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First principles study of Fenton reaction catalyzed by FeOCl:reaction mechanism and location of active site

Rare Metals 2019年第8期38卷 783-792页

作者： xuan-xuan ji Hai-Feng Wang Pei-Jun Hu Key Laboratory for Advanced Materials Research Institute of Industrial Catalysis and Centre for Computational Chemistry School of Chemical and Molecular Engineering East China University of Science and Technology Shanghai 200237 China School of Chemistry and Chemical Engineering The Queen’s University of Belfast Belfast BT9 5AZ UK

Fe-based solid catalysts in promoting Fenton reaction to generate ·OH radical has drawn much attention,and interestingly,FeOCl was reported to have superior activity compared with the traditional Fe2 O3 ***,the mechanism of Fenton reaction on FeOCl and the origin of high activity remain ***,by virtue of DFT+ U calculations,the H2 O2 decomposition and conversion mechanism on FeOCl(100)surface were systematically *** is found that on clean FeOCl(100)surface,the exposed[Fe^3+-Fe^3+]sites can hardly break O-O bond of H2 O2 into OH groups,but instead H2 O2 tends to dehydrogenate by the surface lattice O,resulting in a series of side reactions and final conversion into O2,while the left H atoms gradually saturate the surface lattice O and reduce Fe^3+ into Fe^2+.On fully H-covered FeOCl(100),H2O2 can efficiently dissociate at[Fe^2+-Fe^2+]sites into two OH,but OH binds with Fe^2+ so strongly that it cannot desorb as OH radical as easily as that on Fe^3+.Interestingly,FeOCl(100)tends to be partially protonated in the real acid solution,which,along with H2 O2 dehydrogenation,results in the formation of active unit [Fe^2+-Fe^3+].On[Fe^2+-Fe^3+]unit,H2 O2 can easily break its O-O bond and OH at Fe3+ can desorb as OH radical,while the other OH at Fe^2+ couples with the surface H into H2O and finish the catalytic *** comparison,Fe2 O3(012)cannot provide enough [Fe^2+-Fe^3+] active units due to the relative difficulty in H2 O2 dehydrogenation,which accounts for its inferior catalytic efficiency for Fenton reaction.

关键词： Fenton reaction FeOCl Density functional theory H2O2 Active site

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HeterMM: applying in-DRAM index to heterogeneous memory-based key-value stores

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Frontiers of Computer Science 2024年第4期18卷 215-217页

作者： Yunhong ji Wentao HUANG xuan ZHOU School of Information Renmin University of ChinaBeijing 100872China School of Computing National University of SingaporeSingapore 117417Singapore School of Data Science and Engineering East China Normal UniversityShanghai 200062China

1 Introduction Emerging byte-addressable storage technologies,such as NVM(Non-Volatile Memory),provide a more cost-effective and larger-capacity alternative to DRAM(Dynamic Random Access Memory)[1],presenting new opportunities to address the high cost,limited capacity,and volatility of in-memory key-value(KV)*** efforts have been dedicated to redesigning conventional structures on ***,they were challenged by the substantial engineering cost and increased complexity to be integrated into existing ***,a general framework to apply existing indexes to KV stores on NVM becomes more attractive[2].

关键词： stores applying value

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Clinical study on the relationship between liver cirrhosis,ascites,and hyponatremia

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World Journal of Gastrointestinal Surgery 2024年第3期16卷 751-758页

作者： xuan-ji Li Hui-Hui Meng Department of Gastroenterology Union HospitalTongji Medical CollegeHuazhong University of Science and TechnologyWuhan 430022Hubei ProvinceChina Department of Hepatology Hubei Provincial Hospital of Traditional Chinese MedicineWuhan 430065Hubei ProvinceChina

BACKGROUND Cirrhosis is a common liver disease,and ascites is one of the common clinical ***,the clinical manifestations of ascites combined with hyponatremia as a high-risk condition and its relationship to patient prognosis have not been fully *** To explore the clinical manifestations,prognostic factors,and relationships of ascites with hyponatremia in patients with cirrhosis to provide better diagnostic and treatment *** In this study,we retrospectively analyzed the clinical data of 150 patients diagnosed with cirrhosis and ascites between 2017 and *** were divided into two groups:ascites combined with hyponatremia group and ascites *** compared the general characteristics,degree of hyponatremia,complications,treatment,and prognosis between the two *** In the study results,patients in the ascites combined with hyponatremia group showed an older average age(58.2±8.9 years),64.4%were male,and had a significantly longer hospitalization time(12.7±5.3 d).Hyponatremia was more severe in this group,with a mean serum sodium concentration of 128.5±4.3 mmol/L,which was significantly different from the ascites group of 137.6±2.1 mmol/*** with ascites and hyponatremia were more likely to develop hepatic encephalopathy(56.2%vs 39.0%),renal impairment(45.2%vs 28.6%)and infection(37.0%vs 23.4%).Regarding treatment,this group more frequently used diuretics(80.8%vs 62.3%)and salt supplements(60.3%vs 38.9%).Multiple logistic regression analysis identified older age[Odds ratio(OR)=1.06,P=0.025]and male gender(OR=1.72,P=0.020)as risk factors for hyponatremia combined with ***,patients with ascites and hyponatremia present a clear high-risk status,accompanied by severe complications and poor *** In patients with cirrhosis,ascites with hyponatremia is a high-risk condition that is often associated with severe complications.

关键词： Liver cirrhosis Ascites Hyponatremia Risk Complications

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Metal-to-insulator transition in platinum group compounds

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Rare Metals 2024年第8期43卷 3460-3474页

作者： Yu-xuan Xia jian-Gang He Nuo-Fu Chen ji-Kun Chen School of New Energy North China Electric Power UniversityBeijing102206China School of Mathematics and Physics University of Science and Technology BeijingBeijing 100083China Key Laboratory of Advanced Materials and Devices for PostMoore Chips(Ministry of Education) School of Materials Science and EngineeringJniversity of Science and Technology BeijingBeijing 100083China

The metal-to-insulator transition(MIT) as usually achieved in 3d-orbital transitional metal(TM) compounds opens up a new paradigm in correlated electronics via triggering abrupt variations in their transportation *** to such 3d-orbital TM compounds,the MIT within the platinum group(Pg) element compounds based on the 4d-and 5d-orbital configurations is more complicated,owing to their elevation in the spinorbit coupling and meanwhile weakened intra-atomic Coulomb *** brings in a new freedom to regulate the balance in their metallic or semiconductive orbital configurations,while their MIT properties can be potentially combined with their spintronic properties to enable new electronic ***,we review the electronic transport and MIT behaviors within the existing family of Pg-containing compounds,particularly those showing first-order MIT behaviors that can be useful in correlated *** is also hoped that summarizing the presently reported Pg-containing MIT compounds will lead to the discovery of more new material families and/or new mechanisms associated with the Pg-containing compounds showing MIT properties.

关键词： Metal-to-insulator transition Platinum group compounds Electron correlation Spin-orbital coupling

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Comparison of cytokine levels in prostatic secretion between the Ⅲa and Ⅲb subtypes of prostatitis

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Asian Journal of Andrology 2024年第1期26卷 77-84页

作者： Cheng-Lin Han Yu-xuan Deng Peng Hu Bin-Tao Hu Tao Wang ji-Hong Liu Ming-Chao Li Department of Urology Tongji HospitalTongji Medical CollegeHuazhong University of Science and TechnologyWuhan 430000China

Chronic prostatitis/chronic pelvic pain syndrome(CP/CPPS),also known as National Institutes of Health(NIH)type Ⅲ prostatitis,is a common disorder with an unclear etiology and no known curative *** on the presence or absence of leukocytes in expressed prostatic secretion(EPS),CP/CPPS is classifiedfurther into Illa(inflammatory)and Illb(noninflammatory)***,the severity of symptoms is not entirely consistent with the white blood cell(WBC)*** the preliminary finding of a link between inflammatory cytokines and CP/CPPS,we performed this clinical study with the aim of identifying cytokines that are differentially expressed according to whether the prostatitis subtype is Ⅲa or Ⅲ*** found that granulocyte colony-stimulating factor(G-CSF),interleukin-18(IL-18),and monocyte chemoattractant protein-1(MCP-1)levels were significantly elevated and interferon-inducible protein-10(IP-10)and platelet-derived growth factor-BB(PDGF-BB)levels were downregulated in the EPS of patients with type Ⅲa *** a word,it is a meaningful study in which we investigate the levels of various cytokines in EPS according to whether prostatitis is the Ⅲa or Ⅲb *** combination of G-CSF,IL-18,MCP-1,IP-10,and PDGF-BB expression levels could form a basis for classification,diagnosis,and therapeutic targets in clinical P/CPPS.

关键词： chronic prostatitis/chronic pelvic pain syndrome(CP/CPPS) cytokines NIH-Ⅲa NIH-ⅢB

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A Dielectric Ink Combining Acrylate and Cyanate Moieties for Inkjet 3D Printing with Good Thermal Stability

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Chinese Journal of Polymer Science 2024年第6期42卷 766-774页

作者： Yi-xuan Li Liang-Ying Wu Yan Yang Yao-Zhong Lu Zhong-Ying ji Yu-Xiong Guo Xiao-Long Wang Qiao-Sheng Pu State Key Laboratory of Applied Organic Chemistry College of Chemistry and Chemical EngineeringLanzhou UniversityLanzhou730000China State Key Laboratory of Solid Lubrication Lanzhou Institute of Chemical PhysicsLanzhou730000China Lanzhou Traditional Chinese Medicine Hospital of Orthopedics and Traumatology Lanzhou730000China Shandong Laboratory of Advanced Materials and Green Manufacturing at Yantai Yantai Zhongke Research Institute of Advanced Materials and Green Chemical EngineeringYantai264006China

Inkjet 3D printing has potential in the additive manufacturing of electronic circuits and ***,inks that can be used for printing layers with T5%>300℃ or hardness>200 MPa have been rarely *** ester(CE)polymers have excellent thermal stability,high strength,and low shrinkage compared to other common dielectric inks for inkjet 3D printing,but cannot be quickly shaped by ultraviolet(UV)irradiation or thermal *** CEs with UV-curable monomers may be a possible way to accelerate crosslinking,but there are challenges from the adverse effects of the dilution of both *** this study,dielectric inks with acrylate and cyanate moieties were *** low viscosity and surface tension of the CE precursor(Bisphenol E cyanate ester)were combined with photocurable acrylate diluent monomers and cross-linker to realize an ink suitable for inkjet 3D *** internal dual three-dimensional cross-linked network structure resin was prepared by a combination of photocuring and thermal curing with T5%up to 326.69℃,hardness up to 431.84 MPa,dielectric constant of 2.70 at 8 GHz,and shrinkage of 1.64%.The developed dielectric inks can be applied to the 3D printing of printed circuit boards and other electronic devices that require dielectric properties.

关键词： Inkjet printing Cyanate ester resin 3D doubly cross-linked network Good thermal stability

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The anti-inflammatory effects of exercise on autoimmune diseases:A 20-year systematic review

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Journal of Sport and Health Science 2024年第3期13卷 353-367,I0001页

作者： Beibei Luo Dao Xiang Xiaorong ji xuan Chen Rui Li Shuxin Zhang Yujun Meng David C.Nieman Peijie Chen School of Exercise and Health Shanghai University of SportShanghai 200438China Shanghai Key Laboratory of Human Performance Shanghai University of SportShanghai 200438China Department of Diving and Hyperbaric Medicine Naval Medical CenterShanghai 200433China National Key Laboratory of Immunity and Inflammation Naval Medical UniversityShanghai 200433China Human Performance Laboratory Appalachian State UniversityNorth Carolina Research CampusKannapolisNC 28081USA Research Institute for Doping Control Shanghai University of SportShanghai 200438China

Background:The anti-inflammatory effect of exercise may be an underlying factor in improving several autoimmune *** aim of this systematic review was to examine the evidence on the role of exercise training in mitigating inflammation in adolescents and adults with autoimmune ***:PubMed,Web of Science,and Embase databases were systematically reviewed for related studies published between January 1,2003,and August 31,*** randomized and non-randomized controlled trials of exercise interventions with autoimmune disease study participants that evaluated inflammation-related biomarkers were *** quality of evidence was assessed using the Tool for the assEssment of Study qualiTy and reporting in EXercise scale and Cochrane bias risk ***:A total of 14,565 records were *** screening the titles,abstracts,and full texts,87 were eligible for the systematic *** studies were conducted in 25 different countries and included a total of 2779 participants(patients with autoimmune disease,in exercise or control groups).Overall,the evidence suggests that inflammation-related markers such as C-reactive protein,interleukin 6,and tumor necrosis factor a were reduced by regular exercise *** exercise interventions combined with multiple exercise modes were associated with greater ***:Regular exercise training by patients with autoimmune disease exerts an anti-inflammatory *** systematic review provides support for the promotion and development of clinical exercise intervention programs for patients with autoimmune *** patients with autoimmune disease can safely adopt moderate exercise training protocols,but changes in inflammation biomarkers will be modest at *** exercise interventions are ineffective or even modestly but transiently pro-inflammatory.

关键词： Autoimmune diseases Cytokines Inflammation Physical activity Training

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Boron nitride microribbons strengthened and toughened alumina composite ceramics with excellent mechanical,dielectric,and thermal conductivity properties

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Journal of Advanced Ceramics 2024年第4期13卷 496-506页

作者： jilin Wang Dongping Lu Weiping xuan Yuchun ji Ruiqi Chen Shaofei Li Wenbiao Li Wenzhuo Chen Shilin Tang Guoyuan Zheng Fei Long Guangxi Key Laboratory of Optical and Electronic Materials and Devices Collaborative Innovation Center for Exploration of Nonferrous Metal Deposits and Efficient Utilization of ResourcesSchool of Materials Science and EngineeringGuilin University of TechnologyGuilin 541004China Key Laboratory of New Processing Technology for Nonferrous Metals and Materials of Ministry of Education Guilin University of TechnologyGuilin 541004China School of Materials Science and Engineering Peking UniversityBeijing 100871China Department of Civil and Environmental Engineering The Hong Kong Polytechnic UniversityKowloon 999077Hong KongChina

Aluminum oxide(Al_(2)O_(3))ceramics have been widely utilized as circuit substrates owing to their exceptional *** this study,boron nitride microribbon(BNMR)/Al_(2)O_(3)composite ceramics are prepared using spark plasma sintering(SPS).This study examines the effect of varying the amount of toughened phase BNMR on the density,mechanical properties,dielectric constant,and thermal conductivity of BNMR/Al_(2)O_(3)composite ceramics while also exploring the mechanisms behind the toughening and increased thermal conductivity of the fabricated *** results showed that for a BNMR content of 5 wt%,BNMR/Al_(2)O_(3)composite ceramics displayed more enhanced characteristics than pure Al_(2)O_(3)*** particular,the relative density,hardness,fracture toughness,and bending strength were 99.95%±0.025%,34.11±1.5 GPa,5.42±0.21 MPa·m^(1/2),and 375±2.5 MPa,*** values represent increases of 0.76%,70%,35%,and 25%,respectively,compared with the corresponding values for pure Al_(2)O_(3)***,during the SPS process,BNMRs are subjected to high temperatures and pressures,resulting in the bending and deformation of the Al_(2)O_(3)matrix;this leads to the formation of special thermal pathways within *** dielectric constant of the composite ceramics decreased by 25.6%,whereas the thermal conductivity increased by 45.6%compared with that of the pure Al_(2)O_(3)*** results of this study provide valuable insights into ways of enhancing the performance of Al_(2)O_(3)-based ceramic substrates by incorporating novel BNMRs as a second *** improvements are significant for potential applications in circuit substrates and related fields that require high-performance materials with improved mechanical properties and thermal conductivities.

关键词： boron nitride microribbons/aluminum oxide(BNMRs/Al_(2)O_(3))composite ceramics boron nitride microribbon(BNMR) spark plasma sintering(SPS) strengthening and toughening thermal conductivity

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Copper-catalyzed enantioselective desymmetrizing C(sp^(2))-H functionalization of azide-ynamides via α-imino copper carbenes

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Science China Chemistry 2024年第9期67卷 2982-2988页

作者： En-He Huang Li-Gao Liu You-Wei Yin Hao-xuan Dong ji-jia Zhou Xin Lu Bo Zhou Long-Wu Ye Key Laboratory for Chemical Biology of Fujian Province and State Key Laboratory of Physical Chemistry of Solid Surfaces College of Chemistry and Chemical EngineeringXiamen UniversityXiamen 361005China State Key Laboratory of Organometallic Chemistry Shanghai Institute of Organic ChemistryChinese Academy of SciencesShanghai 200032China

α-Imino metal carbenes are versatile intermediates in organic synthesis,and have broad applications in the assembly of divergent ***,the catalytic enantioselective desymmetrization based onα-imino metal carbenes has not been developed to ***,we disclose an enantioselective desymmetrizing C(sp^(2))-H functionalization of azide-ynamides viaα-imino copper carbenes,leading to the efficient assembly of divergent chiral indoloazepines in generally moderate to excellent yields with high ***,this reaction represents the first enantioselective desymmetrization based onα-imino metal *** synthetic transformations and biological tests show the potential utility of this ***,computational studies are employed to elucidate the reaction mechanism and the origin of enantioselectivity.

关键词： enantioselective desymmetrization metal carbenes copper catalysis nitrene transfer alkynes

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Regulating Actuations and Shapes of Liquid Crystal Elastomers through Combining Dynamic Covalent Bonds with Cooling-Rate-Mediated Control

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Chinese Journal of Polymer Science 2024年第10期42卷 1442-1448,I0008页

作者： Ya-Wen Liu Huan Liang Hong-Tu Xu En-jian He Zhi-Jun Yang Yi-xuan Wang Yen Wei Zhen Li Yan ji The Key Laboratory of Bioorganic Phosphorus Chemistry&Chemical Biology(Ministry of Education) Department of ChemistryTsinghua UniversityBeijing100084China Advanced Materials and Energy Center Academy of Aerospace Science and InnovationBeijing100088China

Realizing multiple locked shapes in pre-oriented liquid crystal elastomers(LCEs)is highly desired for diversifying deformations and enhancing ***,conventional LCEs only deform between two shapes for each actuation cycle upon liquid crystal-isotropic phase transitions induced by external ***,we propose to regulate the actuation modes and the locked shapes of a pre-orientated epoxy LCE by combining dynamic covalent bonds with cooling-rate-mediated *** actuation modes can be adjusted on demand by exchange reactions of dynamic covalent *** from the established actuation modes,such as elongation,bending,and spiraling,the epoxy LCE displays varied locked shapes at room temperature under different cooling *** mediums are utilized to control the cooling rate,including water,silicone oil,and copper *** approach provides a novel way for regulating the actuation modes and locked shapes of cuttingedge intelligent devices.

关键词： Liquid crystal elastomer Epoxy Dynamic covalent bond Vitrimer Cooling rate

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