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Role of bonding filling on HER/OER/ORR multifunctional catalytic activity in transition-metals-doped PdPX(X=S,Se,Te)

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Rare Metals 2024年第10期43卷 5126-5140页

作者： hai-hua huang Wei Li Cheng-Chao Hu Xue-Qin Sun Lin-Guo Lu Xiao-Feng Fan School of Materials Science and Engineering Laboratory of Sensitive Materials and DevicesShandong Department of EducationLiaocheng University School of Environmental and Material Engineering Yantai University Department of Physics University of Puerto Rico Key Laboratory of Automobile Materials (Jilin University) Ministry of EducationCollege of Materials Science and EngineeringJilin University

The development of stable and highly efficien multifunctional electrocatalysts for the hydrogen evolution reaction （HER）,oxygen reduction reaction （ORR） and oxygen evolution reaction （OER） are essential for the efficient conversion and storage of renewable *** significant advantages of single-atom catalysts,such as strong metal slab interactions,unsaturated coordination and efficient atomic utilization,have opened new avenues for designing multifunctional ***,based on density functional theory,a single atom doped PdPX system was designed as a multifunctional electrocatalyst,which demonstrated the synergistic effect between defects and transition metal atoms and led to enhanced catalytic *** results showed that PdPS/PdPSe with P/X vacancy,PdPTe with P/Pd vacancy and Co/Rh/Ir@PdPX exhibited promising HER ***@PdPS（Se）,with an overpotential of 0.56（0.44） V,was predicted to be a promising OER ***,Rh（Ir）@PdPS（Se）catalysts exhibited efficient catalytic properties for ORR Besides,Co@PdPS（Se）,Rh（Ir）@PdPSV（S）,Co@PdP-SeV（Se）and Ir@PdPSV（S）-1exihibited multifunctional catalytic performance with moderate ***,the origin of catalytic activity was revealed by using the crystal orbital Hamilton populations *** a strong adsorption system,proper filling of the anti-bonding state can increase the energy of the system,weaken the adsorption strength,and facilitate the desorption of intermediates Conversely,augmenting bonding states can enhance its adsorption *** findings provide theoretica guidance for the design and fabrication of novel multifunctional electrocatalysts in terms of filling of bondingstate.

关键词： Density functional theory Electrocatalyst Two-dimensional PdPX Water splitting

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Highly active electrocatalytic CO_(2) reduction with manganese N-heterocyclic carbene pincer by para electronic tuning

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Chinese Chemical Letters 2022年第1期33卷 262-265页

作者： Can huang Jiahao Liu hai-hua huang Xianfang Xu Zhuofeng Ke School of Materials Science&Engineering School of ChemistryPCFM LabSun Yat-sen UniversityGuangzhou 510275China

Electronic tuning by para substitutions was explored to achieve a highly active manganese N-heterocyclic carbene pincer complex for the selective electrocatalytic reduction of CO_(2)to CO.[MnCNC^(OMe)]BF_(4)(L2-Mn)bearing an electron-donating group(-OMe)showed high activity with 63×catalytic current enhancement,average Faradaic efficiency of 104%,and a TOF_(max) value of 26,127 s^(-1),which is 127 times higher than that of unsubstituted[MnCNCH]Br(L1-Mn)reported *** contrast,the electron-withdrawing group(-COOMe)in[MnCNC^(CO^(OMe))]PF_(6)(L3-Mn)inhibited the electrocatalytic *** Brønstic acid,however,suppressed the activity of L2-Mn probably due to the protonation of the-OMe *** findings indicate a potential electronic tuning strategy to improved manganese N-heterocyclic carbene catalysts for CO_(2)reduction.

关键词： Pyridine N-heterocyclic carbene Electrocatalysis Carbon dioxide conversion Manganese Substituent effect

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Computer simulation of super-magnetoelastic behavior near critical region of magnetic materials based on phase-field method

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稀有金属:英文版 2023年第8期42卷 2477-2488页

作者： Zhao Zhang Cheng-Chao Hu An-Hang Zhou Yu-Xin Xu Yuan-Yuan Wu hai-hua huang Hou-Bing huang Jun-Jie Ni Wei Li Wei-Feng Rao School of Materials Science and Engineering Liaocheng UniversityLiaocheng 252059China Advanced Research Institute of Multidisciplinary Science Beijing Institute of TechnologyBeijing 100081China School of Mechanical Engineering Qilu University of Technology(Shandong Academy of Sciences)Jinan 250353China Shandong Institute of Mechanical Design and Research Jinan 250031China

Since the discovery of ferromagnetic morphotropic phase boundary(MPB)in 2010,the connotation and extension of MPB have been becoming more and more *** the last dozen years,much experimental work has been done to design magnetostrictive materials based on the MPB ***,due to the difficulty in direct experimental observations and the complexity of theoretical treatments,the insight into the microstructure property relationships and underlying mechanisms near the ferromagnetic MPB has not been fully ***,we have reviewed our recent computer simulation work about the super-magnetoelastic behavior near the critical region of several typical ***-field modeling and simulation are employed to explore the domain configuration and engineering in single crystals as well as the grain size effect in ***,a general nano-embryonic mechanism for superelasticity is also ***,some future perspectives and challenges are presented to stimulate a deeper consideration of the research paradigm between multiscale modeling and material development.

关键词： Super-magnetoelastic behavior Phase-field simulation Morphotropic phase boundary(MPB)

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Synergistic catalysis of the N-hydroxyphthalimide on flower-like bimetallic metal-organic frameworks for boosting oxidative desulfurization

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Petroleum Science 2024年第1期21卷 674-682页

作者： Jing He Kun Zhu Wei Jiang Dong-Ao Zhu Lin-hua Zhu hai-Yan huang Wen-Shuai Zhu hua-Ming Li Institute for Energy Research Jiangsu UniversityZhenjiang212013JiangsuChina College of Chemistry and Chemical Engineering Hainan Normal UniversityKey Laboratory of Water Pollution Treatment and Resource Reuse of Hainan ProvinceHaikou571158HainanChina

Synergic catalytic effect between active sites and supports greatly determines the catalytic activity for the aerobic oxidative desulfurization of fuel *** this work,Ni-doped Co-based bimetallic metal-organic framework(CoNi-MOF)is fabricated to disperse N-hydroxyphthalimide(NHPI),in which the whole catalyst provides plentiful synergic catalytic effect to improve the performance of oxidative desulfurization(ODS).As a bimetallic MOF,the second metal Ni doping results in the flower-like morphology and the modification of electronic properties,which ensure the exposure of NHPI and strengthen the synergistic effect of the overall *** with the monometallic Co-MOF and naked NHPI,the NHPI@CoNi-MOF triggers the efficient activation of molecular oxygen and improves the ODS performance without an *** sulfur removal of dibenzothiophene-based model oil reaches 96.4%over the NHPI@CoNi-MOF catalyst in 8 h of ***,the catalytic product of this aerobic ODS reaction is sulfone,which is adsorbed on the catalyst surface due to the difference in *** work provides new insight and strategy for the design of a strong synergic catalytic effect between NHPI and bimetallic supports toward high-activity aerobic ODS materials.

关键词： Metal-organic frameworks Doped Bimetallic N-hydroxyphthalimide Aerobic processes Oxidative desulfurization

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Clinical characteristics and treatment compounds of obesity-related kidney injury

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World Journal of Diabetes 2024年第6期15卷 1091-1110页

作者： Tuo-hua Mao Han-Qi huang Chuan-hai Zhang Department of Endocrinology Renmin Hospital of Wuhan UniversityWuhan 430060Hubei ProvinceChina Department of Endocrinology Hubei No.3 People’s Hospital of Jianghan UniversityWuhan 430033Hubei ProvinceChina Department of Physiology UT Southwestern Medical CenterDallasTX 75390United States

Disorders in energy homeostasis can lead to various metabolic diseases,particularly *** obesity epidemic has led to an increased incidence of obesityrelated nephropathy(ORN),a distinct entity characterized by proteinuria,glomerulomegaly,progressive glomerulosclerosis,and renal function *** and its associated renal damage are common in clinical practice,and their incidence is increasing and attracting great *** is a great need to identify safe and effective therapeutic modalities,and therapeutics using chemical compounds and natural products are receiving increasing ***,the summary is lacking about the specific effects and mechanisms of action of compounds in the treatment of *** this review,we summarize the important clinical features and compound treatment strategies for obesity and obesityinduced kidney *** also summarize the pathologic and clinical features of ORN as well as its pathogenesis and potential therapeutics targeting renal inflammation,oxidative stress,insulin resistance,fibrosis,kidney lipid accumulation,and dysregulated *** addition,detailed information on natural and synthetic compounds used for the treatment of obesity-related kidney disease is *** synthesis of detailed information aims to contribute to a deeper understanding of the clinical treatment modalities for obesity-related kidney diseases,fostering the anticipation of novel insights in this domain.

关键词： Compounds Obesity Kidney injury Obesity-related nephropathy Clinical features and treatment

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Biomechanical analysis of an absorbable material for treating fractures of the inferior orbital wall

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International Journal of Ophthalmology(English edition) 2024年第7期17卷 1331-1336页

作者： Jin-hai Yu Ze-Xi Sang huang Zhang Qi-hua Xu Qin huang Hong-Fei Liao Yao-hua Wang School of Optometry Jiangxi Medical CollegeNanchang UniversityNanchang 330006Jiangxi ProvinceChina Jiangxi Research Institute of Ophthalmology and Visual Science Nanchang 330006Jiangxi ProvinceChina Jiangxi Provincial Key Laboratory for Ophthalmology Nanchang 330006Jiangxi ProvinceChina National Clinical Research Center for Ocular Diseases Jiangxi Province Division Nanchang 330006Jiangxi ProvinceChina The Affiliated Eye Hospital Jiangxi Medical CollegeNanchang 330006Jiangxi ProvinceChina Jiangxi Clinical Research Center for Ophthalmic Disease Nanchang 330006Jiangxi ProvinceChina

AIM:To investigate the biomechanical properties and practical application of absorbable materials in orbital fracture ***:The three-dimensional(3D)model of orbital blowout fractures was reconstructed using Mimics21.0 *** repair guide plate model for inferior orbital wall fracture was designed using 3-matic13.0 and Geomagic wrap 21.0 *** finite element model of orbital blowout fracture and absorbable repair plate was established using 3-matic13.0 and ANSYS Workbench 21.0 *** mechanical response of absorbable plates,with thicknesses of 0.6 and 1.2 mm,was modeled after their placement in the *** patients with inferior orbital wall fractures volunteered to receive single-layer and double-layer absorbable plates combined with 3D printing technology to facilitate surgical treatment of orbital wall ***:The finite element models of orbital blowout fracture and absorbable plate were successfully *** element analysis(FEA)showed that when the Young’s modulus of the absorbable plate decreases to 3.15 MPa,the repair material with a thickness of 0.6 mm was influenced by the gravitational forces of the orbital contents,resulting in a maximum total deformation of approximately 3.3 ***,when the absorbable plate was 1.2 mm thick,the overall maximum total deformation was around 0.4 *** half-year follow-up results of the clinical cases confirmed that the absorbable plate with a thickness of 1.2 mm had smaller maximum total deformation and better clinical ***:The biomechanical analysis observations in this study are largely consistent with the clinical *** use of double-layer absorbable plates in conjunction with 3D printing technology is recommended to support surgical treatment of infraorbital wall blowout fractures.

关键词： orbital blowout fracture absorbable material finite element analysis 3D printing technology

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Associations between Geriatric Nutrition Risk Index,bone mineral density and body composition in type 2 diabetes patients

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World Journal of Diabetes 2024年第3期15卷 403-417页

作者： Xiao-Xiao Zhu Kai-Feng Yao hai-Yan huang Li-hua Wang Department of Pediatrics The Second Affiliated Hospital of Nantong UniversityFirst People’s Hospital of Nantong CityNantong 226001Jiangsu ProvinceChina Department of Nursing The Second Affiliated Hospital of Nantong UniversityFirst People’s Hospital of Nantong CityNantong 226001Jiangsu ProvinceChina Department of Endocrinology The Second Affiliated Hospital of Nantong UniversityFirst People’s Hospital of Nantong CityNantong 226001Jiangsu ProvinceChina

BACKGROUND Type 2 diabetes mellitus(T2DM),a fast-growing issue in public health,is one of the most common chronic metabolic disorders in older *** and sarcopenia are highly prevalent in T2DM patients and may result in fractures and *** people with T2DM,the association between nutrition,sarcopenia,and osteoporosis has rarely been *** To evaluate the connections among nutrition,bone mineral density(BMD)and body composition in patients with *** We enrolled 689 patients with T2DM for this cross-sectional *** patients underwent dual energy X-ray absorptiometry(DXA)examination and were categorized according to baseline Geriatric Nutritional Risk Index(GNRI)values calculated from serum albumin levels and body *** GNRI was used to evaluate nutritional status,and DXA was used to investigate BMD and body *** forward linear regression analysis was used to identify the factors associated with BMD and skeletal muscle mass *** Of the total patients,394 were men and 295 were *** with patients in tertile 1,those in tertile 3 who had a high GNRI tended to be younger and had lower HbA1c,higher BMD at all bone sites,and higher appendicular skeletal muscle index(ASMI).These important trends persisted even when the patients were divided into younger and older *** GNRI was positively related to ASMI(men:r=0.644,P<0.001;women:r=0.649,P<0.001),total body fat(men:r=0.453,P<0.001;women:r=0.557,P<0.001),BMD at all bone sites,lumbar spine(L1-L4)BMD(men:r=0.110,P=0.029;women:r=0.256,P<0.001),FN-BMD(men:r=0.293,P<0.001;women:r=0.273,P<0.001),and hip BMD(men:r=0.358,P<0.001;women:r=0.377,P<0.001).After adjustment for other clinical parameters,the GNRI was still significantly associated with BMD at the lumbar spine and femoral ***,a low lean mass index and higherβ-collagen special sequence were associated with low BMD at all bone *** was negatively correlated with

关键词： Geriatric Nutrition Risk Index Bone mineral density Skeletal muscle mass Type 2 diabetes

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Cost-effectiveness analysis of different anesthesia strategies for transperineal MRI/US fusion prostate biopsy

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Asian Journal of Andrology 2024年第4期26卷 409-414页

作者： Di Jin Xiao-Qi Kong Ya-Juan Zhu Zong-Xin Chen Xi-Ming Wang Cai-hua Xu Jin-Xian Pu Jian-Quan Hou Yu-hua huang Fu-hai Ji Chen huang Department of Anesthesiology The First Affiliated Hospital of Soochow UniversitySuzhou 215006China Department of Urology The First Affiliated Hospital of Soochow UniversitySuzhou 215006China Department of Radiology The First Affiliated Hospital of Soochow UniversitySuzhou 215006China Department of Oncology The First Affiliated Hospital of Soochow UniversitySuzhou 215006China Department of Urology Dushu Lake Hospital Affiliated to Soochow UniversitySuzhou 215000China.

This study aims to conduct a cost-effectiveness analysis of three different anesthesia strategies,namely chatting while under local anesthesia(Chat-LA),total intravenous anesthesia(TIVA),and general anesthesia with laryngeal mask airway(GA-LMA),employed in transperineal magnetic resonance imaging(MRI)/ultrasound(US)fusion prostate biopsy(TP-MUF-PB).A retrospective study was conducted involving 1202 patients who underwent TP-MUF-PB from June 2016 to April 2023 at The First Affiliated Hospital of Soochow University(Suzhou,China).Clinical data and outcomes,including total costs,complications,and quality-adjusted life years(QALYs),were *** sensitivity and subgroup analyses were also ***-LA was found to be the most cost-effective option,outperforming both TIVA and ***,subgroup analyses revealed that in younger patients(under 65 years old)and those with smaller prostate volumes(<40 ml),TIVA emerged as a more cost-effective *** Chat-LA may generally be the most cost-effective and safer anesthesia method for TP-MUF-PB,personalization of anesthesia strategies is crucial,considering specific patient demographics such as age and prostate volume.

关键词： anesthesia strategy cost-effectiveness analysis economic evaluation prostate biopsy prostate cancer

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Prevalence and Risk Factors of Stroke in Inpatients with Type 2 Diabetes Mellitus in China

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Current Medical Science 2024年第4期44卷 698-706页

作者： Zuo-ling XIE Chen-chen WANG Xi huang Zheng WANG hai-yan SHANGGUAN Shao-hua WANG Department of Endocrinology the Affiliated ZhongDa Hospital of Southeast UniversityNanjing210009China School of Medicine Southeast UniversityNanjing210009China

Objective The prevalence and the cluster characteristics of risk factors of stroke were assessed in a Chinese diabetic *** Clinical data of 30693 inpatients who were diagnosed with type 2 diabetes mellitus(T2DM)and admitted between 2013 and 2018 were retrospectively *** age-standardized prevalence of stroke was estimated using the 2010 Chinese population census data,and risk factors were analyzed by multiple imputation and *** The crude and standardized prevalence rates of stroke in patients with T2DM were 34.4%and 21.5%,respectively,and 85.2%of the stroke patients had ischemic *** half of the patients who experienced stroke had clusters of more than 4 risk *** with no-risk-factor clustering,the risk of stroke significantly increased 3-4 times in the presence of more than 4 risk-factor clusters(P<0.001).Hypertension was the most common major risk factor for ischemic stroke[odds ratio(OR),2.34;95%confidence interval(CI),2.18-2.50]and hemorrhagic stroke(OR,3.68;95%CI 2.95-4.59;P<0.001).Moreover,a 1-standard-deviation increase in fasting blood glucose(FBG)was significantly negatively correlated with ischemic stroke risk,and the same change in FBG was significantly associated with an 8%increased risk of hemorrhagic *** The prevalence of stroke in patients with T2DM is rather high,and the clustering of risk factors is associated with the development of stroke in T2DM *** factors differ in different stroke *** risk factors for a specific high-risk group is necessary.

关键词： type 2 diabetes mellitus stroke prevalence risk factor cluster

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A Mean-Field Game for a Forward-Backward Stochastic System With Partial Observation and Common Noise

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IEEE/CAA Journal of Automatica Sinica 2024年第3期11卷 746-759页

作者： Pengyan huang Guangchen Wang Shujun Wang hua Xiao the School of Control Science and Engineering Shandong University the School of Statistics and Mathematics Shandong University of Finance and Economics IEEE the School of Management Shandong University the School of Mathematics and Statistics Shandong University

This paper considers a linear-quadratic(LQ) meanfield game governed by a forward-backward stochastic system with partial observation and common noise,where a coupling structure enters state equations,cost functionals and observation ***,to reduce the complexity of solving the meanfield game,a limiting control problem is *** virtue of the decomposition approach,an admissible control set is *** a filter technique and dimensional-expansion technique,a decentralized control strategy and a consistency condition system are derived,and the related solvability is also ***,we discuss an approximate Nash equilibrium property of the decentralized control ***,we work out a financial problem with some numerical simulations.

关键词： Decentralized control strategy ϵ-Nash equilibrium forward-backward stochastic system mean-field game partial observation

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