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Bound-Preserving Discontinuous Galerkin Methods with Modified Patankar Time Integrations for Chemical Reacting Flows

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Communications on Applied Mathematics and Computation 2024年第1期6卷 190-217页

作者： Fangyao zhu Juntao huang Yang Yang Department of Mathematical Sciences Michigan Technological UniversityHoughtonMI49931USA Department of Mathematics and Statistics Texas Tech UniversityLubbockTX79409USA

In this paper,we develop bound-preserving discontinuous Galerkin(DG)methods for chemical reactive *** are several difficulties in constructing suitable numerical *** of all,the density and internal energy are positive,and the mass fraction of each species is between 0 and ***,due to the rapid reaction rate,the system may contain stiff sources,and the strong-stability-preserving explicit Runge-Kutta method may result in limited time-step *** obtain physically relevant numerical approximations,we apply the bound-preserving technique to the DG *** traditional positivity-preserving techniques can successfully yield positive density,internal energy,and mass fractions,they may not enforce the upper bound 1 of the mass *** solve this problem,we need to(i)make sure the numerical fluxes in the equations of the mass fractions are consistent with that in the equation of the density;(ii)choose conservative time integrations,such that the summation of the mass fractions is *** the above two conditions,the positive mass fractions have summation 1,and then,they are all between 0 and *** time discretization,we apply the modified Runge-Kutta/multi-step Patankar methods,which are explicit for the flux while implicit for the *** methods can handle stiff sources with relatively large time steps,preserve the positivity of the target variables,and keep the summation of the mass fractions to be ***,it is not straightforward to combine the bound-preserving DG methods and the Patankar time *** positivity-preserving technique for DG methods requires positive numerical approximations at the cell interfaces,while Patankar methods can keep the positivity of the pre-selected point values of the target *** match the degree of freedom,we use polynomials on rectangular meshes for problems in two space *** evolve in time,we first read the polynomials at the Gaussian ***,suitable slope l

关键词： Compressible Euler equations Chemical reacting flows Bound-preserving Discontinuous Galerkin(DG)method Modified Patankar method

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Upcycling of Poly(butylene adipate-co-terephthalate) into Dual Covalent Adaptable Networks through Chain Breaking-Crosslinking Strategy

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Chinese Journal of Polymer Science 2024年第10期42卷 1505-1513页

作者： Bin-Bo Wang Rong huang xin Wang Tao Jiang Yi Wang Shuai Du Fa-Lin Li Jin zhu Song-Qi Ma Key Laboratory of Synthetic and Biological Colloids Ministry of EducationSchool of Chemical and Material EngineeringJiangnan University Key Laboratory of Bio-based Polymeric Materials Technology and Application of Zhejiang Province Divisions of Polymers and CompositesNingbo Institute of Materials Technology and EngineeringChinese Academy of Sciences University of Chinese Academy of Sciences

Poly(butylene adipate-co-terephthalate)(PBAT), a widely studied biodegradable material, has not effectively addressed the problem of plastic waste. Taking into consideration the cost-effectiveness, upcycling PBAT should take precedence over direct composting degradation. The present work adopts a chain breaking-crosslinking strategy, upcycling PBAT into dual covalent adaptable networks(CANs). During the chainbreaking stage, the ammonolysis between PBAT and polyethyleneimine(PEI) established the primary crosslinked network. Subsequently, styrene maleic anhydride copolymer(SMA) reacted with the hydroxyl group, culminating in the formation of dual covalent adaptable networks. In contrast to PBAT, the PBAT-dual-CANs exhibited a notable Young's modulus of 239 MPa, alongside an inherent resistance to creep and solvents. Owing to catalysis from neighboring carboxyl group and excess hydroxyl groups, the PBAT-dual-CANs exhibited fast stress relaxation. Additionally,they could be recycled through extrusion and hot-press reprocessing, while retaining their biodegradability. This straightforward strategy offers a solution for dealing with plastic waste.

关键词： Chain breaking-crosslinking strategy Dynamic crosslinked networks Poly(butylene adipate-co-terephthalate) Recycle Upcycle

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Loss of LBP triggers lipid metabolic disorder through H3K27 acetylation-mediated C/EBPβ-SCD activation in non-alcoholic fatty liver disease

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Zoological Research 2024年第1期45卷 79-94页

作者： Ya-Ling zhu Lei-Lei Meng Jin-Hu Ma xin Yuan Shu-Wen Chen xin-Rui Yi xin-Yu Li Yi Wang Yun-Shu Tang Min Xue Mei-Zi zhu Jin Peng Xue-Jin Lu Jian-Zhen huang Zi-Chen Song Chong Wu Ke-Zhong Zheng Qing-Qing Dai Fan huang Hao-Shu Fang Department of Pathophysiology Anhui Medical UniversityHefeiAnhui 230032China Laboratory Animal Research Center School of Basic Medical SciencesAnhui Medical UniversityHefeiAnhui 230032China Department of Hepatobiliary Surgery First Affiliated Hospital of Anhui Medical UniversityHefeiAnhui 230022China College of Animal Science and Technology Jiangxi Agricultural UniversityNanchangJiangxi 330045China

Non-alcoholic fatty liver disease(NAFLD)is associated with mutations in lipopolysaccharide-binding protein(LBP),but the underlying epigenetic mechanisms remain ***,LBP^(-/-)rats with NAFLD were established and used to conduct integrative targetingactive enhancer histone H3 lysine 27 acetylation(H3K27ac)chromatin immunoprecipitation coupled with high-throughput and transcriptomic sequencing analysis to explore the potential epigenetic pathomechanisms of active enhancers of NAFLD exacerbation upon LBP ***,LBP^(-/-)reduced the inflammatory response but markedly aggravated high-fat diet(HFD)-induced NAFLD in rats,with pronounced alterations in the histone acetylome and regulatory *** total,1128 differential enhancer-target genes significantly enriched in cholesterol and fatty acid metabolism were identified between wild-type(WT)and LBP^(-/-)NAFLD *** on integrative analysis,CCAAT/enhancer-binding proteinβ(C/EBPβ)was identified as a pivotal transcription factor(TF)and contributor to dysregulated histone acetylome H3K27ac,and the lipid metabolism gene SCD was identified as a downstream effector exacerbating *** study not only broadens our understanding of the essential role of LBP in the pathogenesis of NAFLD from an epigenetics perspective but also identifies key TF C/EBPβand functional gene SCD as potential regulators and therapeutic targets.

关键词： Non-alcoholic fatty liver disease C/EBPβ Lipopolysaccharide-binding protein H3K27ac Integrative analysis Enhancer

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Controllable Ring-opening Polymerization ofδ-Valerolactone Catalyzed by Quinolinyl-Urea/MTBD Systems

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Chinese Journal of Polymer Science 2024年第8期42卷 1103-1110页

作者： xin-Yu Liu Liang zhu Su-Yun Jie Bo-Geng Li State Key Laboratory of Chemical Engineering College of Chemical and Biological EngineeringZhejiang UniversityHangzhou 310058China

Due to their excellent biocompatibility and biodegradability,aliphatic polyesters are widely used in the biomedical,packaging and agricultural fields,which are usually accessed by the ring-opening polymerization(ROP)of lactones and the catalysts particularly play an important *** a series of quinolinyl-urea catalysts have been synthesized via the reaction between isocyanate and aminoquinoline with an amino group at different substitution positions and *** combination with 7-methyl-1,5,7-triazabicyclo[4,4,0]dec-5-ene(MTBD)as a cocatalyst and benzyl alcohol(BnOH)as an initiator,1-(3,5-bis(trifluoromethyl)phenyl)-3-(quinolin-3-yl)urea(3-QU)was observed to be most active for the ROP ofδ-valerolactone(δ-VL).The polymerization conditions were optimized by varying the type of organic base,catalyst concentration and reaction *** changing the ratio of[M]_0/[I],linear polyvalerolactones(PVLs)with different molecular weights and narrow molecular weight distribution were *** kinetic and chain extension experiments were carried out to prove the"living"/controllable *** the NMR experiments were used to support the proposal of possible mechanism.

关键词： Quinolinyl-urea Ring-opening polymerization PVL

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Recent progress of MgO-based materials in CO_(2) adsorption and conversion:Modification methods,reaction condition,and CO_(2) hydrogenation

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Chinese Chemical Letters 2024年第5期35卷 57-65页

作者： Zixuan zhu Xianjin Shi Yongfang Rao Yu huang Key Laboratory of Aerosol Chemistry&Physics State Key Laboratory of Loess and Quaternary Geology(SKLLQG)Institute of Earth EnvironmentChinese Academy of Sciences(CAS)Xi’an 710061China Center for Excellence in Quaternary Science and Global Change Chinese Academy of SciencesXi’an 710061China University of Chinese Academy of Sciences Beijing 100049China Department of Environmental Science and Engineering Xi’an Jiaotong UniversityXi’an 710049China

Integrated CO_(2) capture and conversion of(ICCC)is one of the most effective solutions to reduce anthropogenic CO_(2) emissions,which has attracted extensive public *** functional materials(DFMs),including adsorbent and catalyst,are the key components to achieve *** oxide(MgO)is an ideal adsorbent for ICCC,since it is characterized by high theoretical adsorption capacity,low cost,low energy consumption and extensive *** can also be used as DFMs in combination with the Ni *** not only can act as an adsorbent in DFMs but also enhance the catalytic performance of *** review summarizes the advantages and modification methods of MgO as adsorbent and the influence of its adsorption conditions on the adsorption ***,the important role of MgO in facilitating the catalytic conversion of CO_(2) is *** research focuses are proposed for the development of MgO based DFMs with high adsorption capacity,high stability,conversion,and selectivity as well as low cost and energy consumption.

关键词： CO_(2) ICCC MgO Adsorption Conversion

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Grapevine-like high entropy oxide composites boost high-performance lithium sulfur batteries as bifunctional interlayers

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Green Energy & Environment 2024年第3期9卷 565-572页

作者： Huarong Fan Yubing Si Yiming Zhang Fulong zhu xin Wang Yongzhu Fu College of Chemistry and Center of Green Catalysis Zhengzhou UniversityZhengzhou450001China School of Materials and Energy University of Electronic Science and Technology of ChinaChengdu611731China

Lithium-sulfur batteries(LSBs)with high energy densities have been demonstrated the potential for energy-intensive demand ***,their commercial applicability is hampered by hysteretic electrode reaction kinetics and the shuttle effect of lithium polysulfides(LiPSs).In this work,an interlayer consisting of high-entropy metal oxide(Cu_(0.7)Fe_(0.6)Mn_(0.4)Ni_(0.6)Sn_(0.5))O_(4) grown on carbon nanofibers(HEO/CNFs)is designed for *** CNFs with highly porous networks provide transport pathways for Li^(+) and e^(-),as well as a physical sieve effect to limit LiPSs *** particular,the grapevine-like HEO nanoparticles generate metal-sulfur bonds with LiPSs,efficiently anchoring active *** unique structure and function of the interlayer enable the LSBs with superior electrochemical performance,i.e.,the high specific capacity of 1381 mAh g^(-1) at 0.1 C and 561 mAh g^(-1) at 6 *** work presents a facile strategy for exploiting high-performance LSBs.

关键词： Electrospun carbon nanofibers Grapevine-like morphology Hierarchical physical sieve effect High-entropy induced chemisorption Lithium-sulfur battery

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Advancements in S-scheme heterojunction materials for photocatalytic environmental remediation

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Journal of Materials Science & Technology 2024年第2期169卷 182-198页

作者： Changliang Nie Xiaohan Wang Ping Lu Yukun zhu xin Li Hua Tang School of Environmental Science and Engineering State Key Laboratory of Bio-fibers and Eco-textilesQingdao UniversityQingdao266071China Institute of Biomass Engineering Key Laboratory of Energy Plants Resource and UtilizationMinistry of Agriculture and Rural AffairsSouth China Agricultural UniversityGuangzhou510642China School of Environmental Science and Engineering Shandong UniversityQingdao266237China

Recently,S-scheme heterojunctions have gained considerable attention in the field of photocatalytic environmental remediation as their potential to achieve efficient spatial charge separation coupled with strong redox ***,this review provides an overview of the current state-of-the-art in the development of S-scheme-based photocatalysts for the purification of environmental *** review first covers the fundamentals of heterogeneous photocatalysis for environmental ***,an introduction to the background,mechanism,design principles,and characterization techniques of S-scheme heterojunctions is ***,the review presents a comparison and summary of using various S-scheme photocatalysts for the removal of several target pollutants,such as bacteria,heavy metals,nitrogen oxides,antibiotics,and ***,the modification strategies of S-scheme heterojunction photocatalysts are also ***,a brief discussion of the challenges and prospects associated with S-scheme photocatalytic systems is demonstrated.

关键词： S-scheme heterojunctions Photocatalyst Pollutant Environmental remediation

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Effects of Atmospheric Pressure on Developmental Characteristics and the Stability of Air Entraining Agent for Concrete

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Journal of Wuhan University of Technology(Materials Science) 2024年第4期39卷 979-989页

作者：李立辉牛开民 TIAN Bo CHEN xin FU Ziqian zhu Xuwei School of Civil Engineering Chongqing Jiaotong UniversityChongqing 400074China Transportation Science and Engineering Harbin Institute of TechnologyHarbin 150090China Research Institute of Highway Ministry of TransportBeijing 100088China

In order to ascertain the effects of atmospheric pressure on developmental characteristics and the stability of AEA(air-entraining agent)solution bubbles,AEA solution experiments and AEA solution bubble experiments were,respectively,conducted in Peking(50 m,101.2 kPa)and Lhasa(3,650 m,63.1 kPa).Surface tensions and inflection-point concentrations were tested based on AEA solutions,whilst developmental characteristics,thicknesses and elastic coefficients of liquid films were tested based on air bubbles of AEA *** study involved three types of AEAs,which were TM-O,226A,and *** experimental results show that initial sizes of TM-O,226A,and 226S are,respectively,increased by 43.5%,17.5%,and 3.8%.With the decrease of ambient pressure,the drainage rate and the drainage index of AEA solution bubbles *** experiments show that the liquid film thicknesses of all tested AEA solution bubbles are in micron *** the atmospheric pressure decreases from 101.2 to 63.1 kPa,the liquid film thicknesses of three types of AEA solutions decrease in various degrees;and film elasticities at critical thicknesses *** film of 226S solution bubbles is the most stable,presenting as a minimum thickness *** should be noted that elastic coefficient of liquid film only represents the level at critical thickness,thus it can not be applied as the only evaluating indicator of bubble *** a type of AEA,factors affecting the stability of its bubbles under low atmospheric pressure include initial bubbles size,liquid film thickness,liquid film elasticity,ambient temperature,etc.

关键词： air-entraining agent surface tension bubble size liquid film thickness liquid film elasticity atmospheric pressure

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Promoted surface charge density from interlayer Zn–N_(4) configuration in carbon nitride for enhanced CO_(2) photoreduction

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Nano Research 2024年第4期17卷 2400-2409页

作者： Xianjin Shi Yu huang Gangqiang zhu Wei Peng Meijuan Chen State Key Laboratory of Loess and Quaternary Geology(SKLLQG) Key Laboratory of Aerosol Chemistry and PhysicsInstitute of Earth EnvironmentChinese Academy of SciencesXi’an 710061China Center of Excellence in Quaternary Science and Global Change Chinese Academy of SciencesXi’an 710061China University of Chinese Academy of Sciences Beijing 100049China School of Physics and Information Technology Shaanxi Normal UniversityXi’an 710062China School of Human Settlements and Civil Engineering Xi’an Jiaotong UniversityXi’an 710049China

The solar-driven reduction of CO_(2) into valuable products is a promising method to alleviate global environmental problems and energy ***,the low surface charge density limits the photocatalytic conversion performance of CO_(2).Herein,a polymeric carbon nitride(PCN)photocatalyst with Zn single atoms(Zn1/CN)was designed and synthesized for CO_(2) *** results of the CO_(2) photoreduction studies show that the CO and CH_(4) yields of Zn1/CN increased fivefold,reaching 76.9 and 22.9μmol/(g·h),respectively,in contrast to the unmodified ***+plasma-etched X-ray photoelectron spectroscopy and synchrotron radiation-based X-ray absorption fine structure results reveal that Zn single atom is mainly present in the interlayer space of PCN in the Zn–N_(4) *** characterizations indicate that the interlayer Zn–N_(4) configuration can amplify light absorption and establish an interlayer charge transfer ***-assisted Kelvin probe force microscopy confirms that more photogenerated electrons are delivered to the catalyst surface through interlayer Zn–N_(4) configuration,which increases its surface charge ***,in-situ infrared spectroscopy combined with density functional theory calculation reveals that promoted surface charge density accelerates key intermediates(*COOH)conversion,thus achieving efficient CO_(2) *** work elucidates the role of internal single atoms in catalytic surface reactions,which provides important implications for the design of single-atom catalysts.

关键词： single-atom catalysts photocatalytic CO_(2)reduction interlayer modification charge transfer dynamics surface charge density

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Review on the terahertz metasensor:from featureless refractive index sensing to molecular identification

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Photonics Research 2024年第2期12卷 194-217页

作者： JIAMING LYU LIHAO huang LIN CHEN YIMING zhu SONGLIN Zhuang THz Technology Innovation Research Institute Shanghai Key Laboratory of Modern Optical SystemUniversity of Shanghai for Science and TechnologyShanghai 200093China Shanghai Institute of Intelligent Science and Technology Tongji UniversityShanghai 200092China

The terahertz(THz)wave is at the intersection between photonics and electronics in the electromagnetic *** the vibration mode of many biomedical molecules and the weak interaction mode inside the molecules fall in the THz regime,utilizing THz radiation as a signal source to operate substance information sensing has its unique ***,the metamaterial sensor(metasensor)has greatly enhanced the interaction between signal and substances and spectral selectivity on the subwavelength ***,most past review articles have demonstrated the THz metasensor in terms of their structures,applications,or *** recently,with the rapid development of metasensing technologies,the molecular information has paid much more attention to the platform of THz *** this review,we comprehensively introduce the THz metasensor for detecting not only the featureless refractive index but also the vibrational/chiral molecular information of *** objectives of this review are to improve metasensing specificity either by chemical material-assisted analyte capture or by physical molecular ***,to boost THz absorption features in a certain frequency,the resonant responses of metasensors can be tuned to the molecular vibrational modes of target molecules,while frequency multiplexing techniques are reviewed to enhance broadband THz spectroscopic *** chiral metasensors are also summarized to specific identification chiral ***,the potential prospects of next generation THz metasensors are *** to featureless refractive index metasensing,the specific metasensor platforms accelerated by material modification and molecular information will lead to greater impact in the advancement of trace detection of conformational dynamics of biomolecules in practical applications.

关键词： refractive index sensor

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