunyi Medical UniversityZhuhai519041China

Electrocatalytic water splitting is considered a clean and practic al method for producing *** this study,COF-Bpy,a bipyridine-functionalized covalent organic framework(COF),was prepared via post-synthetic modification,after which electrocatalysts for the oxygen evolution reactions(OER)were formed through coordination to single-or double-transition metals(Fe,Co,Ni,FeCo,FeNi or CoNi).COF-Bpy@FeNi delivered the best OER performance among the studied electrocatalysts,with an overpotential of 399 mV at 10 mA·cm^(-2)in an alkaline electrolyte(1.0 mol·L^(-1)KOH aqueous).Notably,the electrocatalytic performance of COF-Bpy@FeNi showed slight degradation during durability testing,which is ascribable to its irreversible benzoquinoline structure and strong metal *** expected,COF-Bpy@FeNi exhibited a low overpotential of 347 mV at a turnover frequency(TOF)of 0.1 s^(-1),which suggests that COF-Bpy@FeNi possesses excellent intrinsic electroc atalytic OER ***,density functional theory(DFT)calculations reveal that the Ni site plays a major role,while the Fe site adjusts the electronic structure of the Ni ions,which rationalizes the excellent OER properties of COF-Bpy@*** study not only provides a simple and efficient method for complexing COFs with transition metals,but also offers a novel strategy for designing porous organic polymer electrocatalysts.

关键词： Covalent organic framework Oxygen evolution reactions(OER)electrocatalyst Nickel-iron synergy Water splitting

Gamma/Hadron Separation Method for the HADAR Experiment

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Research in Astronomy and Astrophysics 2024年第3期24卷 70-74页

作者： Yang-Zhao Ren tian-Lu Chen You-Liang feng Dan-Zeng Luo-Bu Yi-qing Guo Cheng Liu Qi Gao Mao-Yuan Liu Xiang-Li Qian Ya-Ping Wang Zi-Hao Zhang Xin-Long Li qing-Yuan Hou Heng-Jiao Liu qing-Qian Zhou Shan-Jie Shu The Key Laboratory of Cosmic Rays(Tibet University) Ministry of EducationLhasa 850000China Key Laboratory of Particle Astrophysics Institute of High Energy PhysicsChinese Academy of Sciences University of Chinese Academy of Sciences School of Intelligent Engineering Shandong Management University

Ground-based arrays of imaging atmospheric Cherenkov telescopes(IACTs)are the most sensitiveγ-ray detectors for energies of approximately 100 Ge V and *** such IACT is the High Altitude Detection of Astronomical Radiation(HADAR)experiment,which uses a large aperture refractive water lens system to capture atmospheric Cherenkov photons(i.e.,the imaging atmospheric Cherenkov technique).The telescope array has a low threshold energy and large field of view,and can continuously scan the area of the sky being observed,which is conducive to monitoring and promptly responding to transient *** process ofγ-hadron separation is essential in very-high-energy(>30 Ge V)γ-ray astronomy and is a key factor for the successful utilization of *** this study,Monte Carlo simulations were carried out to model the response of cosmic rays within the HADAR *** analyzing the Hillas parameters and the distance between the event core and the telescope,the distinction between air showers initiated byγ-rays and those initiated by cosmic rays was ***,a Quality Factor was introduced to assess the telescope’s ability to suppress the background and to provide a more effective characterization of its performance.

关键词： astroparticle physics-telescopes-methods data analysis

Mixed D-vine copula-based conditional quantile model for stochastic monthly streamflow simulation

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Water Science and Engineering 2024年第1期17卷 13-20页

作者： Wen-zhuo Wang Zeng-chuan Dong tian-yan Zhang Li Ren Lian-qing Xue Teng Wu College of Water Resources and Hydrology Hohai UniversityNanjing 210098China Yellow River Research Center Hohai UniversityNanjing 210098China

Copula functions have been widely used in stochastic simulation and prediction of ***,existing models are usually limited to single two-dimensional or three-dimensional copulas with the same bivariate block for all *** address this limitation,this study developed a mixed D-vine copula-based conditional quantile model that can capture temporal *** model can generate streamflow by selecting different historical streamflow variables as the conditions for different months and by exploiting the conditional quantile functions of streamflows in different months with mixed D-vine *** up-to-down sequential method,which couples the maximum weight approach with the Akaike information criteria and the maximum likelihood approach,was used to determine the structures of multivariate Dvine *** developed model was used in a case study to synthesize the monthly streamflow at the Tangnaihai hydrological station,the inflow control station of the Longyangxia Reservoir in the Yellow River *** results showed that the developed model outperformed the commonly used bivariate copula model in terms of the performance in simulating the seasonality and interannual variability of *** model provides useful information for water-related natural hazard risk assessment and integrated water resources management and utilization.

关键词： Stochastic monthly streamflow simulation Mixed D-vine copula Conditional quantile model Up-to-down sequential method Tangnaihai hydrological station

Alisol B 23-acetate promotes white adipose tissue browning to mitigate high-fat diet-induced obesity by regulating mTOR-SREBP1 signaling

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Journal of Integrative Medicine 2024年第1期22卷 83-92页

作者： Lu-lu Han Xin Zhang Hui Zhang Ting Li Yi-chen Zhao Ming-hui tian feng-lei Sun Bo feng Department of Neurology Three The Fifth People’s Hospital of JinanJinan 250013Shandong ProvinceChina Department of Gastroenterology Affiliated Hospital of Shandong University of Traditional Chinese MedicineJinan 250014Shandong ProvinceChina The First Clinical Medical College Shandong University of Traditional Chinese MedicineJinan 250014Shandong ProvinceChina Department of Geriatrics the First Affiliated Hospital of Shandong First Medical University(Shandong Provincial Qianfoshan Hospital)Jinan 250014Shandong ProvinceChina Chinese Medicine Culture and Literature Research Institute Shandong University of Traditional Chinese MedicineJinan 250014Shandong ProvinceChina Department of General Medicine Affiliated Hospital of Shandong University of Traditional Chinese MedicineJinan 250014Shandong ProvinceChina Department of Traditional Chinese Medicine the Second People’s Hospital of Haibei PrefectureZangzu Autonomous Prefecture of Haibei810300Qinghai ProvinceChina

Objective Obesity is a global health concern with management strategies encompassing bariatric surgery and anti-obesity drugs;however,concerns regarding complexities and side effects persist,driving research for more effective,low-risk *** promotion of white adipose tissue(WAT)browning has emerged as a promising ***,alisol B 23-acetate(AB23A)has demonstrated efficacy in addressing metabolic disorders,suggesting its potential as a therapeutic agent in obesity ***,in this study,we aimed to investigate the therapeutic potential of AB23A for mitigating obesity by regulating metabolic phenotypes and lipid distribution in mice fed a high-fat diet(HFD).Methods An obesity mouse model was established by administration of an *** and insulin metabolism were assessed via glucose and insulin tolerance *** size was determined using hematoxylin and eosin *** expression of browning markers in WAT was evaluated using Western blotting and quantitative real-time polymerase chain *** cage monitoring involved the assessment of various parameters,including food and water intake,energy metabolism,respiratory exchange rates,and physical ***,oil red O staining was used to evaluate intracellular lipid accumulation.A bioinformatic analysis tool for identifying the molecular mechanisms of traditional Chinese medicine was used to examine AB23A targets and associated signaling *** AB23A administration significantly reduced the weight of obese mice,decreased the mass of inguinal WAT,epididymal WAT,and perirenal adipose tissue,improved glucose and insulin metabolism,and reduced adipocyte ***,treatment with AB23A promoted the expression of browning markers in WAT,enhanced overall energy metabolism in mice,and had no discernible effect on food intake,water consumption,or physical *** 3T3-L1 cells,AB23A inhibited lipid accumulation,and both AB23A and rapamycin inhibited t

关键词： Obesity Alisol B 23-acetate Adipose tissue mTOR-SREBP1 High-fat diet