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nano Research 2024年第4期17卷 2360-2367页

作者： Xiao-Yan Li Manyi Duan Pengfei ou Department of Electrical and Computer Engineering University of TorontoTorontoOntario M5S 1A4Canada School of Physics and Electronic Engineering Sichuan Normal UniversityChengdu 610101China Department of Chemistry Northwestern UniversityEvanstonIL 60208USA

The discovery of metal-nitrogen centers as the active sites for electrolysis has aroused significant interest in utilizing single-atom catalysts for nitrogen reduction reaction(nRR).Properly designed nanostructured catalysts that strongly interact with nitrogen molecules(n_(2))can promote adsorption and activation,thereby resulting in efficient catalysts with high stability,activity,and *** this study,using density functional theory calculations,we selected monolayer black phosphorus(BP)as the substrate and screened a series of single-atom transition metals confined in tri-coordinated and tetra-coordinated active centers(without and with n dopants)to electro-catalyze *** a result,we have identified two promising candidates(Hf_(1)-n_(1)P_(2)-1 and Tc_(1)-n_(4)),which exhibit not only low overpotentials of 0.56 and 0.49 V but also high thermodynamic and electrochemical stability,as well as good selectivity towards nRR over the competing hydrogen evolution *** also demonstrate the ability of Hf_(1)-n_(1)P_(2)-1 and Tc_(1)-n_(4) to activate and hydrogenate n_(2) by donating electrons and regulating charge *** study not only predicts new BP-based promising catalysts but also provides guidance for the rational design of high-performance nRR electrocatalysts under ambient conditions.

关键词： n_(2) electroreduction reaction single-atom catalysts black phosphorus density functional theory high-throughput calculations

Luminescence and magnetic properties of bifunctional nanoparticles composited by nitrogen-doped graphene quantum dots and gadolinium

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Journal of Rare Earths 2024年第4期42卷 716-723页

作者： Wanli Zhang Hao Zhou Meigui ou Donghao Sun Chunlin Yang College of Materials and Metallurgy University of GuizhouGuiyang550025China national Local Co-construction Engineering Laboratory for High Performance Metal Structure Material and Manufacture Technology Guiyang550025 China College of Chemistry and Materials Engineering Guiyang UniversityGuiyang550003China

In this paper,nitrogen-doped graphene quantum dots(n-GQDs)were combined with gadolinium ions(Gd^(3+))by a surface modification to obtain magneto-optical dual-functional n-GQDs/Gd^(3+)*** morphology of obtained composite was characterized by field emission scanning electron microscopy and transmission electron *** and magnetic properties were measured by a fluorescence spectrophotometer and a vibrating sample magnetometer,*** indicate that well-dispersed spherical n-GQDs/Gd^(3+)nanoparticles have an average diameter of 7 nm.n-doping significantly increases the luminesce nce of particles with an optimal luminescence intensity at 20℃and pH=9.X-ray photoelectron spectroscopy results indicate that the n-doping introduces pyrrolic n as an electron donor,enhancing fluorescence by increasing the surface electron cloud density of *** addition,density functional theory calculation results reveal that n-doping reduces the band gap of nGQDs/Gd^(3+),enabling electronic transitions to higher energy levels and generating more activation sites,thereby enhancing *** to n-GQDs/Gd^(3+)prepared at 20℃,the saturated magnetization of particles prepared at 40℃is 0.85 emu/g,indicating a better magnetic *** above results suggest that bifunctional nanomaterials n-GQDs/Gd^(3+)with excellent optical properties and magnetism can be better used for fluorescence and magnetic resonance imaging.

关键词： nitrogen-doped graphenequantum dots Gadolinium Luminescence Magnetism Rare earths

Electrocatalytic performance of CnTs/graphene composited rare earth phthalocyanines(M=La,Y,Yb,Sc)

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Journal of Rare Earths 2024年第2期42卷 323-333,I0004页

作者： Tingting Jiang Caixia ou Luyi Wang Jun Chen Sydorov Dmytro Qian Zhang Jintian Luo Hua Wang Jiangxi Key Laboratory of Power Batteries and Materials Faculty of Materials Metallurgy and ChemistryJiangxi University of Science and TechnologyGanzhou341000China Joint Department of Electrochemical Energy Systems Institute of Bioorganic Chemistry and PetrochemistryNational Academy of Sciences of Ukraine38A VernadskyAveKiev03142Ukraine Guangdong Jiana Energy Technology Co. Ltd.Qingyuan511500China

In this study,a class of rare earth composite sandwich phthalocyanines(MPcs,M=La,Y,Yb,Sc) were prepared and compounded with graphene and carbon nanotubes to obtain MPc/Gr and MPc/CnTs *** electrocatalytic behaviors of MPc/Gr and MPc/CnTs electrodes were further *** results show that the central rare earth metal has a large influence on the electrocatalytic *** the MPcs/Gr samples,ScPc with the smallest ionic radius and molecular size can be more uniformly dispersed in graphene,and the hydrogen precipitation overpotential of ScPc/Gr electrode is514 mV,corresponding to a Tafel slope of 148 mV/dec,with better electrocatalytic performance than other rare earth metal *** for the MPc/CnTs composites,LaPc,which has the largest ionic radius and molecular size,is more uniformly dispersed on the surface of CnTs,so that the LaPc/CnT electrode exhibits the best LSV performance with the smallest corresponding Tafel slope(176 mV/dec).The main reason is the different binding modes of MPcs molecules in Gr and *** rare earth phthalocyanine is combined with layered graphene,the smallest size of rare earth phthalocyanine(ScPc)is more easily embedded in the graphene layer,resulting in better homogeneity of the composite,larger effective contact area and better electrocatalytic *** contrast,when rare earth phthalocyanine is bound to carbon nanotubes in a tubular structure,it is mainly bound by attaching to the surface or being entangled by the carbon *** this case,the rare-earth phthalocyanine molecules(LaPc)with larger layer spacing can provide more contact area with CnTs,forming a more uniform and effective composite,which eventually provides more active sites and better electrocatalytic performance.

关键词： Electrocatalysis Rare earth phthalocyanines Graphene(Gr) Carbon nanotubes(CnTs) Composite

π-conjugated chromophore functionalized high-nuclearity titanium-oxo clusters containing structural unit of anatase for photocatalytic selective oxidation of sulfides

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Rare Metals 2024年第4期43卷 1736-1746页

作者： Ling-Rong Liao Dong-Chun Zheng Pin-Xi ou Qi-Xin Zhao Wei-Min Xuan Qi Zheng State Key Laboratory for Modification of Chemical Fibers and Polymer Materials&College of Materials Science and Engineering Donghua UniversityShanghai201620China State Key Laboratory for Modification of Chemical Fibers and Polymer Materials and College of Chemistry and Chemical Engineering Donghua UniversityShanghai 201620China

n-doping has significant influence in manipulating the properties of TiO_(2),and this has stimulated the development of n-donor-functionalized titanium-oxo clusters(TOCs)as molecular models to study the structure-property ***,the structural type and photoresponsive application are still limited for such TOCs,especially regarding the high-nuclearity TOCs that contain structure unit of TiO_(2)for ***,we showed the synthesis of a series of high-nuclearity TOCs 1-3 compounds usingπ-conjugated 1,10-phenanthroline(phen)as chromophore and n-donor functional *** 1 features cocrystal structure composed of one[Ti_(26)]~(2+)and half[Ti_(22)]~(2+),which renders it as the first cocrystallized TOC containing two positively charged species and phen-functionalized TOC showing the highest nuclearity up to 37 Ti *** adjusting the synthetic conditions,the individual{Ti_(22)}and{Ti_(26)}clusters can also be isolated as Compounds 2 and 3,*** core structure of{Ti_(22)}is mainly constructed from four lacunary{Ti_(4)}derived from pentagonal{Ti(Ti)_5}unit,while{Ti_(26)}is built from four complete{Ti(Ti)_5}***,a{Ti_8O_(14)}structure unit of anatase TiO_(2)can be identified in{Ti_(26)}.Based on the unique structural features and proper photophysical and photochemical properties of Compounds 1-3,they are applied for photocatalytic *** to the presence of anatase structure unit in{Ti_(26)}and the synergistic effect from{Ti_(22)}and{Ti_(26)},the catalytic performance presents in the order of Compound 1>Compound 3>Compound *** work provides excellent models to understand the structureproperty relationship from the perspective of cocrystallization and Ti-O binding model and will further promote the application of TOCs as functional catalysts for organic transformation.

关键词： Titanium-oxo cluster Molecular model of anatase TiO_(2) High nuclearity π-conjugated chromophore Photocatalytic sulfoxidation

DeepSecE:A Deep-Learning-Based Framework for Multiclass Prediction of Secreted Proteins in Gram-negative Bacteria

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Research 2024年第3期2023卷 243-257页

作者： Yumeng Zhang Jiahao Guan Chen Li Zhikang Wang Zixin Deng Robin BGasser Jiangning Song Hong-Yu ou state Key Laboratory of Microbial Metabolism Joint International Laboratory on Metabolic&Developmental SciencesSchool of Life Sciences and BiotechnologyShanghai Jiao Tong UniversityShanghai 200240China Shanghai Key Laboratory of Veterinary Biotechnology Shanghai Jiao Tong UniversityShanghai 200240China Biomedicine Discovery Institute and Department of Biochemistry and Molecular Biology Monash UniversityMelbourneViC 3800Australia Monash Data Futures Institute Monash UniversityMelbourneViC 3800Australia Melbourne Veterinary School Faculty of ScienceThe University of MelbourneParkvilleVIC 3010Australia.

Proteins secreted by Gram-negative bacteria are tightly linked to the virulence and adaptability of these microbes to environmental *** identification of such secreted proteins can facilitate the investigations of infections and diseases caused by these bacterial ***,current bioinformatic methods for predicting bacterial secreted substrate proteins have limited computational efficiency and application scope on a genome-wide ***,we propose a novel deep-learning-based framework—DeepSecE—for the simultaneous inference of multiple distinct groups of secreted proteins produced by Gram-negative *** remarkably improves their classification from nonsecreted proteins using a pretrained protein language model and transformer,achieving a macro-average accuracy of 0.883 on 5-fold *** benchmarking suggests that DeepSecE achieves competitive performance with the state-of-the-art binary predictors specialized for individual types of secreted *** attention mechanism corroborates salient patterns and motifs at the n or C termini of the protein *** this pipeline,we further investigate the genome-wide prediction of novel secreted proteins and their taxonomic distribution across~1,000 Gram-negative bacterial *** present analysis demonstrates that DeepSecE has major potential for the discovery of disease-associated secreted proteins in a diverse range of Gram-negative *** online web server of DeepSecE is also publicly available to predict and explore various secreted substrate proteins via the input of bacterial genome sequences.

关键词： Deep server competitive

High-density lipoprotein regulates angiogenesis by affecting autophagy via miRnA-181a-5p

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Science China(Life Sciences) 2024年第2期67卷 286-300页

作者： Bi-Ang Kang Hua-Ming Li Ya-Ting Chen Meng-Jie Deng Yan Li Yue-Ming Peng Jian-Jun Gao Zhi-Wei Mo Jia-Guo Zhou Zhi-Jun ou Jing-Song ou Division of Cardiac Surgery Cardiovascular Diseases InstituteThe First Affiliated HospitalSun Yat-sen UniversityGuangzhou 510080China national-Guangdong Joint Engineering Laboratory for Diagnosis and Treatment of Vascular Diseases Guangzhou 510080China nHC key Laboratory of Assisted Circulation(Sun Yat-sen University) Guangzhou 510080China Guangdong Provincial Engineering and Technology Center for Diagnosis and Treatment of Vascular Diseases Guangzhou 510080China Division of Vascular Surgery The First Affiliated HospitalSun Yat-sen UniversityGuangzhou 510080China Department of Pharmacology Cardiac and Cerebral Vascular Research CenterZhongshan School of MedicineSun Yat-sen UniversityGuangzhou 510080China Division of Hypertension and Vascular Diseases Department of CardiologyCardiovascular Diseases InstituteThe First Affiliated HospitalSun Yat-sen UniversityGuangzhou 510080China Guangdong Provincial Key Laboratory of Brain Function and Disease Zhongshan School of MedicineSun Yat-sen UniversityGuangzhou 510080China

We previously demonstrated that normal high-density lipoprotein(nHDL)can promote angiogenesis,whereas HDL from patients with coronary artery disease(d HDL)is dysfunctional and impairs *** plays a critical role in angiogenesis,and HDL regulates ***,it is unclear whether n HDL and d HDL regulate angiogenesis by affecting *** cells(ECs)were treated with n HDL and d HDL with or without an autophagy ***,endothelial nitric oxide synthase(e nOS)expression,miRnA expression,nitric oxide(nO)production,superoxide anion(O2^(·-))generation,EC migration,and tube formation were evaluated.n HDL suppressed the expression of miR-181a-5p,which promotes autophagy and the expression of e nOS,resulting in nO production and the inhibition of O2^(·-)generation,and ultimately increasing in EC migration and tube formation.d HDL showed opposite effects compared to n HDL and ultimately inhibited EC migration and tube *** found that autophagy-related protein 5(ATG5)was a direct target of ***5 silencing or miR-181a-5p mimic inhibited n HDL-induced autophagy,e nOS expression,nO production,EC migration,tube formation,and enhanced O2^(·-)generation,whereas overexpression of ATG5 or miR-181a-5p inhibitor reversed the above effects of d ***5 expression and angiogenesis were decreased in the ischemic lower limbs of hypercholesterolemic low-density lipoprotein receptor null(LDLr^(-/-))mice when compared to C57BL/6 ***5 overexpression improved angiogenesis in ischemic hypercholesterolemic LDLr^(-/-)*** together,nHDL was able to stimulate autophagy by suppressing miR-181a-5p,subsequently increasing e nOS expression,which generated nO and promoted *** contrast,d HDL inhibited angiogenesis,at least partially,by increasing miR-181a-5p expression,which decreased autophagy and e nOS expression,resulting in a decrease in nO production and an increase in O2^(·-)*** findings reveal a nov

关键词： high-density lipoprotein angiogenesis autophagy ATG5 miRnA endothelial nitric oxide synthase

Increased glacier melt enhances future extreme floods in the southern Tibetan Plateau

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Advances in Climate Change Research 2024年第3期15卷 431-441页

作者： He SUn Tan-Dong YAO Feng-Ge SU Tinghai ou Zhihua HE Guoqiang TAnG Deliang CHEn State Key Laboratory of Tibetan Plateau Earth System Environment and Resources(TPESER)Institute of Tibetan Plateau ResearchChinese Academy of SciencesBeijing 100101China Regional Climate Group Department of Earth SciencesUniversity of GothenburgGothenburg 40530Sweden Centre for Hydrology University of SaskatchewanSaskatoon S7N 1K2Canada Climate and Global Dynamics National Center for Atmospheric ResearchBoulder CO 80307USA

Mountainous areas are of special hydrological concern because topography and atmospheric conditions can result in large and sudden floods,posing serious risks to water-related safety in neighbouring *** Yarlung Zangbo(YZ)River basin is the largest river basin on the Tibetan Plateau(TP),but how floods will discharge in this basin and how the role of glacier melt in floods will change throughout the 21st-century under shared socioeconomic pathways scenarios(SSP2-4.5 and SSP5-8.5)remain ***,we comprehensively address this scientific question based on a well-validated large-scale glacier-hydrology *** results indicate that extreme floods was projected to increase in the YZ basin,and was mainly reflected in increased duration(4–10 d per decade)and intensity(153–985 m^(3)s^(−1)per decade).Glacier runoff was projected to increase(2–30 mm per decade)throughout the 21st-century,but there was also a noticeable decrease or deceleration in glacier runoff growth in the late first half of the century under the SSP2-4.5,and in the latter half of the century under the *** melt was projected to enhance the duration(12%–23%)and intensity(15%–21%)of extreme floods under both SSPs,which would aggravate the impact of future floods on the socioeconomics of the YZ *** effect was gradually overwhelmed by precipitation-induced floods from glacier areas to YZ *** study takes the YZ basin as a projection framework example to help enrich the understanding of future flood hazards in basins affected by rainfall-or meltwater across the TP,and to help policy-makers and water managers develop future plans.

关键词： floods glacier Tibetan

Langmuir-Schaefer Film Investigation and Density Functional Theory Band Gap Calculations of Calix[n]arene-Para-Aminobenzoic Acid for Drug nanosensor Application

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Journal of Wuhan University of Technology(Materials Science) 2024年第5期39卷 1311-1318页

作者： WOnG Yeong Yi F L Supian A Radzwan M Musa n F n Abd Karim Department of Physics Sultan Idris Education UniversityTanjong Malim 35900Malaysia Department of Chemistry Sultan Idris Education UniversityTanjong Malim 35900Malaysia

Calix[n]arenes was utilized to detect PABA,the primary sunscreen *** study investigates the interaction of calix[4]arene(C4),calix[6]arene(C6),and PABA using the Langmuir method and first-principle density functional theory(DFT).Using the Langmuir-Schaefer(LS)technique,an ultrathin film composed of calix[n]arenes and their complexes with PABA was deposited on various *** on the Langmuir study,the PABA molecule was bonded to the lower rims of both C4 and C6 with the host-guest ratio of 1:*** of the LS films formed were then characterized by ultravioletvisible spectroscopy(UV-Vis),Fourier-transform infrared spectroscopy(FTIR)and carbon,hydrogen,nitrogen,sulfur elemental analyzer(CHnS).The band gap reduction obtained in the DFT study denotes the charge transfer interaction with promising reactivity between the calix[n]arenes and *** sensing of PABA by C4 and C6 is successful based on the formation of bonding between them due to the hosts’effective trapping *** outcomes of this study could be applied to drug delivery systems for future pharmaceutical and medical applications.

关键词： calix[n]arenes band gap density functional theory Langmuir-Schaefer PABA sensor

Epidemiology of Maternal Deaths from 2017 to 2022 in the Obstetrics and Gynaecology Department of the University Hospital of Tengandogo, Burkina Faso

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Open Journal of Obstetrics and Gynecology 2024年第9期14卷 1335-1346页

作者： Hien Dieudonné ouédraogo Emmanuel nacanabo Karim Toé Rolande Bouaré Sidy Yankéné Mamdata Kaboré Vincent Kain Dantola Paul ouédraogo Ali Gynaecology and Obstetrics Department of the Tengandogo University Hospital Ouagadougou Burkina Faso. Gynaecology and Obstetrics Department of Bogodogo University Hospital Ouagadougou Burkina Faso. Gynaecology-Obstetrics Department Yalgado Oudraogo University Hospital Ouagadougou Burkina Faso. Hospital Pharmacy Department of the Tengandogo University Hospital Ouagadougou Burkina Faso.

Background: Although maternal mortality is declining in most countries, it remains a significant public health problem worldwide, with high rates, particularly in developing and insecure countries like ours. Objective: To study the epidemiological factors and factors associated with the occurrence of maternal death in the Gynecology-Obstetrics Department of University Hospital of Tengandogo. Method: It was a retrospective case-control study with a descriptive and analytical purpose over a period of 6 years from January 1, 2017 to December 31, 2022. Cases were women with maternal deaths during the study period. Data processing and analysis were performed using Stata version 13 software. Univariate and multivariate analyses were performed with Stata version 13 software, and logistic regression modeling was used to estimate crude and adjusted odds ratios (OR), their 95% confidence intervals (CI), and the threshold for statistical significance was set at a p value 2 patients were included in the study, including 146 cases of maternal death. The in-hospital maternal mortality rate was 1933 deaths per 100,000 live births. The average age was 28.5 years. 58.9% of patients lived in rural areas. Married patients accounted for 88.7% of cases. The average parity was 3. Direct obstetrical causes were the main causes of death, accounting for 72.6%. They were dominated by post-partum hemorrhage (24.2%), puerperal infection (18.6%), pre-eclampsia/eclampsia (16.1%) and retroplacental hematoma (8.9%). Chronic anemia (12.9%) was the main indirect obstetric cause. Risk factors associated with maternal death were primiparity (OR for paucigravida and multigravida at 0.05;P = 0.001);ambulance transport (OR for patients referred and brought in by personal vehicle = 0.3, p nd vaginal delivery (OR for cesarean deliveries = 0.4, p nclusion: To reduce maternal mortality in Burkina Faso, strategies such as educating women about danger signs d

关键词： Maternal Death Epidemiology Associated Factors University Hospital of Tengandogo

Role of feline AnP32 proteins in regulating polymerase activity of influenza A virus

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Journal of Integrative Agriculture 2024年第9期23卷 3145-3158页

作者： Gang Lu Feiyan Zheng Yuqing Xiao Ran Shao Jiajun ou Xin Yin Shoujun Li Guihong Zhang College of Veterinary Medicine South China Agricultural UniversityGuangzhou 510642China State Key Laboratory for Animal Disease Control and Prevention Harbin Veterinary Research InstituteChinese Academy of Agricultural SciencesHarbin 150000China Maoming Branch Guangdong Laboratory for Lingnan Modern AgricultureMaoming 525000China Guangdong Laboratory for Lingnan Modern Agriculture Guangzhou 510642China

Recently,increasing natural infection cases and experimental animal challenge studies demonstrated domestic cats are susceptible to multiple subtypes influenza A virus(IAV)***,some subtype IAV strains could circulate in domestic cats after cross-species transmission and even infected humans,posing a threat to public *** factors related to viral polymerase activity could determine host range of IAV and acidic nuclear phosphoprotein 32(AnP32)is the most important one among ***,role of cat-derived AnP32 on viral polymerase activity and host range of IAV is still *** the present study,a total of 10 feline AnP32(feAnP32)splice variants(including 5 feAnP32A,3 feAnP32B,and 2 feAnP32E)were obtained from domestic cats by *** alignment results demonstrated amino acid deletions and/or insertions occurred among feAnP32 variants,but all feAnP32 proteins were primarily localized to cell *** replication systems for several representative IAV strains were established and the support ability of feAnP32 on IAV polymerase activity was *** results indicated that most feAnP32A and feAnP32B splice variants were able to support all the tested IAV strains,though the support activity of a single feAnP32 protein on polymerase activity varied among different IAV *** addition,the role of feAnP32 in supporting H3n2 canine influenza virus was determined by investigating viral replication in ***,our study systematically investigated the support activity of feAnP32 on IAV,providing a clue for further exploring the mechanism of susceptibility of cats to IAV.

关键词： AnP32 influenza A virus feline cross-species transmission