检索结果-南通市图书馆

Understanding Bonding Nature of α-Keggin Polyoxometalates [XW12O40]n- (X = Al, si, P, s): A Generalized superatomic Perspective

在线全文

学校读者我要写书评

暂无评论

ENERGY & ENVIRONMENTAl MATERIAls 2024年第6期7卷 176-183页

作者： li, rui shi, Yulei Yu, Famin Wang, rui Yan, haitao Teo, Boon K. Wang, Zhigang Capital Normal Univ Dept Phys Beijing 100048 Peoples R China Jilin Univ Coll Phys Key Lab Mat Simulat Methods & Software Minist Educ Changchun 130012 Peoples R China Jilin Univ Inst Atom & Mol Phys Changchun 130012 Peoples R China Jilin Univ Inst Theoret Chem Coll Chem Changchun 130012 Peoples R China Xiamen Univ Coll Chem & Chem Engn State Key Lab Phys Chem Solid Surfaces Xiamen 361005 Peoples R China

alpha-Keggin polyoxometalates (POMs) [XW12O40](n-) (X = Al, si, P, s) are widely used in batteries owing to their remarkable redox activity. however, the mechanism underlying the applications appears inconsistent with the widely accepted covalent bonding nature. here, first-principles calculations show that XW12 are core-shell structures composed of a shell and an XO4n- core, both are stabilized by covalent interactions. Interestingly, owing to the presence of a substantial number of electrons in W12O36 shell, the frontier molecular orbitals of XW12 are not only strongly delocalized but also exhibit superatomic properties with high-angular momentum electrons that do not conform to the Jellium model. Detailed analysis indicates that energetically high lying filled molecular orbitals (MOs) have reached unusually high-angular momentum characterized by quantum number K or higher, allowing for the accommodation of numerous electrons. This attribute confers strong electron acceptor ability and redox activity to XW12. Moreover, electrons added to XW12 still occupy the K orbitals and will not cause rearrangement of the MOs, thereby maintaining the stability of these structures. Our findings highlight the structure-activity relationship and provide a direction for tailor-made POMs with specific properties at atomic level.

关键词： first principles molecular orbital polyoxometalate redox activity superatom ElECTRONIC shEll sTRUCTUre CORrelATION-ENERGY BAsIs-sET DENsITY sTABIlITY ChEMIsTRY hETEROPOlYANIONs ORBITAls MODEl DFT

Data-driven analysis of chemicals,proteins and pathways associated with peanut allergy:from molecular networking to biological interpretation

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Food science and human Wellness 2024年第3期13卷 1322-1335页

作者： Emmanuel Kemmler Julian Braun Florent Fauchère sabine Dölle-Bierke Kirsten Beyer Robert Preissner Margitta Worm Priyanka Banerjee Institute for Physiology Charité-University Medicine BerlinBerlin 10115Germany Member of the KFO339 FOOD@Berlin 10115Germany si-M/“Der simulierte Mensch”a science framework of Technische Universität Berlin and Charité-Universitätsmedizin Berlin Berlin 10115Germany Charité-Universitätsmedizin Berlin corporate member of Freie Universität BerlinHumboldt-Universität zu Berlinand Berlin Institute of HealthBerlin 10115Germany Division of Allergy and Immunology Department of DermatologyVenerology and AllergyCharité-Universitätsmedizin Berlincorporate member of Freie Universität Berlin and Humboldt-Universität zu BerlinBerlin 10115Germany Pediatrics Campus VirchowCharité-University Medicine BerlinBerlin 10115Germany

Peanut allergy is majorly related to severe food induced allergic *** food including cow's milk,hen's eggs,soy,wheat,peanuts,tree nuts(walnuts,hazelnuts,almonds,cashews,pecans and pistachios),fish and shellfish are responsible for more than 90%of food ***,we provide promising insights using a large-scale data-driven analysis,comparing the mechanistic feature and biological relevance of different ingredients presents in peanuts,tree nuts(walnuts,almonds,cashews,pecans and pistachios)and ***,we have analysed the chemical compositions of peanuts in different processed form raw,boiled and *** the data-driven approach we are able to generate new hypotheses to explain why nuclear receptors like the peroxisome proliferator-activated receptors(PPARs)and its isoform and their interaction with dietary lipids may have significant effect on allergic *** results obtained from this study will direct future experimeantal and clinical studies to understand the role of dietary lipids and PPARisoforms to exert pro-inflammatory or anti-inflammatory functions on cells of the innate immunity and influence antigen presentation to the cells of the adaptive immunity.

关键词： Allergy informatics Knowledge-graph Data analysis Food allergy Peroxisome proliferator-activated receptors Fatty acids

Mechanistic modeling of copper corrosions in data center environments

在线全文

学校读者我要写书评

暂无评论

Building simulation 2024年第3期17卷 483-492页

作者： rui Zhang Jianshun Zhang Roger schmidt Jeremy l.Gilbert Department of Mechanical and Aerospace Engineering College of Engineering and Computer ScienceSyracuse UniversitySyracuseNY13244USA Buildings and Transportation science Division Oak Ridge National LaboratoryOak RidgeTN37830USA syracuseCoE-New York Center of Excellence in Environmental and Energy systems Syracuse University727 E.Washington StreetSyracuseNY13244USA Department of Bioengineering Clemson UniversityClemson-Medical University of South Carolina Bioengineering ProgramCharlestonSC29425USA

Air-side economizers are increasingly used to take advantage of“free-cooling”in data centers with the intent of reducing the carbon footprint of ***,they can introduce outdoor pollutants to indoor environment of data centers and cause corrosion damage to the information technology *** evaluate the reliability of information technology equipment under various thermal and air-pollution conditions,a mechanistic model based on multi-ion transport and chemical reactions was *** model was used to predict Cu corrosion caused by Cl_(2)-containing pollutant *** also accounted for the effects of temperature(25℃and 28℃),relative humidity(50%,75%,and 95%),and *** also identified higher air temperature as a corrosion barrier and higher relative humidity as a corrosion accelerator,which agreed well with the experimental *** average root mean square error of the prediction was 13.7Å.The model can be used to evaluate the thermal guideline for data centers design and operation when Cl_(2)is present based on pre-established acceptable risk of corrosion in data centers’environment.

关键词： chloride pollutant mixture copper corrosion model data center temperature relative humidity synergistic effect

ON MONOTONE TraVElING WAVEs FOR NIChOlsON's BlOWFlIEs EQUATION WITh DEGENEraTE p-lAPlACIAN DIFFUsION

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Acta Mathematica scientia 2024年第4期44卷 1550-1571页

作者： rui hUANG Yong WANG Zhuo YIN school of Mathematical sciences South China Normal UniversityGuangzhou 510631China

We study the existence and stability of monotone traveling wave solutions of Nicholson's blowflies equation with degenerate p-laplacian *** prove the existence and nonexistence of non-decreasing smooth traveling wave solutions by phase plane analysis ***,we show the existence and regularity of an original solution via a compactness ***,we prove the stability and exponential convergence rate of traveling waves by an approximated weighted energy method.

关键词： degenerate diffusion p-laplacian traveling waves stability

A discussion about the limitations of the Eurocode’s high-speed load model for railway bridges

在线全文

学校读者我要写书评

暂无评论

railway Engineering science 2024年第2期32卷 211-228页

作者： Gonçalo ferreira Pedro Montenegro Josérui Pinto António Abel henriques rui Calçada CONsTRUCT-lEsE Faculty of EngineeringUniversity of PortoRua Dr.Roberto Frias4200-465 PortoPortugal CONsTRUCT-lABEsT Faculty of EngineeringUniversity of PortoRua Dr.Roberto Frias4200-465 PortoPortugal

high-speed railway bridges are subjected to normative limitations concerning maximum permissible deck *** the design of these structures,the European norm EN 1991-2 introduces the high-speed load model(hslM)—a set of point loads intended to include the effects of existing high-speed ***,the evolution of current trains and the recent development of new load models motivate a discussion regarding the limits of validity of the *** this study,a large number of randomly generated load models of articulated,conventional,and regular trains are tested and compared with the envelope of hslM *** each type of train,two sets of 100,000 load models are considered:one abiding by the limits of the EN 1991-2 and another considering wider *** comparison is achieved using both a bridge-independent metric(train signatures)and dynamic analyses on a case study bridge(the Canelas bridge of the Portuguese railway Network).For the latter,a methodology to decrease the computational cost of moving loads analysis is *** show that some theoretical load models constructed within the stipulated limits of the norm can lead to effects not covered by the *** is especially noted in conventional trains,where there is a relation with larger distances between centres of adjacent vehicle bogies.

关键词： high-speed load model Dynamic analysis high-speed railways Train signature railway bridges Deck acceleration

Manipulating fast li_(2)s redox via carbon confinement and oxygen defect engineering of In_(2)O_(3)for lithium-sulfur batteries

在线全文

学校读者我要写书评

暂无评论

Nano research 2024年第6期17卷 5179-5187页

作者： Jinlei Qin rui Wang Zilong Yuan Pei Xiao Deli Wang Key laboratory of Material Chemistry for Energy Conversion and storage Ministry of EducationHubei Key Laboratory of Material Chemistry and Service FailureSchool of Chemistry and Chemical EngineeringHuazhong University of Science and TechnologyWuhan 430074China

lithium-sulfur(li-s)batteries have been considered as promising energy storage systems due to the merits of high energy density and low ***,the lithium polysulfides(liPss)diffusion and sluggish redox kinetics hamper the battery *** this work,low-bandgap indium oxide(In_(2)O_(3))with dense oxygen vacancies(In_(2)O_(3−x),0lumn(NC)is developed as a desirable liPss immobilizer and promoter to address these intractable *** NC confined In_(2)O_(3−x)with rich O vacancies(In_(2)O_(3−x)@NC)lowers the bandgap of 1.78 eV,strengthens the chemical adsorbability to liPss,and catalyzes the bidirectional li_(2)s *** to the structural and chemical cooperativities,the obtained sulfur electrodes exhibit a stable cycling over 550 cycles at 1.0 C and splendid rate capability up to 4.0 *** significantly,when the sulfur-loading reaches as high as 5.5 mg·cm^(−2),the cathodes achieve an areal capacity of 5.12 mAh·cm^(−2)at 0.1 *** strategy of NC confined catalyst with rich defects engineering demonstrates great promise in the development of practical li-s batteries.

关键词： li-s batteries nitrogen-doped carbon confinement oxygen vacancies bidirectional li_(2)s redox

Biomaterials and emerging technologies for tissue engineering and in vitro models

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Bio-Design and Manufacturing 2024年第3期7卷 237-239页

作者： J.Miguel Oliveira rui l.re.s 3B’s research Group I3Bs-Research Institute on BiomaterialsBiodegradables and BiomimeticsHeadquarters of the European Institute of Excellence on Tissue Engineering and Regenerative MedicineUniversity of MinhoAveParkZona Industrial da Gandra4805-017 BarcoGuimarãesPortugal ICVs/3B’s-PT Government Associate laboratory 4806-909 Braga/GuimarãesPortugal

The latest advances in the field of biomaterials have opened new avenues for scientific breakthroughs in tissue engineer-ing which greatly contributed for the successful translation of tissue engineering products into the market/***-materials are easily processed to become similar to natural extracellular matrix,making them ideal temporary supports for mimicking the three-dimensional(3D)microenvironment required for maintaining the adequate cell/tissue functions both in vitro and in vivo^([1]).

关键词： breakthrough biomaterials engineer

Interconnected microstructure and flexural behavior of Ti_(2)C-Ti composites with superior Young’s modulus

在线全文

学校读者我要写书评

暂无评论

International Journal of Minerals,Metallurgy and Materials 2024年第9期31卷 2088-2101页

作者： fengbo sun rui Zhang Fanchao Meng shuai Wang lujun huang lin Geng school of Materials science and Engineering Harbin Institute of TechnologyHarbin 150001China Waikato Centre for Advanced Materials and Manufacturing School of EngineeringUniversity of WaikatoHamilton 3240New Zealand state Key laboratory of Precision Welding&Joining of Materials and structures Harbin Institute of TechnologyHarbin 150001China

To enhance the Young’s modulus(E)and strength of titanium alloys,we designed titanium matrix composites with intercon-nected microstructure based on the hashin-shtrikman *** to the results,the in-situ reaction yielded an interconnected microstructure composed of Ti_(2)C particles when the Ti_(2)C content reached 50vol%.With widths of 10 and 230 nm,the intraparticle Ti lamellae in the prepared composite exhibited a bimodal size distribution due to precipitation and the unreacted Ti phase within the grown Ti_(2)C *** composites with interconnected microstructure attained superior properties,including E of 174.3 GPa and ultimate flexural strength of 1014 *** with that of pure Ti,the E of the composite was increased by 55% due to the high Ti_(2)C content and interconnected *** outstanding strength resulted from the strong interfacial bonding,load-bearing capacity of interconnected Ti_(2)C particles,and bimodal intraparticle Ti lamellae,which minimized the average crack driving *** flexural tests revealed preferential crack initiation along the{001}cleavage plane and grain boundary of Ti_(2)C in the region with the highest tensile *** addition,the propagation can be efficiently inhibited by interparticle Ti grains,which prevented the brittle fracture of the composites.

关键词： titanium matrix composites titanium carbide interface Young’s modulus flexural behavior

A facile strategy for tuning the density of surface-grafted biomolecules for melt extrusion-based additive manufacturing applications

在线全文

学校读者我要写书评

暂无评论

Bio-Design and Manufacturing 2024年第3期7卷 277-291页

作者： I.A.O.Beeren G.Dos santos P.J.Dijkstra C.Mota J.Bauer h.fe.re.ra.rui l.re.s N.Neves s.Camarero-Espinosa M.B.Baker l.Moroni Department of Complex Tissue regeneration MERLN Institute for Technology-Inspired Regenerative MedicineMaastricht University6229 ER MaastrichtThe Netherlands 3B’s research Group I3Bs–Research Institute on BiomaterialsBiodegradables and BiomimeticsHeadquarters of the European Institute of Excellence on Tissue Engineering and Regenerative MedicineUniversity of MinhoAveParkZona Industrial da Gandra4805-017 BarcoGuimarãesPortugal ICVs/3B’s-PT Government Associate laboratory 4806-909 Braga/GuimarãesPortugal POlYMAT University of the Basque Country UPV/EHU20018 Donostia/San SebastiánSpain IKERBAsQUE Basque Foundation for Science48009 BilbaoSpain

Melt extrusion-based additive manufacturing(ME-AM)is a promising technique to fabricate porous scaffolds for tissue engi-neering ***,most synthetic semicrystalline polymers do not possess the intrinsic biological activity required to control cell *** of biomolecules on polymeric surfaces of AM scaffolds enhances the bioactivity of a construct;however,there are limited strategies available to control the surface ***,we report a strategy to tune the surface density of bioactive groups by blending a low molecular weight poly(ε-caprolactone)5k(PCl5k)containing orthogonally reactive azide groups with an unfunctionalized high molecular weight PCl75k at different *** porous three-dimensional(3D)scaf-folds were then fabricated using a high weight percentage(75 wt.%)of the low molecular weight PCl *** a proof-of-concept test,we prepared films of three different mass ratios of low and high molecular weight polymers with a thermopress and reacted with an alkynated fluorescent model compound on the surface,yielding a density of 201-561 pmol/cm^(2).subsequently,a bone morphogenetic protein 2(BMP-2)-derived peptide was grafted onto the films comprising different blend compositions,and the effect of peptide surface density on the osteogenic differentiation of human mesenchymal stromal cells(hMsCs)was *** two weeks of culturing in a basic medium,cells expressed higher levels of BMP receptor II(BMPRII)on films with the conjugated *** addition,we found that alkaline phosphatase activity was only significantly enhanced on films contain-ing the highest peptide density(i.e.,561 pmol/cm^(2)),indicating the importance of the surface *** together,these results emphasize that the density of surface peptides on cell differentiation must be considered at the cell-material ***,we have presented a viable strategy for ME-AM community that desires to tune the bulk and surface functionality via blending of(m

关键词： Additive manufacturing Blending surface functionalization surface density Click chemistry human