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Electronic structure regulation and built-in electric field synergistically strengthen photocatalytic nitrogen fixation performance on Ti-BiOBr/TiO_(2)heterostructure

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Rare Metals 2024年第3期43卷 1125-1138页

作者： Ru-Qi Li Yu-Jie Bian chun-Ming yang Li Guo Tao-xia Ma Chuan-Tao Wang Feng Fu Dan-Jun Wang College of Chemistry and Chemical Engineering Yan’an UniversityYan’an Key Laboratory of Green Catalysis and Quality Improvement and Utilization of Low Rank CoalYan’an716000China

At present,industrial synthetic ammonia was still obtained through the Hubble-Bosch process,with large energy *** is a research hotspot to realize green synthetic ammonia by using solar *** difficulty of photocatalytic ammonia synthesis was that the photo-excited electrons have not enough energy to active N≡*** this study,Ti was doped into BiOBr by one-step hydrothermal method,which was oxidized into TiO_(2)when the doping amount reaches the maximum,in situ forming Ti_(0.31)B_(0.69)OB/TiO_(2)*** from the synergistic effect of Ti doping and S-scheme heterojunction,the synthetic ammonia efficiency of Ti_(0.31)B_(0.69)OB/TiO_(2)-11.96 reached 1.643 mmol·g_(cat)^(-1)at mild conditions and without hole scavenger for up to 7 h,the efficiency of synthetic ammonia is 115 times,10.5 times and 3.3 times of that of BiOBr,Ti_(0.31)B_(0.69)OB and TiO_(2),***,DFT calculation confirms that Ti doping accurately refine the electronic structure of BiOBr,facilitate nitrogen adsorption activation and reduce hydrogenation reaction energy barrier,thus accelerating the reaction kinetics of photocatalytic nitrogen reduction(NRR),Meanwhile,constructing S-scheme heterojunction boosts the separation and transfer of photogenerated electron-hole pairs,improving the reduction ability of electrons in the conduction band of TiO_(2)and the oxidation ability of holes in the valence band of Ti_(0.31)B_(0.69)OB.

关键词： S-scheme heterostructure Electronic structure regulation Built-in electric field Synergistical stren4gthening Photocatalytic nitrogen fixation

Optimal timing of invasive intervention for high-risk non-ST-segment-elevation myocardial infarction patients

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Journal of Geriatric Cardiology 2024年第8期21卷 807-815页

作者： Juan-Juan ZHENG Yue-Qiao SI Tian-yang xia Bing-Jun LU chun-Yu ZENG Wei-Eric WANG Department of Geriatrics Southwest HospitalThird Military Medical UniversityChongqingChina Department of Cardiology Daping HospitalThird Military Medical UniversityChongqingChina

OBJECTIVE To compare the immediate,early,and delayed percutaneous coronary intervention(PCI)strategies in non-ST-segment-elevation myocardial infarction(NSTEMI)patients with *** Medical records of patients treated at the Daping Hospital,Third Military Medical University,Chongqing,China between 2011 and 2021 were retrospectively *** patients with complete available information were *** patients assigned into three groups based on the timing of PCI including immediate(<2 h),early(2–24 h)and delayed(≥24 h)*** Cox hazards regression and simpler nonlinear models were *** A total of 657 patients were included in the *** median follow-up length was 3.29(interquartile range:1.45–4.85)*** PCI strategy improved the major adverse cardiac event(MACE)outcome compared to the immediate or delayed PCI *** PCI,diabetes mellitus,and left main or/and left anterior descending or/and left circumflex stenosis or/and right coronary artery≥99%were predictors for MACE *** optimal timing range for PCI to reduce MACE risk is 3–14 h *** high-risk NSTEMI patients,early PCI reduced primary clinical outcomes compared to immediate or delayed PCI,and the optimal timing range was 3–14 h *** PCI was superior for NSTEMI with chronic kidney *** Delayed invasive strategy was helpful to reduce the incidence of MACE for high-risk NSTEMI with chronic kidney *** immediate PCI strategy might increase the rate of MACE.

关键词： patients infarction Chongqing

Computational Screening of Pt1@Ti_(3)C_(2)T_(2)(T=O,S)MXene Catalysts for Water-Gas Shift Reaction

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Precision Chemistry 2024年第2期2卷 70-80页

作者： yang Meng Haiyan Wang Jin-xia Liang chun Zhu Jun Li School of Chemistry and Chemical Engineering Guizhou UniversityGuiyang 550025China Department of Chemistry and Guangdong Provincial Key Laboratory of Catalytic Chemistry Southern University of Science and TechnologyShenzhen 518055China Department of Chemistry and Engineering Research Center of Advanced Rare-Earth Materials of Ministry of Education Tsinghua UniversityBeijing 100084China

Single-atom catalysts(SACs)provide an oppor-tunity to elucidate the catalytic mechanism of complex reactions in heterogeneous *** low-temperature water-gas shift(WGS)reaction is an important industrial technology to obtain high purity ***,we study the catalytic activity of Pt1@Ti_(3)C_(2)T_(2)(T=O,S)SACs,where one subsurface Ti atom with three T vacancies in the functionalized Ti_(3)C_(2)T_(2)(T=O,S)MXene is substituted by one Pt atom,for the low-temperature show that Pt1@Ti_(3)C_(2)T_(2)provides an excellent platform for the WGS reaction by its bowl-shaped vacancy derived from the Pt1 single atom and three T defects surrounding ***,Pt1@Ti_(3)C_(2)S_(2)SAC has higher catalytic performance for the WGS reaction,due to the weaker electronegativity of the S atom than the O atom,which significantly reduces the energy barrier of H*migration in the WGS reaction,which is often the rate-determining *** the most favorable redox mechanism of the WGS reaction on Pt1@Ti_(3)C_(2)S_(2),the rate-determining step is the dissociation of OH*into O*and H*with the energy barrier as low as 1.12 *** results demonstrate that Pt1@Ti_(3)C_(2)S_(2)is promising in the application of MXenes for low-temperature WGS reactions.

关键词： single-atom catalyst(SAC) density functional theory(DFT) water gas shift(WGS)reaction defective MXene thermocatalysis

Time-resolved ultra-small-angle X-ray scattering beamline(BL10U1)at SSRF

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Nuclear Science and Techniques 2024年第2期35卷 6-19页

作者： Wen-Qiang Hua chun-Ming yang Ping Zhou Feng Tian Jin-You Lin Yu-Zhu Wang xiao-Yun Li xia-Ran Miao chun-xia Hong Qiu-Shi Huang Xin-Tong Zhao Yong-Feng Men Jie Wang Xing-Yu Gao Xiu-Hong Li Shanghai Synchrotron Radiation Facility Shanghai Advanced Research InstituteChinese Academy of SciencesShanghai 201204China Key Laboratory of Advanced Micro Structural Materials MOEInstitute of Precision Optical EngineeringSchool of Physics Science and EngineeringTongji UniversityShanghai 200092China State Key Laboratory of Polymer Physics and Chemistry Changchun Institute of Applied ChemistryChinese Academy of SciencesChangchun 130022China

The construction of a new beamline,BL10U1,was completed at the Shanghai synchrotron radiation facility in *** multipurpose beamline was designed to provide X-ray scattering techniques such as ultra-small-angle X-ray scattering(USAXS),small-angle X-ray scattering(SAXS),wide-angle X-ray scattering,and microfocus SAXS(μSAXS)for a broad user *** realize fast time-resolved USAXS experiments,the beamline adopted an in-vacuum undulator with a total length of 1.6 m as the photon *** in-house cryogenic-cooled double multilayer monochromator was installed to deliver a photon flux of approximately 10^(13) photons/s at a photon energy of 10 *** three-year successful operation of this beamline demonstrated that the monochromator operated smoothly,as ***10U1 has three end stations in succession:USAXS end station,μSAXS end station,and end station for industrial *** minimum scattering vector q~0.0042 nm^(-1) at 10 keV can be achieved at the USAXS end station equipped with a 28 m-long and 1.8 m-diameter vacuum flight *** theμSAXS end station,a beam spot of less than 10×8μm was achieved for micro-SAXS *** contrast,in situ experimental instruments up to 5 m high and 8 m wide can be mounted at the industrial application end station,which offers industrial scientists the opportunity to use their large industrial ***10U1 opens up a new capability to investigate phenomena such as non-equilibrium and dynamic processes of materials with a wide length scale from angstroms to micrometers with millisecond time *** this paper,we also report beamline design considerations and commissioning results.

关键词： Synchrotron radiation Ultra-small-angle X-ray scattering Micro small-angle X-ray scattering USAXS Time resolved μSAXS

Electroacupuncture at Sensitized Acupoints Relieves Somatic Referred Pain in Colitis Rats by Inhibiting Sympathetic-Sensory Coupling to Interferewith 5-HT Signaling Pathway

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Chinese Journal of Integrative Medicine 2024年第2期30卷 152-162页

作者： yang Ying QU Jin-yu GUO Hua ZHOU Hai-ying RUAN xia PENG Ying-chun SHEN Xue-fang XIONG Jin WANG Yi-li School of Clinical Medicine Chengdu Medical CollegeChengdu(610500)China Department of Rehabilitation Medicine the First Affliated Hospital of Chengdu Medical CollegeChengdu(610500)China Department of Rehabilitation Medicine West China HospitalSichuan University/West China School of NursingSichuan UniversityChengdu(610041)China Department of Neurology the First Affiliated Hospital of Chengdu Medical CollegeChengdu(610500)China

Objective:To investigate whether electroacupuncture(EA) at sensitized acupoints could reduce sympathetic-sensory coupling(SSC) and neurogenic inflammatory response by interfering with 5-hydroxytryptamine(5-HT)ergic neural pathways to relieve colitis and somatic referred pain,and explore the underlying ***:Rats were treated with 5% dextran sodium sulfate(DSS) solution for 7 days to establish a colitis *** rats were randomly divided into the control and model groups according to a random number table(n=6).According to the Research on Rat Acupoint Atlas",sensitized acupoints and non-sensitized acupoints were *** were randomly divided into the control,model,Zusanli-EA(ST 36),Dachangshu-EA(BL 25),and Xinshu(BL 15) groups(n=6),as well as the control,model,EA,and EA+GR113808(a 5-HT inhibitor)groups(n=6).The rats in the control group received no *** was administered on 2 days after modeling using the stimulation pavameters:1 mA,2 Hz,for 30 min,with sparse and dense waves,for 14 consecutive ***113808 was injected into the tail vein at 5 mg/kg before EA for 10 min for 7 consecutive *** sensitivity was assessed with von Frey *** weight and disease activity index(DAI) scores of rats were *** and eosin staining was performed to observe colon *** was analyzed by immunofluorescence *** staining was performed to detect 5-HT and substance P(SP) *** calcitonin gene-related peptide(CGRP) in skin tissue and tyrosine hydroxylase(TH) protein levels in DRG were detected by Western *** levels of hyaluronic acid(HA),bradykinin(BK),prostaglandin I2(PGI2) in skin tissue,5-HT,tryptophan hydroxylase 1(TPH1),serotonin transporters(SERT),5-HT 3 receptor(5-HT3R),and 5-HT 4 receptor(5-HT4R) in colon tissue were measured by enzyme-linked immunosorbent assay(ELISA).Results:BL 25 and ST 36 acupoints were determined as sensitized acupoints,and BL 1

关键词： electroacupuncture sensitized acupoints sympathetic-sensory coupling 5-hydroxytryptamine neurogenic inflammation somaticreferredpain

Two gene clusters and their positive regulator SlMYB13 that have undergone domestication-associated negative selection control phenolamide accumulation and drought tolerance in tomato

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Molecular Plant 2024年第4期17卷 579-597页

作者： Peng Cao Jun yang Linghao xia Zhonghui Zhang Zeyong Wu Yingchen Hao Penghui Liu Chao Wang chun Li Jie yang Jun Lai xianggui Li Meng Deng Shouchuang Wang School of Breeding and Multiplication(Sanya Institute of Breeding and Multiplication) Hainan UniversitySanya 572025China College of Tropical Agriculture and Forestry Hainan UniversityHaikou 572208China Collaborative Innovation Center of Nanfan and High-Efficiency Tropical Agriculture Hainan UniversityHaikou 572208China

Among plant metabolites,phenolamides,which are conjugates of hydroxycinnamic acid derivatives and polyamines,play important roles in plant adaptation to abiotic and biotic ***,the molecular mechanisms underlying phenolamide metabolism and regulation as well as the effects of domestication and breeding on phenolamide diversity in tomato remain largely *** this study,we performed a metabolite-based genome-wide association study and identified two biosynthetic gene clusters(BGC7 and BGC11)containing 12 genes involved in phenolamide metabolism,including four biosynthesis genes(two 4CL genes,one C3H gene,and one CPA gene),seven decoration genes(five AT genes and two UGT genes),and one transport protein gene(DTX29).Using gene co-expression network analysis we further discovered that SlMYB13 positively regulates the expression of two gene clusters,thereby promoting phenolamide *** and physiological analyses showed that BGC7,BGC11 and SlMYB13 enhance drought tolerance by enhancing scavenging of reactive oxygen species and increasing abscisic acid content in *** variation analysis suggested that BGC7,BGC11 and SlMYB13 were negatively selected during tomato domestication and improvement,leading to reduced phenolamide content and drought tolerance of cultivated ***,our study discovers a key mechanism of phenolamide biosynthesis and regulation in tomato and reveals that crop domestication and improvement shapes metabolic diversity to affect plant environmental adaptation.

关键词： tomato phenolamides gene cluster drought tolerance natural variation evolution

Prediction model on hydrolysis kinetics of phthalate monoester:A density functional theory study

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Journal of Environmental Sciences 2024年第1期135卷 51-58页

作者： Tong Xu Jingwen Chen Deming xia Weihao Tang Jiansheng Cui chun Liu Shuangjiang Li College of Environmental Science and Engineering Hebei University of Science and TechnologyShijiazhuang 050000China Key Laboratory of Industrial Ecology and Environmental Engineering(Ministry of Education) School of Environmental Science and TechnologyDalian University of TechnologyDalian 116024China National-Regional Joint Engineering Research Center for Soil Pollution Control and Remediation in South China Guangdong Key Laboratory of Integrated Agro-environmental Pollution Control and ManagementInstitute of Eco-environmental and Soil SciencesGuangdong Academy of SciencesGuangzhou 510650China

As primary degradation products of phthalate esters,phthalate monoesters(MPEs)have been widely detected in various aquatic environments and drawn growing toxicological *** kinetics that is of importance for assessing environmental persistence of chemicals remain elusive for ***,kinetics of base-catalyzed and neutral hydrolysis for 18 MPEs with different leaving groups was investigated by density functional theory *** indicate that MPEs with leaving groups having p Kaof<10 prefer dissociative transition *** are more persistent than their parents,and their hydrolysis half-lives were calculated to vary from 3.4 min to 79.2 years(p H=7–9).A quantitative structure-activity relationship model was developed for predicting the hydrolysis kinetics *** was found that p Kaof the leaving groups and electronegativity of the MPEs are key factors determining the hydrolysis *** work may lay a theoretical foundation for better understanding the chemical process that governs MPE persistence in aquatic environments.

关键词： Phthalate monoesters Phthalate esters Hydrolysis Density functional theory Quantitative structure-activity relationship

Theoretical and experimental investigations on single-atom catalysis:Pt_(1)/FeO_(x) for water-gas shift reaction

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Nano Research 2024年第9期17卷 8627-8637页

作者： Shan-Fei Wang yangyang Li Haiyan Wang Jin-xia Liang chun Zhu Botao Qiao School of Chemistry and Chemical Engineering Guizhou UniversityGuiyang 550025China CAS Key Laboratory of Science and Technology on Applied Catalysis Dalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023China University of Chinese Academy of Sciences Beijing 100049China

Oxide-supported metal single-atom catalysts(SACs)have exhibited excellent catalytic performance for water-gas shift(WGS)***,we report the single-atom catalyst Pt1/FeOx exhibits excellent medium temperature catalytic performance for WGS reactions by the density functional theory(DFT)calculations and experimental *** calculations indicate that H_(2)O molecules are easily dissociated at oxygen vacancies,and the formed*OH and*O are adsorbed on Pt1 single atoms and the adjacent O atoms,*** studying four possible reaction mechanisms,it is found that the optimal WGS reaction pathway is proceeded along the carboxyl mechanism(pathway III),in which the formation of*COOH intermediates can promote the stability of Pt_(1)/FeO_(x) SAC and the easier occurrence of WGS *** energy barrier of the rate-determining step during the entire reaction cycle is only 1.16 eV,showing the high activity for the medium temperature WGS reaction on Pt_(1)/FeO_(x) SAC,which was verified by experimental ***,the calculated turnover frequencies(TOFs)of CO_(2)and H_(2)formation on Pt1/FeOx at 610 K(337℃)can reach up to 1.14×10^(-3)s^(-1)·site^(-1)through carboxyl *** this work,we further expand the application potential of Pt1/FeOx SAC in WGS reaction.

关键词： water-gas shift(WGS)reaction single-atom catalyst(SAC) density functional theory(DFT) thermocatalysis

Cost-benefit analysis of screening for esophageal and gastric cardiac cancer

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Chinese Journal of Cancer 2011年第3期30卷 213-218页

作者： Wen-Qiang Wei chun-xia yang Si-Han Lu Juan yang Bian-Yun Li Shi-Yong Lian You-Lin Qiao Department of Epidemiology Cancer Hospital (Institute) Chinese Academy of Medical Science & Peking Union Medical College Beijing 100021 P. R. China Department of Epidemiology West China School of Public Health Sichuan University Chengdu Sichuan 610041 P. R. China Department of Epidemiology Linzhou Cancer Hospital. Linzhou. Henan 456592. P. R. China.

In 2005, a program named "Early Detection and Early Treatment of Esophageal and Cardiac Cancer" (EDETEC) was initiated in China. A total of 8279 residents aged 40-69 years old were recruited into the EDETEC program in Linzhou of Henan Province between 2005 and 2008. Howerer, the cost-benefit of the EDETEC program is not very clear yet. We conducted herein a cost-benefit analysis of screening for esophageal and cardiac cancer. The assessed costs of the EDETEC program included screening costs for each subject, as well as direct and indirect treatment costs for esophageal and cardiac severe dysplasia and cancer detected by screening. The assessed benefits of this program included the saved treatment costs, both direct and indirect, on esophageal and cardiac cancer, as well as the value of prolonged life due to screening, as determined by the human capital approach. The results showed the screening cost of finding esophageal and cardiac severe dysplasia or cancer ranged from $2707 to $4512, and the total cost on screening and treatment was $13 115-$14 920. The cost benefit was $58 944-$155 110 (the saved treatment cost, $17 730, plus the value of prolonged life, $41 214-$137 380). The ratio of benefit-to-cost (BCR) was 3.95-11.83. Our results suggest that EDETEC has a high benefit-to-cost ratio in China and could be instituted into high risk areas of China.

关键词：成本效益分析筛选检测食管癌贲门癌早期治疗胃癌人生价值总费用