Alkali-free SiO_(2)-Al_(2)O_(3)-CaO-MgO with different SiO_(2)/Al_(2)O_(3)mass ratios was prepared by conventional melt quenching method.The glass network structure,thermodynamic properties and elastic modulus changes...Alkali-free SiO_(2)-Al_(2)O_(3)-CaO-MgO with different SiO_(2)/Al_(2)O_(3)mass ratios was prepared by conventional melt quenching method.The glass network structure,thermodynamic properties and elastic modulus changes with SiO_(2)and Al_(2)O_(3)ratios were investigated using various techniques.It is found that when SiO_(2)is replaced by Al_(2)O_(3),the Q^(4) to Q^(3) transition of silicon-oxygen network decreases while the aluminum-oxygen network increases,which result in the transformation of Si-O-Si bonds to Si-O-Al bonds and an increase in glass network connectivity even though the intermolecular bond strength decreases.The glass transition temperature(T_(g))increases continuously,while the thermal expansion coefficient increases and high-temperature viscosity first decreases and then increases.Meanwhile,the elastic modulus values increase from 93 to 102 GPa.This indicates that the elastic modulus is mainly affected by packing factor and dissociation energy,and elements with higher packing factors and dissociation energies supplant those with lower values,resulting in increased rigidity within the glass.展开更多
With the wide application of electromagnetic wave,a high performance electromagnetic shielding material is urgently needed to solve the harm caused by electromagnetic wave.Complete cross-linking strategy is adopted in...With the wide application of electromagnetic wave,a high performance electromagnetic shielding material is urgently needed to solve the harm caused by electromagnetic wave.Complete cross-linking strategy is adopted in this paper.Polyacrylamide(PAM)was synthesized by in-situ polymerization of acrylamide(AM)monomer.The obtained PAM was blended with polyethylene glycol(PEG)to prepare PAM/PEG hydrogels and form rigid support structures.Subsequently,the modified carbon nanotubes(S-CNTs)were incorpor-ated into sodium alginate(SA)and PAM/PEG.Finally,Na+was used to trigger SA self-assembly,which significantly improved the mechanical properties and electrical conductivity of the hydrogels,and prepared PAM/PEG/SA/S-CNTs-Na hydrogels with high tough-ness and strong electromagnetic interference(EMI)shielding efficiency(SE).The results showed that the compressive strength of PAM/PEG/SA/S-CNTs-Na hydrogel was 19.05 MPa,which was 7.69%higher than that of PAM/PEG hydrogel(17.69 MPa).More en-couraging,the average EMI SE of PAM/PEG/SA/S-CNTs-Na hydrogels at a thickness of only 3 mm and a CNTs content of 16.53wt%was 32.92 dB,which is 113.21%higher than that of PAM/PEG hydrogels(15.44 dB).展开更多
With the widespread popularity of electronic equipment and rapid development of wireless communication technology,electromagnetic shielding materials possessing thermal insulation properties can effectively block elec...With the widespread popularity of electronic equipment and rapid development of wireless communication technology,electromagnetic shielding materials possessing thermal insulation properties can effectively block electromagnetic radiation for ensuring normal operation of electronic equipment and human health,while providing heat insulation to improve energy efficiency and protect equipment from high temperatures.In this study,we employ covalent organic skeleton(COF)to optimize Ti_(3)C_(2)T_(x)MXene layers and successfully prepare MXene@COF heterostructures.This structure maintained the unique two-dimensional architecture of Ti_(3)C_(2)T_(x)MXene while preventing aggregation and self-stacking of MXene nanosheets through the outer COF layer.The modification increases material porosity and significantly enhances electrical conductivity.We incorporated the heterostructure into acrylamidegelatin hydrogels and controlled shielding efficiency by varying COF content.Results demonstrate that the MXene@COF-based hydrogel(15 mm p-pheny lenedi amine)exhibits high toughness,strong electromagnetic shielding capability,infrared stealth performance,and thermal insulation properties.In the X-band,mechanical tests show only 3 mm in thickness and 0.90 wt%MXene@COF content,electromagnetic shielding efficiency(EMI SE)of the material is as high as 37.52 dB,and the average total electromagnetic shielding(SE_(T))is 32.01 dB,the compressive stress is 20.85 MPa,the water content is 79.04%,and the electrical conductivity is 1.22 S m^(-1).These finding soffer new possibilities for developing COF-based electromagnetic shielding materials.展开更多
Materials development has historically been driven by human needs and desires, and this is likely to con- tinue in the foreseeable future. The global population is expected to reach ten billion by 2050, which will pro...Materials development has historically been driven by human needs and desires, and this is likely to con- tinue in the foreseeable future. The global population is expected to reach ten billion by 2050, which will promote increasingly large demands for clean and high-ef ciency energy, personalized consumer prod- ucts, secure food supplies, and professional healthcare. New functional materials that are made and tai- lored for targeted properties or behaviors will be the key to tackling this challenge. Traditionally, advanced materials are found empirically or through experimental trial-and-error approaches. As big data generated by modern experimental and computational techniques is becoming more readily avail- able, data-driven or machine learning (ML) methods have opened new paradigms for the discovery and rational design of materials. In this review article, we provide a brief introduction on various ML methods and related software or tools. Main ideas and basic procedures for employing ML approaches in materials research are highlighted. We then summarize recent important applications of ML for the large-scale screening and optimal design of polymer and porous materials, catalytic materials, and energetic mate- rials. Finally, concluding remarks and an outlook are provided.展开更多
Corrosion,more specifically,pitting corrosion happening extremely in marine environments,leads to lifespan of materials drastically decreasing in service,which causes enormous economic loss and even environmental disa...Corrosion,more specifically,pitting corrosion happening extremely in marine environments,leads to lifespan of materials drastically decreasing in service,which causes enormous economic loss and even environmental disaster and casualties.In the past decade,increasing efforts have been made to study the corrosion behaviors of materials in chloride-containing aqueous environments.Herein,this work provides an overview of recent progress in understanding the degradation mechanism and improving the corrosion resistance and corrosion-wear resistance of materials from bulk metal to surface treatment involving organic coating,metal and its alloy or compound coating.The particular emphasis is given to the periodic layered structures(PLSs),whose anti-corrosion properties outperformed others to some extent,wherever in terms of bulk metal or surface treatment,regardless of aggressive environment(corrosion or corrosion-wear conditions).Numerical simulation based on kinds of models at different scales is introduced to deeply understand the process of corrosion and/or corrosion-wear in chloride-containing aqueous environment.Combined experimental result with numerical simulation,the micro-galvanic corrosion dominated degradation mechanism of PLSs is critically analyzed.Types of setups to realize corrosion-wear in laboratory are also summarized.At last,future research and development are prospected,offering to develop a basic application of PLSs designed by corrosion protection methodology in the near future.展开更多
A computer-aided ionic liquid design(CAILD) study is presented for the frequently encountered alkane/cycloalkane separations in petrochemical industry. Exhaustive experimental data are first collected to extend the UN...A computer-aided ionic liquid design(CAILD) study is presented for the frequently encountered alkane/cycloalkane separations in petrochemical industry. Exhaustive experimental data are first collected to extend the UNIFAC-IL model for this system, where the proximity effect in alkanes and cycloalkanes is considered specifically by defining distinct groups. The thermodynamic performances of a large number of ILs for 4 different alkane/cycloalkane systems are then compared to select a representative example of such separations. By applying n-heptane/methylcyclohexane extractive distillation as a case study, the CAILD task is cast as a mixed-integer nonlinear programming(MINLP) problem based on the obtained task-specific UNIFAC-IL model and two semi-empirical models for IL physical properties. The top 5 IL candidates determined by solving the MINLP problem are subsequently introduced into Aspen Plus for process simulation and economic analysis, which finally identify 1-hexadecyl-methylpiperidinium tricyanomethane([C_(16)MPip][C(CN)_3]) as the best entrainer for this separation.展开更多
The world’s increasing population requires the process industry to produce food,fuels,chemicals,and consumer products in a more efficient and sustainable way.Functional process materials lie at the heart of this chal...The world’s increasing population requires the process industry to produce food,fuels,chemicals,and consumer products in a more efficient and sustainable way.Functional process materials lie at the heart of this challenge.Traditionally,new advanced materials are found empirically or through trial-and-error approaches.As theoretical methods and associated tools are being continuously improved and computer power has reached a high level,it is now efficient and popular to use computational methods to guide material selection and design.Due to the strong interaction between material selection and the operation of the process in which the material is used,it is essential to perform material and process design simultaneously.Despite this significant connection,the solution of the integrated material and process design problem is not easy because multiple models at different scales are usually required.Hybrid modeling provides a promising option to tackle such complex design problems.In hybrid modeling,the material properties,which are computationally expensive to obtain,are described by data-driven models,while the well-known process-related principles are represented by mechanistic models.This article highlights the significance of hybrid modeling in multiscale material and process design.The generic design methodology is first introduced.Six important application areas are then selected:four from the chemical engineering field and two from the energy systems engineering domain.For each selected area,state-ofthe-art work using hybrid modeling for multiscale material and process design is discussed.Concluding remarks are provided at the end,and current limitations and future opportunities are pointed out.展开更多
The selection of phase change material(PCM)plays an important role in developing high-efficient thermal energy storage(TES)processes.Ionic liquids(ILs)or organic salts are thermally stable,non-volatile,and non-flammab...The selection of phase change material(PCM)plays an important role in developing high-efficient thermal energy storage(TES)processes.Ionic liquids(ILs)or organic salts are thermally stable,non-volatile,and non-flammable.Importantly,researchers have proved that some ILs possess higher latent heat of fusion than conventional PCMs.Despite these attractive characteristics,yet surprisingly,little research has been performed to the systematic selection or structural design of ILs for TES.Besides,most of the existing work is only focused on the latent heat when selecting PCMs.However,one should note that other properties such as heat capacity and thermal conductivity could affect the TES performance as well.In this work,we propose a computer-aided molecular design(CAMD)based method to systematically design IL PCMs for a practical TES process.The effects of different IL properties are simultaneously captured in the IL property models and TES process models.Optimal ILs holding a best compromise of all the properties are identified through the solution of a formulated CAMD problem where the TES performance of the process is maximized.[MPyEtOH][TfO]is found to be the best material and excitingly,the identified top nine ILs all show a higher TES performance than the traditional PCM paraffin wax at 10 h thermal charging time.展开更多
Trailing edge serrations(TESs)are capable of noticeably suppressing the turbulent trailing edge noise induced by rotating wind turbine blades and become an integral part of a blade.However,the challenges involved in t...Trailing edge serrations(TESs)are capable of noticeably suppressing the turbulent trailing edge noise induced by rotating wind turbine blades and become an integral part of a blade.However,the challenges involved in the dimensional design of serration height 2 h,wavelengthλand flap angleϕare yet to be dealt with in a satisfactory manner.To address the problem,a general model for simulating the effects of serrations on the hydrodynamic and aeroacoustic performance is proposed due to its ease of use and relatively low requirements for user input.The solid serrations are replicated by momentum sources calculated by its aerodynamic forces.Then,a case relevant to wind turbine airfoil is examined,a hybrid improved delay detached eddy simulation(IDDES)method coupled with FW-H integration is deployed to obtain the flow features and far-field sound pressure level.It is found that the modeling method could reproduce the flow field and noise as serrated airfoil.展开更多
The influence of local cooling/heating on two types of nonlinear instabilities of the high-speed boundary layer,namely,the First and Second Mode Oblique Breakdown(FMOB and SMOB),is studied using direct numerical simul...The influence of local cooling/heating on two types of nonlinear instabilities of the high-speed boundary layer,namely,the First and Second Mode Oblique Breakdown(FMOB and SMOB),is studied using direct numerical simulations.Local cooling and heating are performed at the weak and strong nonlinear stages of the two types of nonlinear instabilities.It is found that for the FMOB,local cooling at the weak nonlinear region will suppress the increase of the fundamental mode,leading to transition delay.Opposite to local cooling,local heating at the weak nonlinear region of the FMOB will promote the growth of the fundamental mode,resulting in the occurrence of more upstream transition onset.However,if local cooling and heating are performed at the strong nonlinear region,the influence of both local cooling and heating on the FMOB can be neglected.Remarkably,both local heating and cooling can delay the SMOB for different mechanisms.Performing local cooling at the weak nonlinear region of the SMOB,the low amplitude of higher spanwise wavenumber steady mode caused by local cooling lies behind transition delay.When local cooling is set at the strong nonlinear region,the low amplitude of harmonic modes around the cooling area can cause transition delay.Additionally,local heating will suppress the SMOB for the slowing amplification rate of various modes caused by the local heating at both the weak and strong nonlinear stages of the SMOB.展开更多
Nanopore detection is a hot issue in current research.One of the challenges is how to slow down the transport velocity of nanoparticles in nanopores.In this paper,we propose a functional group modified nanopore.That m...Nanopore detection is a hot issue in current research.One of the challenges is how to slow down the transport velocity of nanoparticles in nanopores.In this paper,we propose a functional group modified nanopore.That means a polyelectrolyte brush layer is grafted on the surface of the nanopore to change the surface charge properties.The existing studies generally set the charge density of the brush layer to a fixed value.On the contrary,in this paper,we consider an essential property of the brush layer:the volume charge density is adjustable with pH.Thus,the charge property of the brush layer will change with the local H+concentration.Based on this,we established a mathematical model to study the transport of nanoparticles in polyelectrolyte brush layer modified nanopores.We found that pH can effectively adjust the charge density and even the polarity of the brush layer.A larger pH can reduce the transport velocity of nanoparticles and improve the blockade degree of ion current.The grafting density does not change the polarity of the brush charge.The larger the grafting density,the greater the charge density of the brush layer,and the blockade degree of ion current is also more obvious.The polyelectrolyte brush layer modified nanopores in this paper can effectively reduce the nanoparticle transport velocity and retain the essential ion current characteristics,such as ion current blockade and enhancement.展开更多
N/B co-doped porous carbon materials(NBPCs)are regarded as an ideal cathode material for Zn-ion hybrid supercapacitors(ZHSCs).As a capacitive cathode material,the improvement of specific surface area(SSA)and pore stru...N/B co-doped porous carbon materials(NBPCs)are regarded as an ideal cathode material for Zn-ion hybrid supercapacitors(ZHSCs).As a capacitive cathode material,the improvement of specific surface area(SSA)and pore structure can efficiently enhance the capacity and rate capability of NBPCs.However,the B atom doping progress will patch up the defect and pore of NBPCs,thereby impeding the further expansion of the SSA area and porous structure.This paper designs a new route for high-efficiency fabrication of NBPCs with high SSA and rich pore structure,employing biomass waste as the carbon source and a novel deep eutectic solvent(DES)as the activation agent.The obtained NBPCs process superior SSA(2270 m^(2)g^(-1))and abundant pore structure with rich B,N-doping level.Notably,an interesting occupied effect of doped B atoms on the N-doped carbon network can be identified,which optimizes the proportion of N-contained surface functional groups,leading to the enhancement of conductivity and capacity in NBPCs.Together with the large SSA,high B,N-doping level,an appropriate proportion of N-contained surface groups,and hierarchical porous structure,the NBPC-3 sample exhibits excellent electrochemical performance as cathode materials for ZHSCs,with an energy density of 139.46 W h kg^(-1).展开更多
Objective:To explore the relationship between different healing degree and C peptide in elderly patients with diabetic foot ulcers.Methods:Totally, two hundred and forty-one DFU patients were selected into our researc...Objective:To explore the relationship between different healing degree and C peptide in elderly patients with diabetic foot ulcers.Methods:Totally, two hundred and forty-one DFU patients were selected into our research from September 2nd, 2011 to September 2nd, 2012. After admission, the patients' sex, age, the course of diabetes, the days of hospitalization, and BMI were recorded. After examination, blood routine and blood biochemistry, urine routine, hepatorenal work were recorded. Follow up 5 years, patients with unhealed ulcers were selected into bad prognosis group during follow-up, and patients with ulcerative healing into good prognosis group. Single factor analysis showed factors affecting the healing of DFU patients;Cox proportional risk model was further evaluated the effect of all factors with statistical significance on the healing of DFU patients. Using the ROC curve to analyze the statistically significant factors and to calculate the area under the curve to evaluate the predictive ability of the healing of the patients with DFU.Results: At the end of the follow-up, 6 patients were lost, 177 had the end point, and the healing rate was 73.44%. Single factor and multifactor analysis showed that the course of diabetes and HbA1C were independent risk factors affecting the prognosis. FCP was an independent protective factor affecting the prognosis. In ROC, the AUC of diabetes course was 0.754 under the ROC curve. The AUC of HbA1C under the line is 0.791, while the AUC of FCP level is 0.581 under the ROC curve.Conclusion: Low FCP is an independent risk factor for DFU healing, but FCP has little predictive effect on patient healing.展开更多
NF-κB signaling has been discovered for nearly 40 years.Initially,NF-κB signaling was identified as a pivotal pathway in mediating inflammatory responses.However,with extensive and in-depth investigations,researcher...NF-κB signaling has been discovered for nearly 40 years.Initially,NF-κB signaling was identified as a pivotal pathway in mediating inflammatory responses.However,with extensive and in-depth investigations,researchers have discovered that its role can be expanded to a variety of signaling mechanisms,biological processes,human diseases,and treatment options.In this review,we first scrutinize the research process of NF-κB signaling,and summarize the composition,activation,and regulatory mechanism of NF-κB signaling.We investigate the interaction of NF-κB signaling with other important pathways,including PI3K/AKT,MAPK,JAK-STAT,TGF-β,Wnt,Notch,Hedgehog,and TLR signaling.The physiological and pathological states of NF-κB signaling,as well as its intricate involvement in inflammation,immune regulation,and tumor microenvironment,are also explicated.Additionally,we illustrate how NF-κB signaling is involved in a variety of human diseases,including cancers,inflammatory and autoimmune diseases,cardiovascular diseases,metabolic diseases,neurological diseases,and covID-19.Further,we discuss the therapeutic approaches targeting NF-κB signaling,including IKK inhibitors,monoclonal antibodies,proteasome inhibitors,nuclear translocation inhibitors,DNA binding inhibitors,TKls,non-coding RNAs,immunotherapy,and CAR-T.Finally,we provide an outlook for research in the field of NF-κB signaling.We hope to present a stereoscopic,comprehensive NF-κB signaling that will inform future research and clinical practice.展开更多
An energy-efficient triple-column extractive distillation process is developed for recovering tetrahydrofuran and ethyl acetate from industrial effluent.The process development follows a rigorous hierarchical design p...An energy-efficient triple-column extractive distillation process is developed for recovering tetrahydrofuran and ethyl acetate from industrial effluent.The process development follows a rigorous hierarchical design procedure that involves entrainer design,thermodynamic analysis,process design and optimization,and heat integration.The computer-aided molecular design method is firstly used to find promising entrainer candidates and the best one is determined via rigorous thermodynamic analysis.Subsequently,the direct and indirect triple-column extractive distillation processes are proposed in the conceptual design step.These two extractive distillation processes are then optimized by employing an improved genetic algorithm.Finally,heat integration is performed to further reduce the process energy consumption.The results indicate that the indirect extractive distillation process with heat integration shows the highest performance in terms of the process economics.展开更多
Functional materials are widely used in chemical industry in order to reduce the process cost while simultaneously increase the product quality.Considering their significant effects,systematic methods for the optimal ...Functional materials are widely used in chemical industry in order to reduce the process cost while simultaneously increase the product quality.Considering their significant effects,systematic methods for the optimal selection and design of materials are essential.The conventional synthesis-and-test method for materials development is inefficient and costly.Additionally,the performance of the resulting materials is usually limited by the designer’s expertise.During the past few decades,computational methods have been significantly developed and they now become a very important tool for the optimal design of functional materials for various chemical processes.This article selectively focuses on two important process functional materials,namely heterogeneous catalyst and gas separation agent.Theoretical methods and representative works for computational screening and design of these materials are reviewed.展开更多
Dentine hypersensitivity is an annoying worldwide disease,yet its mechanism remains unclear.The long-used hydrodynamic theory,a stimuli-induced fluid-flow process,describes the pain processes.However,no experimental e...Dentine hypersensitivity is an annoying worldwide disease,yet its mechanism remains unclear.The long-used hydrodynamic theory,a stimuli-induced fluid-flow process,describes the pain processes.However,no experimental evidence supports the statements.Here,we demonstrate that stimuli-induced directional cation transport,rather than fluid-flow,through dentinal tubules actually leads to dentine hypersensitivity.The in vitro/in vivo electro-chemical and electro-neurophysiological approaches reveal the cation current through the nanoconfined negatively charged dentinal tubules coming from external stimuli(pressure,pH,and temperature)on dentin surface and further triggering the nerve impulses causing the dentine hypersensitivity.Furthermore,the cationic-hydrogels blocked dentinal tubules could significantly reduce the stimuli-triggered nerve action potentials and the anionhydrogels counterpart enhances those,supporting the cation-flow transducing dentine hypersensitivity.Therefore,the inspired ion-blocking desensitizing therapies have achieved remarkable pain relief in clinical applications.The proposed mechanism would enrich the basic knowledge of dentistry and further foster breakthrough initiatives in hypersensitivity mitigation and cure.展开更多
基金Supported by the National Key Research Program(No.2024-1129-954-112)National Natural Science Foundation of China(No.52372033)Guangxi Science and Technology Major Program(No.AA24263054)。
文摘Alkali-free SiO_(2)-Al_(2)O_(3)-CaO-MgO with different SiO_(2)/Al_(2)O_(3)mass ratios was prepared by conventional melt quenching method.The glass network structure,thermodynamic properties and elastic modulus changes with SiO_(2)and Al_(2)O_(3)ratios were investigated using various techniques.It is found that when SiO_(2)is replaced by Al_(2)O_(3),the Q^(4) to Q^(3) transition of silicon-oxygen network decreases while the aluminum-oxygen network increases,which result in the transformation of Si-O-Si bonds to Si-O-Al bonds and an increase in glass network connectivity even though the intermolecular bond strength decreases.The glass transition temperature(T_(g))increases continuously,while the thermal expansion coefficient increases and high-temperature viscosity first decreases and then increases.Meanwhile,the elastic modulus values increase from 93 to 102 GPa.This indicates that the elastic modulus is mainly affected by packing factor and dissociation energy,and elements with higher packing factors and dissociation energies supplant those with lower values,resulting in increased rigidity within the glass.
基金supported by the National Natural Science Foundation of China(No.52163001)the Guizhou Provincial Science and Technology Program Project Grant,China(Qiankehe Platform Talents-CXTD[2021]005,Qiankehe Platform Talents-GCC[2022]010-1,Qiankehe Fuqi[2023]001,Qiankehe Platform Talents-GCC[2023]035,and Qiankehe Platform Talents-CXTD[2023]003)+3 种基金the Guizhou Minzu University Research Platform Grant,China(No.GZMUGCZX[2021]01)the Central Guided Local Science and Technology Development Funds Project,China(Qiankehe Zhong Yindi[2023]035)the Green Chemistry and Resource Environment Innovation Team of Guizhou Higher Education Institutions,China(Guizhou Education and Technology[2022]No.13)the Doctor Startup Fund of Guizhou Minzu University,China(No.GZMUZK[2024]QD77).
文摘With the wide application of electromagnetic wave,a high performance electromagnetic shielding material is urgently needed to solve the harm caused by electromagnetic wave.Complete cross-linking strategy is adopted in this paper.Polyacrylamide(PAM)was synthesized by in-situ polymerization of acrylamide(AM)monomer.The obtained PAM was blended with polyethylene glycol(PEG)to prepare PAM/PEG hydrogels and form rigid support structures.Subsequently,the modified carbon nanotubes(S-CNTs)were incorpor-ated into sodium alginate(SA)and PAM/PEG.Finally,Na+was used to trigger SA self-assembly,which significantly improved the mechanical properties and electrical conductivity of the hydrogels,and prepared PAM/PEG/SA/S-CNTs-Na hydrogels with high tough-ness and strong electromagnetic interference(EMI)shielding efficiency(SE).The results showed that the compressive strength of PAM/PEG/SA/S-CNTs-Na hydrogel was 19.05 MPa,which was 7.69%higher than that of PAM/PEG hydrogel(17.69 MPa).More en-couraging,the average EMI SE of PAM/PEG/SA/S-CNTs-Na hydrogels at a thickness of only 3 mm and a CNTs content of 16.53wt%was 32.92 dB,which is 113.21%higher than that of PAM/PEG hydrogels(15.44 dB).
基金financially supported by the National Natural Science Foundation of China(No.52163001)Guizhou Provincial Science and Technology Program Project(Nos.Qiankehe Platform Talents-CXTD[2021]005,Qiankehe Platform Talents-GCC[2022]010-1,Qiankehe Platform TalentsGCC[2023]035,Qiankehe Platform Talents-CXTD[2023]003 and Qiankehe Platform Talents-KXJZ[2024]022)+3 种基金Guizhou Minzu University Research Platform(No.GZMUGCZX[2021]01)the Central Guided Local Science and Technology Development Funds Project(No.Qiankehe Zhong Yindi[2023]035)the Doctor Startup Fund of Guizhou Minzu University(No.GZMUZK[2024]QD77)Guizhou Province Special Fund for innovative capacity building of scientific research institutions(Nos.Qiankehe Fuqi[2023]001 and Qiankehe Fuqi[2024]002-1)
文摘With the widespread popularity of electronic equipment and rapid development of wireless communication technology,electromagnetic shielding materials possessing thermal insulation properties can effectively block electromagnetic radiation for ensuring normal operation of electronic equipment and human health,while providing heat insulation to improve energy efficiency and protect equipment from high temperatures.In this study,we employ covalent organic skeleton(COF)to optimize Ti_(3)C_(2)T_(x)MXene layers and successfully prepare MXene@COF heterostructures.This structure maintained the unique two-dimensional architecture of Ti_(3)C_(2)T_(x)MXene while preventing aggregation and self-stacking of MXene nanosheets through the outer COF layer.The modification increases material porosity and significantly enhances electrical conductivity.We incorporated the heterostructure into acrylamidegelatin hydrogels and controlled shielding efficiency by varying COF content.Results demonstrate that the MXene@COF-based hydrogel(15 mm p-pheny lenedi amine)exhibits high toughness,strong electromagnetic shielding capability,infrared stealth performance,and thermal insulation properties.In the X-band,mechanical tests show only 3 mm in thickness and 0.90 wt%MXene@COF content,electromagnetic shielding efficiency(EMI SE)of the material is as high as 37.52 dB,and the average total electromagnetic shielding(SE_(T))is 32.01 dB,the compressive stress is 20.85 MPa,the water content is 79.04%,and the electrical conductivity is 1.22 S m^(-1).These finding soffer new possibilities for developing COF-based electromagnetic shielding materials.
文摘Materials development has historically been driven by human needs and desires, and this is likely to con- tinue in the foreseeable future. The global population is expected to reach ten billion by 2050, which will promote increasingly large demands for clean and high-ef ciency energy, personalized consumer prod- ucts, secure food supplies, and professional healthcare. New functional materials that are made and tai- lored for targeted properties or behaviors will be the key to tackling this challenge. Traditionally, advanced materials are found empirically or through experimental trial-and-error approaches. As big data generated by modern experimental and computational techniques is becoming more readily avail- able, data-driven or machine learning (ML) methods have opened new paradigms for the discovery and rational design of materials. In this review article, we provide a brief introduction on various ML methods and related software or tools. Main ideas and basic procedures for employing ML approaches in materials research are highlighted. We then summarize recent important applications of ML for the large-scale screening and optimal design of polymer and porous materials, catalytic materials, and energetic mate- rials. Finally, concluding remarks and an outlook are provided.
基金the financial supports from the National Natural Science Foundation of China(Nos.42066003,51701053)Hainan Provincial Natural Science Foundation of China(Nos.420RC522,517076)the Shanghai Synchrotron Radiation Facility,China(Nos.2018-SSRF-PT-003860,A01202001004).
文摘Corrosion,more specifically,pitting corrosion happening extremely in marine environments,leads to lifespan of materials drastically decreasing in service,which causes enormous economic loss and even environmental disaster and casualties.In the past decade,increasing efforts have been made to study the corrosion behaviors of materials in chloride-containing aqueous environments.Herein,this work provides an overview of recent progress in understanding the degradation mechanism and improving the corrosion resistance and corrosion-wear resistance of materials from bulk metal to surface treatment involving organic coating,metal and its alloy or compound coating.The particular emphasis is given to the periodic layered structures(PLSs),whose anti-corrosion properties outperformed others to some extent,wherever in terms of bulk metal or surface treatment,regardless of aggressive environment(corrosion or corrosion-wear conditions).Numerical simulation based on kinds of models at different scales is introduced to deeply understand the process of corrosion and/or corrosion-wear in chloride-containing aqueous environment.Combined experimental result with numerical simulation,the micro-galvanic corrosion dominated degradation mechanism of PLSs is critically analyzed.Types of setups to realize corrosion-wear in laboratory are also summarized.At last,future research and development are prospected,offering to develop a basic application of PLSs designed by corrosion protection methodology in the near future.
基金financial support from National Natural Science Foundation of China(21776074,21576081,and21861132019)
文摘A computer-aided ionic liquid design(CAILD) study is presented for the frequently encountered alkane/cycloalkane separations in petrochemical industry. Exhaustive experimental data are first collected to extend the UNIFAC-IL model for this system, where the proximity effect in alkanes and cycloalkanes is considered specifically by defining distinct groups. The thermodynamic performances of a large number of ILs for 4 different alkane/cycloalkane systems are then compared to select a representative example of such separations. By applying n-heptane/methylcyclohexane extractive distillation as a case study, the CAILD task is cast as a mixed-integer nonlinear programming(MINLP) problem based on the obtained task-specific UNIFAC-IL model and two semi-empirical models for IL physical properties. The top 5 IL candidates determined by solving the MINLP problem are subsequently introduced into Aspen Plus for process simulation and economic analysis, which finally identify 1-hexadecyl-methylpiperidinium tricyanomethane([C_(16)MPip][C(CN)_3]) as the best entrainer for this separation.
文摘The world’s increasing population requires the process industry to produce food,fuels,chemicals,and consumer products in a more efficient and sustainable way.Functional process materials lie at the heart of this challenge.Traditionally,new advanced materials are found empirically or through trial-and-error approaches.As theoretical methods and associated tools are being continuously improved and computer power has reached a high level,it is now efficient and popular to use computational methods to guide material selection and design.Due to the strong interaction between material selection and the operation of the process in which the material is used,it is essential to perform material and process design simultaneously.Despite this significant connection,the solution of the integrated material and process design problem is not easy because multiple models at different scales are usually required.Hybrid modeling provides a promising option to tackle such complex design problems.In hybrid modeling,the material properties,which are computationally expensive to obtain,are described by data-driven models,while the well-known process-related principles are represented by mechanistic models.This article highlights the significance of hybrid modeling in multiscale material and process design.The generic design methodology is first introduced.Six important application areas are then selected:four from the chemical engineering field and two from the energy systems engineering domain.For each selected area,state-ofthe-art work using hybrid modeling for multiscale material and process design is discussed.Concluding remarks are provided at the end,and current limitations and future opportunities are pointed out.
基金the financial support from Max Planck Society,Germany,for the Computer-Aided Material and Process Design(CAMPD)project
文摘The selection of phase change material(PCM)plays an important role in developing high-efficient thermal energy storage(TES)processes.Ionic liquids(ILs)or organic salts are thermally stable,non-volatile,and non-flammable.Importantly,researchers have proved that some ILs possess higher latent heat of fusion than conventional PCMs.Despite these attractive characteristics,yet surprisingly,little research has been performed to the systematic selection or structural design of ILs for TES.Besides,most of the existing work is only focused on the latent heat when selecting PCMs.However,one should note that other properties such as heat capacity and thermal conductivity could affect the TES performance as well.In this work,we propose a computer-aided molecular design(CAMD)based method to systematically design IL PCMs for a practical TES process.The effects of different IL properties are simultaneously captured in the IL property models and TES process models.Optimal ILs holding a best compromise of all the properties are identified through the solution of a formulated CAMD problem where the TES performance of the process is maximized.[MPyEtOH][TfO]is found to be the best material and excitingly,the identified top nine ILs all show a higher TES performance than the traditional PCM paraffin wax at 10 h thermal charging time.
基金This work was supported by the National Natural Science Foundation of China(Grant No.51736008)“Transformational Technologies for Clean Energy and Demonstration”,Strategic Priority Research Program of the Chinese Academy of Sciences(Grant No.XDA21050303).
文摘Trailing edge serrations(TESs)are capable of noticeably suppressing the turbulent trailing edge noise induced by rotating wind turbine blades and become an integral part of a blade.However,the challenges involved in the dimensional design of serration height 2 h,wavelengthλand flap angleϕare yet to be dealt with in a satisfactory manner.To address the problem,a general model for simulating the effects of serrations on the hydrodynamic and aeroacoustic performance is proposed due to its ease of use and relatively low requirements for user input.The solid serrations are replicated by momentum sources calculated by its aerodynamic forces.Then,a case relevant to wind turbine airfoil is examined,a hybrid improved delay detached eddy simulation(IDDES)method coupled with FW-H integration is deployed to obtain the flow features and far-field sound pressure level.It is found that the modeling method could reproduce the flow field and noise as serrated airfoil.
基金supported by the National Natural Science Foundation of China(No.11721202)。
文摘The influence of local cooling/heating on two types of nonlinear instabilities of the high-speed boundary layer,namely,the First and Second Mode Oblique Breakdown(FMOB and SMOB),is studied using direct numerical simulations.Local cooling and heating are performed at the weak and strong nonlinear stages of the two types of nonlinear instabilities.It is found that for the FMOB,local cooling at the weak nonlinear region will suppress the increase of the fundamental mode,leading to transition delay.Opposite to local cooling,local heating at the weak nonlinear region of the FMOB will promote the growth of the fundamental mode,resulting in the occurrence of more upstream transition onset.However,if local cooling and heating are performed at the strong nonlinear region,the influence of both local cooling and heating on the FMOB can be neglected.Remarkably,both local heating and cooling can delay the SMOB for different mechanisms.Performing local cooling at the weak nonlinear region of the SMOB,the low amplitude of higher spanwise wavenumber steady mode caused by local cooling lies behind transition delay.When local cooling is set at the strong nonlinear region,the low amplitude of harmonic modes around the cooling area can cause transition delay.Additionally,local heating will suppress the SMOB for the slowing amplification rate of various modes caused by the local heating at both the weak and strong nonlinear stages of the SMOB.
基金funded by National Natural Science Foundation of China(Nos.52075138 and 61964006)Hainan Provincial Natural Science Foundation(No.2019RC032)Hainan Province Science and Technology Special Fund(No.ZDYF2022SHFZ033)。
文摘Nanopore detection is a hot issue in current research.One of the challenges is how to slow down the transport velocity of nanoparticles in nanopores.In this paper,we propose a functional group modified nanopore.That means a polyelectrolyte brush layer is grafted on the surface of the nanopore to change the surface charge properties.The existing studies generally set the charge density of the brush layer to a fixed value.On the contrary,in this paper,we consider an essential property of the brush layer:the volume charge density is adjustable with pH.Thus,the charge property of the brush layer will change with the local H+concentration.Based on this,we established a mathematical model to study the transport of nanoparticles in polyelectrolyte brush layer modified nanopores.We found that pH can effectively adjust the charge density and even the polarity of the brush layer.A larger pH can reduce the transport velocity of nanoparticles and improve the blockade degree of ion current.The grafting density does not change the polarity of the brush charge.The larger the grafting density,the greater the charge density of the brush layer,and the blockade degree of ion current is also more obvious.The polyelectrolyte brush layer modified nanopores in this paper can effectively reduce the nanoparticle transport velocity and retain the essential ion current characteristics,such as ion current blockade and enhancement.
基金supported by the National Natural Science Foundation of China Project(No.52163001)the Guizhou Minzu University Research Platform Grant(No.GZMUGCZX[2021]01)+1 种基金the Guizhou Provincial Science and Technology Program Project Grant(Nos.Qiankehe Platform Talents-CXTD[2021]005Qiankehe Platform Talents-GCC[2022]010-1).
文摘N/B co-doped porous carbon materials(NBPCs)are regarded as an ideal cathode material for Zn-ion hybrid supercapacitors(ZHSCs).As a capacitive cathode material,the improvement of specific surface area(SSA)and pore structure can efficiently enhance the capacity and rate capability of NBPCs.However,the B atom doping progress will patch up the defect and pore of NBPCs,thereby impeding the further expansion of the SSA area and porous structure.This paper designs a new route for high-efficiency fabrication of NBPCs with high SSA and rich pore structure,employing biomass waste as the carbon source and a novel deep eutectic solvent(DES)as the activation agent.The obtained NBPCs process superior SSA(2270 m^(2)g^(-1))and abundant pore structure with rich B,N-doping level.Notably,an interesting occupied effect of doped B atoms on the N-doped carbon network can be identified,which optimizes the proportion of N-contained surface functional groups,leading to the enhancement of conductivity and capacity in NBPCs.Together with the large SSA,high B,N-doping level,an appropriate proportion of N-contained surface groups,and hierarchical porous structure,the NBPC-3 sample exhibits excellent electrochemical performance as cathode materials for ZHSCs,with an energy density of 139.46 W h kg^(-1).
文摘Objective:To explore the relationship between different healing degree and C peptide in elderly patients with diabetic foot ulcers.Methods:Totally, two hundred and forty-one DFU patients were selected into our research from September 2nd, 2011 to September 2nd, 2012. After admission, the patients' sex, age, the course of diabetes, the days of hospitalization, and BMI were recorded. After examination, blood routine and blood biochemistry, urine routine, hepatorenal work were recorded. Follow up 5 years, patients with unhealed ulcers were selected into bad prognosis group during follow-up, and patients with ulcerative healing into good prognosis group. Single factor analysis showed factors affecting the healing of DFU patients;Cox proportional risk model was further evaluated the effect of all factors with statistical significance on the healing of DFU patients. Using the ROC curve to analyze the statistically significant factors and to calculate the area under the curve to evaluate the predictive ability of the healing of the patients with DFU.Results: At the end of the follow-up, 6 patients were lost, 177 had the end point, and the healing rate was 73.44%. Single factor and multifactor analysis showed that the course of diabetes and HbA1C were independent risk factors affecting the prognosis. FCP was an independent protective factor affecting the prognosis. In ROC, the AUC of diabetes course was 0.754 under the ROC curve. The AUC of HbA1C under the line is 0.791, while the AUC of FCP level is 0.581 under the ROC curve.Conclusion: Low FCP is an independent risk factor for DFU healing, but FCP has little predictive effect on patient healing.
基金supported by the National Natural Science Foundation of China (grant no.82072915 and 82373359)the Project of Shanghai Municipal Health Commission (grant no.202140397)+2 种基金CSCO-ROCHE Cancer Research Fund 2019 (grant no.Y-2019Roche-171)Chinese Young Breast Experts Research Project (grant no.CYBER-2021-001)Beijing Science and Technology Innovation Medical Development Foundation Key Project (grant no.KC2022-ZZ-0091-6).
文摘NF-κB signaling has been discovered for nearly 40 years.Initially,NF-κB signaling was identified as a pivotal pathway in mediating inflammatory responses.However,with extensive and in-depth investigations,researchers have discovered that its role can be expanded to a variety of signaling mechanisms,biological processes,human diseases,and treatment options.In this review,we first scrutinize the research process of NF-κB signaling,and summarize the composition,activation,and regulatory mechanism of NF-κB signaling.We investigate the interaction of NF-κB signaling with other important pathways,including PI3K/AKT,MAPK,JAK-STAT,TGF-β,Wnt,Notch,Hedgehog,and TLR signaling.The physiological and pathological states of NF-κB signaling,as well as its intricate involvement in inflammation,immune regulation,and tumor microenvironment,are also explicated.Additionally,we illustrate how NF-κB signaling is involved in a variety of human diseases,including cancers,inflammatory and autoimmune diseases,cardiovascular diseases,metabolic diseases,neurological diseases,and covID-19.Further,we discuss the therapeutic approaches targeting NF-κB signaling,including IKK inhibitors,monoclonal antibodies,proteasome inhibitors,nuclear translocation inhibitors,DNA binding inhibitors,TKls,non-coding RNAs,immunotherapy,and CAR-T.Finally,we provide an outlook for research in the field of NF-κB signaling.We hope to present a stereoscopic,comprehensive NF-κB signaling that will inform future research and clinical practice.
基金This work is financially supported by the National Key Research and Development Project(Grant No.2019YFC0214403)the Joint Supervision Scheme with the mainland,Taiwan and Macao Universities(Grant No.SB2S to Yang A).
文摘An energy-efficient triple-column extractive distillation process is developed for recovering tetrahydrofuran and ethyl acetate from industrial effluent.The process development follows a rigorous hierarchical design procedure that involves entrainer design,thermodynamic analysis,process design and optimization,and heat integration.The computer-aided molecular design method is firstly used to find promising entrainer candidates and the best one is determined via rigorous thermodynamic analysis.Subsequently,the direct and indirect triple-column extractive distillation processes are proposed in the conceptual design step.These two extractive distillation processes are then optimized by employing an improved genetic algorithm.Finally,heat integration is performed to further reduce the process energy consumption.The results indicate that the indirect extractive distillation process with heat integration shows the highest performance in terms of the process economics.
文摘Functional materials are widely used in chemical industry in order to reduce the process cost while simultaneously increase the product quality.Considering their significant effects,systematic methods for the optimal selection and design of materials are essential.The conventional synthesis-and-test method for materials development is inefficient and costly.Additionally,the performance of the resulting materials is usually limited by the designer’s expertise.During the past few decades,computational methods have been significantly developed and they now become a very important tool for the optimal design of functional materials for various chemical processes.This article selectively focuses on two important process functional materials,namely heterogeneous catalyst and gas separation agent.Theoretical methods and representative works for computational screening and design of these materials are reviewed.
基金We thank the National Key R&D Program of China(No.2020YFA0710401)the National Natural Science Foundation of China(Nos.82225012,81922019,82071161,81991505,22122207,21988102,and 52075138)+1 种基金the Young Elite Scientist Sponsorship Program by CAST(No.2020QNRC001)the Beijing Nova Program(No.211100002121013).
文摘Dentine hypersensitivity is an annoying worldwide disease,yet its mechanism remains unclear.The long-used hydrodynamic theory,a stimuli-induced fluid-flow process,describes the pain processes.However,no experimental evidence supports the statements.Here,we demonstrate that stimuli-induced directional cation transport,rather than fluid-flow,through dentinal tubules actually leads to dentine hypersensitivity.The in vitro/in vivo electro-chemical and electro-neurophysiological approaches reveal the cation current through the nanoconfined negatively charged dentinal tubules coming from external stimuli(pressure,pH,and temperature)on dentin surface and further triggering the nerve impulses causing the dentine hypersensitivity.Furthermore,the cationic-hydrogels blocked dentinal tubules could significantly reduce the stimuli-triggered nerve action potentials and the anionhydrogels counterpart enhances those,supporting the cation-flow transducing dentine hypersensitivity.Therefore,the inspired ion-blocking desensitizing therapies have achieved remarkable pain relief in clinical applications.The proposed mechanism would enrich the basic knowledge of dentistry and further foster breakthrough initiatives in hypersensitivity mitigation and cure.
