Scar formation resulting from burns or severe trauma can significantly compromise the structural integrity of skin and lead to permanent loss of skin appendages,ultimately impairing its normal physiological function.A...Scar formation resulting from burns or severe trauma can significantly compromise the structural integrity of skin and lead to permanent loss of skin appendages,ultimately impairing its normal physiological function.Accumulating evidence underscores the potential of targeted modulation of mechanical cues to enhance skin regeneration,promoting scarless repair by influencing the extracellular microenvironment and driving the phenotypic transitions.The field of skin repair and skin appendage regeneration has witnessed remarkable advancements in the utilization of biomaterials with distinct physical properties.However,a comprehensive understanding of the underlying mechanisms remains somewhat elusive,limiting the broader application of these innovations.In this review,we present two promising biomaterial-based mechanical approaches aimed at bolstering the regenerative capacity of compromised skin.The first approach involves leveraging biomaterials with specific biophysical properties to create an optimal scarless environment that supports cellular activities essential for regeneration.The second approach centers on harnessing mechanical forces exerted by biomaterials to enhance cellular plasticity,facilitating efficient cellular reprogramming and,consequently,promoting the regeneration of skin appendages.In summary,the manipulation of mechanical cues using biomaterial-based strategies holds significant promise as a supplementary approach for achieving scarless wound healing,coupled with the restoration of multiple skin appendage functions.展开更多
Graphene nanoplatelets(GNPs)have attracted tremendous interest due to their unique properties and bonding capabilities.This study focuses on the effect of GNP dispersion on the mechanical,thermal,and morphological beh...Graphene nanoplatelets(GNPs)have attracted tremendous interest due to their unique properties and bonding capabilities.This study focuses on the effect of GNP dispersion on the mechanical,thermal,and morphological behavior of GNP/epoxy nanocomposites.This study aims to understand how the dispersion of GNPs affects the properties of epoxy nanocomposite and to identify the best dispersion approach for improving mechanical performance.A solvent mixing technique that includes mechanical stirring and ultrasonication was used for producing the nanocomposites.Fourier transform infrared spectroscopy was used to investigate the interaction between GNPs and the epoxy matrix.The measurements of density and moisture content were used to confirm that GNPs were successfully incorporated into the nanocomposite.The findings showed that GNPs are successfully dispersed in the epoxy matrix by combining mechanical stirring and ultrasonication in a single step,producing well-dispersed nanocomposites with improved mechanical properties.Particularly,the nanocomposites at a low GNP loading of 0.1 wt%,demonstrate superior mechanical strength,as shown by increased tensile properties,including improved Young's modulus(1.86 GPa),strength(57.31 MPa),and elongation at break(4.98).The nanocomposite with 0.25 wt%GNP loading performs better,according to the viscoelastic analysis and flexural properties(113.18 MPa).Except for the nanocomposite with a 0.5 wt%GNP loading,which has a higher thermal breakdown temperature,the thermal characteristics do not significantly alter.The effective dispersion of GNPs in the epoxy matrix and low agglomeration is confirmed by the morphological characterization.The findings help with filler selection and identifying the best dispersion approach,which improves mechanical performance.The effective integration of GNPs and their interaction with the epoxy matrix provides the doorway for additional investigation and the development of sophisticated nanocomposites.In fields like aerospace,automotive,and electronics where higher mechanical performance and functionality are required,GNPs'improved mechanical properties and successful dispersion present exciting potential.展开更多
Advances in genomics,proteomics,and metabolomics have revealed associations between specific microbiota species in health and disease.However,the precise mechanism(s)of action for many microbiota species and molecules...Advances in genomics,proteomics,and metabolomics have revealed associations between specific microbiota species in health and disease.However,the precise mechanism(s)of action for many microbiota species and molecules have not been fully elucidated,limiting the development of microbiota-based diagnostics and therapeutics.In this Review,we highlight innovative chemical and genetic approaches that are enabling the dissection of microbiota mechanisms and providing causation in health and disease.Although specific microbiota molecules and mechanisms have begun to emerge,new approaches are still needed to go beyond phenotypic associations and translate microbiota discoveries into actionable targets and therapeutic leads to prevent and treat diseases.展开更多
Globally,hyperuricemia is a growing health,social,and economic problem which could cause gout,chronic kidney diseases and other diseases.There are increasing evidences that a sensible diet makes sense to reduce the ri...Globally,hyperuricemia is a growing health,social,and economic problem which could cause gout,chronic kidney diseases and other diseases.There are increasing evidences that a sensible diet makes sense to reduce the risk of hyperuricemia.This review aims to explore the metabolic mechanism of dietary factors and effects of dietary types associated with hyperuricemia.Recommendations for dietary modification to prevent hyperuricemia are as following:decreasing intake of animal organs,seafood,sugar-sweetened,and alcohol beverages is essential;choosing water or unsweetened tea and coffee instead of sweetened beverages is beneficial;and increasing intake of vegetables,reduced-fat dairy products,foods containing fiber,micronutrients and unsaturated fatty acids is helpful.In addition,consumption of fruits and legumes in moderation is advantageous,and low-fructose of fruits and low-purine of non-soy beans are recommended.Moreover,personalized diet needs to be emphasized for hyperuricemic patients accompanied with diverse metabolic diseases.展开更多
Ganoderma lingzhi is a new species of the prize medicinal mushroom Ganoderma(Agaricomycetes).Using angiotensin I-converting enzyme(ACE)as a target,a tripeptide Ser-Tyr-Pro(SYP)was discovered with preponderant ACE inhi...Ganoderma lingzhi is a new species of the prize medicinal mushroom Ganoderma(Agaricomycetes).Using angiotensin I-converting enzyme(ACE)as a target,a tripeptide Ser-Tyr-Pro(SYP)was discovered with preponderant ACE inhibitory activity with an 50%inhibiting concentration(IC_(50))value of 62.50μg/mL attribute to the formed salt bridge and hydrogen bonds between SYP and ACE.SYP even maintained superior bioactivity after intestinal digestion,and exerted no cytotoxicity,but presented incomplete bioavailability in blood of spontaneous hypertensive rats(SHRs).Furthermore,it performed antihypertensive effect in vivo by inhibiting the influx of Ca^(2+)through activating endothelial NO synthase(e NOS)/NO/guanosine 3',5'-cyclic monophosphate(c GMP)pathway,accompanied by attenuating angiotensin II(Ang II)/NADPH oxidase(NOX)/reactive oxygen species(ROS)pathway.This work not only discoverers a novel pharmacological ingredient from medicinal mushroom G.lingzhi for hypertension therapy,but also provides an insight into molecular mechanism of the ACE inhibitory peptide(ACEIP)on lowering blood pressure.展开更多
Inflammatory bowel disease(IBD)is a chronic gastrointestinal disease with a high incidence.Treatment for IBD includes medications and diet,and common anti-inflammatory medications have limitations like drug resistance...Inflammatory bowel disease(IBD)is a chronic gastrointestinal disease with a high incidence.Treatment for IBD includes medications and diet,and common anti-inflammatory medications have limitations like drug resistance and serious adverse effects.Accumulating evidence has demonstrated that dietary flavonoids exhibit an alleviative effect on IBD by influencing gut microbiota.The microbiota-derived metabolites also regulate IBD and maintain intestinal homeostasis.In this review,we investigate the therapeutic effect of gut microbiota and metabolites on IBD by intestinal immune and intestinal barrier function.We demonstrate the underlying mechanism of dietary flavonoids as an anti-inflammatory molecule alleviating IBD by regulating gut microbiota,short chain fatty acid(SCFA),bile acid(BA),tryptophan(Trp)metabolism and lipopolysaccharides(LPS)-toll-like receptor 4(TLR4)signaling pathway.Based on structural differences of flavonoids,we summarize the recent research progress on the role of different dietary flavonoids in alleviating IBD by gut microbiota and metabolites in animal and clinical trials.This review indicates that dietary flavonoids targeting gut microbiota and metabolites provide a promising strategy for the treatment of inflammation and novel insights into the management of IBD.展开更多
We investigate theoretically the enhancement of mechanical squeezing in a multimode optomechanical system by introducing a coherent phonon–photon interaction via the backward stimulated Brillouin scattering(BSBS)proc...We investigate theoretically the enhancement of mechanical squeezing in a multimode optomechanical system by introducing a coherent phonon–photon interaction via the backward stimulated Brillouin scattering(BSBS)process.The coherent photon–phonon interaction where two optical modes couple to a Brillouin acoustic mode with a large decay rate provides an extra channel for the cooling of a Duffing mechanical oscillator.The squeezing degree and the robustness to the thermal noises of the Duffing mechanical mode can be enhanced greatly.When the Duffing nonlinearity is weak,the squeezing degree of the mechanical mode in the presence of BSBS can be improved by more than one order of magnitude compared with that in the absence of BSBS.Our scheme may be extended to other quantum systems to study novel quantum effects.展开更多
The use of ultra-high molecular weight polyethylene(UHMWPE)composite in the design of lightweight protective equipment,has gained a lot of interest.However,there is an urgent need to understand the ballistic response ...The use of ultra-high molecular weight polyethylene(UHMWPE)composite in the design of lightweight protective equipment,has gained a lot of interest.However,there is an urgent need to understand the ballistic response mechanism and theoretical prediction model of performance.This paper explores the ballistic response mechanism of UHMWPE composite through experimental and simulation analyses.Then,a resistance-driven modeling method was proposed to establish a theoretical model for predicting the bulletproof performance.The ballistic response mechanism of UHMWPE composite encompassed three fundamental modes:local response,structural response,and coupled response.The occurrence ratio of these fundamental response modes during impact was dependent on the projectile velocity and laminate thickness.The bulletproof performance of laminate under different response modes was assessed based on the penetration depth of the projectile,the bulging height on the rear face of the laminate,the thickness of remaining sub-laminate,and residual velocity of the projectile.The absolute deviations of bulletproof performance indicator between theoretical value and experimental value were well within 11.13%,demonstrating that the established evaluation model possessed high degree of prediction accuracy.展开更多
Hydraulic fracture(HF)formed in rock significantly helps with the development of geo-energy and georesources.The HF formation condition was challenging to understand,with obscure rock micro-cracking mechanisms being a...Hydraulic fracture(HF)formed in rock significantly helps with the development of geo-energy and georesources.The HF formation condition was challenging to understand,with obscure rock micro-cracking mechanisms being a key factor.The rock micro-cracking mechanism under gradient pore water pressure was analyzed on the scale of mineral particles and it was combined with macroscopic boundary conditions of rock hydraulic fracturing,obtaining the propagation criterion of HF in rock based on the rock micro-cracking mechanism which was verified by experiment.The results show that the disturbed skeleton stress induced by the disturbance of gradient pore water pressure in rock equals the pore water pressure difference.The overall range of the defined mechanical shape factor a/b is around 1,but greater than0.5.Under the combined influence of pore water pressure differences and macroscopic boundary stresses on the rock micro-cracking,micro-cracks form among rock mineral particles,micro-cracks connect to form micro-hydraulic fracture surfaces,and micro-hydraulic fracture surfaces open to form macrohydraulic fractures.HF begins to form at the micro-cracking initiation pressure(MCIP),which was tested by keeping the HF tip near the initiation point.The theoretical value of MCIP calculated by the proposed propagation criterion is close to MCIP tested.展开更多
Potassium-ion batteries(PIBs)are considered as a promising energy storage system owing to its abundant potassium resources.As an important part of the battery composition,anode materials play a vital role in the futur...Potassium-ion batteries(PIBs)are considered as a promising energy storage system owing to its abundant potassium resources.As an important part of the battery composition,anode materials play a vital role in the future development of PIBs.Bismuth-based anode materials demonstrate great potential for storing potassium ions(K^(+))due to their layered structure,high theoretical capacity based on the alloying reaction mechanism,and safe operating voltage.However,the large radius of K^(+)inevitably induces severe volume expansion in depotassiation/potassiation,and the sluggish kinetics of K^(+)insertion/extraction limits its further development.Herein,we summarize the strategies used to improve the potassium storage properties of various types of materials and introduce recent advances in the design and fabrication of favorable structural features of bismuth-based materials.Firstly,this review analyzes the structure,working mechanism and advantages and disadvantages of various types of materials for potassium storage.Then,based on this,the manuscript focuses on summarizing modification strategies including structural and morphological design,compositing with other materials,and electrolyte optimization,and elucidating the advantages of various modifications in enhancing the potassium storage performance.Finally,we outline the current challenges of bismuth-based materials in PIBs and put forward some prospects to be verified.展开更多
An atmospheric pressure plasma jet(APPJ)approach is developed to prepare platinum nanoparticles(PtNPs)under mild reaction conditions of lower temperatures and without adding chemical reagents.Optical Emission Spectros...An atmospheric pressure plasma jet(APPJ)approach is developed to prepare platinum nanoparticles(PtNPs)under mild reaction conditions of lower temperatures and without adding chemical reagents.Optical Emission Spectroscopy(OES)and X-ray Photoelectron Spectroscopy(XPS)tests revealed that the APPJ contains a large number of high-energy active particles,which can generate solvated electrons in liquid thereby promoting the rapid reduction of Pt(Ⅳ)ions into Pt(0)atoms,and these atoms gradually grow into nanoparticles.After 3 min of treatment,PtNPs exhibit excellent dispersibility with a particle size distribution ranging from 1.8 to 2.8 nm.After 5 min,the particle size increases,and aggregation occurs.The zeta potentials for the two situations were-56.0 mV and-12.5 mV respectively.The results indicate that the treatment time has a significant impact on the dispersion,particle size distribution,and sol stability of the nanoparticles.Furthermore,it reveals the formation mechanism of PtNPs prepared by APPJ,which involves the generation and expansion of nanocrystalline nuclei,and the construction of negatively charged colloidal particles.The overall mechanism highlights the importance of the plasma-liquid interaction in the synthesis of PtNPs,offering a new perspective on the controllable production of nanomaterials using plasma technology.展开更多
Lead-halide perovskite nanoparticles(LHP NPs) are highly promising materials for next-generation displays and solid-state lighting due to their exceptional optical properties. However, their inherent instability prese...Lead-halide perovskite nanoparticles(LHP NPs) are highly promising materials for next-generation displays and solid-state lighting due to their exceptional optical properties. However, their inherent instability presents a significant challenge. Recent advances have demonstrated that optoelectronic devices based on monolayer nanoparticle films exhibit both high luminescence efficiency and long-term stability.Our research demonstrates that mobility limitations and anisotropic alignments in CsPbBr3nanocube monolayer films are key to their stabilization, hindering spontaneous growth through face-to-face fusion and resulting in the formation of connecting necks in a diagonal direction. Introducing laser irradiation confirmed this by significantly accelerating nanocubes growth, increasing mobility, and enhancing local structural ordering, leading to larger and more regularly shaped nanosheets. Fourier transform infrared spectroscopy and energy dispersive spectroscopy line-scan analyses indicated that laser irradiation did not disrupt the ligand structure. Transmission electron microscopy and correlative cathodoluminescence electron microscopy revealed the effects of post-growth and heterogeneous structures, including enhanced luminescence and inhomogeneous intensity in the nanosheets. These findings deepen the understanding of the post-growth mechanism of monolayer nanoparticles and the structure-emission correlation and highlight the unique role of laser irradiation in directing the formation of well-defined and regular nanostructures.展开更多
This work aimed to(i)understand conventional and pulse gas tungsten arc welding(GTAW)of AZ31B,and(ii)explore high frequency welding(100 Hz-1500 Hz).GTA welding with alternating current(AC)and direct current electrode ...This work aimed to(i)understand conventional and pulse gas tungsten arc welding(GTAW)of AZ31B,and(ii)explore high frequency welding(100 Hz-1500 Hz).GTA welding with alternating current(AC)and direct current electrode positive(DCEP)polarities yielded crack-free partial penetration welds for6 mm thick AZ31B alloy sheet.Welding under direct current electrode negative(DCEN)polarity with identical parameters as that for AC and DCEP resulted in full penetration welds that had microcracks.Defect-free full-penetration welds could be accomplished with pulse GTA welding using DCEN polarity at a pulse frequency of 1 Hz with a pulse duration ratio of 1:1.The resultant DCEN P 1:1 weld metal had a microstructure finer than the conventional DCEN weld.Welds produced with pulse duration ratios of 1:2and 1:4 lacked penetration but had a much finer microstructures because of the lower heat input.The arc constriction by the high frequency pulsing in the Activ Arc■-High frequency(AA-HF)mode welding was responsible for deeper penetration.Welds produced under DCEN pulsing and AA-HF conditions had hardness higher than conventional DCEN,DCEP and AC GTA welds,attributed to the finer microstructure.AA-HF GTA welding produced defect free deeper penetration welds with good microstructural features/mechanical properties and also gave an advantage of 50%enhanced productivity when welded at1500 Hz.展开更多
Lonicera japonica(honeysuckle)is a traditional Chinese medicinal food,in which the main active ingredients are phenolic acids,polysaccharides,flavonoids,and volatile oils.They have various biological activities,includ...Lonicera japonica(honeysuckle)is a traditional Chinese medicinal food,in which the main active ingredients are phenolic acids,polysaccharides,flavonoids,and volatile oils.They have various biological activities,including antiviral,antibacterial,antioxidant,hypoglycemic and lipid-lowering,and anti-inflammatory effects.This review summarizes the health effects and pharmacodynamic mechanisms of L.japonica extracts and the major active ingredients in these extracts,and the structures,metabolic process in vivo,and biotransformation processes of these compounds.In addition,the current status of the development of L.japonica-related functional foods is summarized.The aim is to provide a theoretical basis and reference for the further development and use of the active ingredients in L.japonica as functional foods for disease prevention and treatment.展开更多
With resource exploitation and engineering construction gradually going deeper,the surrounding rock dynamic disaster becomes frequent and violent.The anchorage support is a common control method of surrounding rock in...With resource exploitation and engineering construction gradually going deeper,the surrounding rock dynamic disaster becomes frequent and violent.The anchorage support is a common control method of surrounding rock in underground engineering.To study the dynamic damage characteristics of anchored rock and the energy absorption control mechanism of dynamic disasters,a new type of constant resistance and energy absorption(CREA)material with high strength,high elongation and high energy absorption characteristics is developed.A contrast test of rockbursts in anchored rock with different support materials is conducted.The test results show that the surface damage rates and energy release degree of anchored rock with common bolt(CB)and CREA are lower than those of unanchored rock,respectively.The total energy,average energy and maximum energy released by CREA anchored rock are 30.9%,94.3%and 84.4%lower than those of CB anchored rock.Compared with unanchored rock,the rockburst peak stress in the CREA anchored rock is increased by 39.9%,and the rockburst time is delayed by 53.2%.Based on the rockburst energy calculation model,the evolution law of rockburst peak stress and energy release is investigated.The control mechanism of CREA support units on rock dynamic failure is clarified.展开更多
Rapid advances in thermal management technology and the increasing need for multi-energy conversion have placed stringent energy efficiency requirements on next-generation shape-stable composite phase change materials...Rapid advances in thermal management technology and the increasing need for multi-energy conversion have placed stringent energy efficiency requirements on next-generation shape-stable composite phase change materials(PCMs).Magnetically-responsive phase change thermal storage materials are considered an emerging concept for energy storage systems,enabling PCMs to perform unprecedented functions(such as green energy utilization,magnetic thermotherapy,drug release,etc.).The combination of multifunctional magnetic nanomaterials and PCMs is a milestone in the creation of advanced multifunctional composite PCMs.However,a timely and comprehensive review of composite PCMs based on magnetic nanoparticle modification is still missing.Herein,we furnish an exhaustive exposition elucidating the cutting-edge advancements in magnetically responsive composite PCMs.We delve deeply into the multifarious roles assumed by distinct nanoparticles within composite PCMs of varying dimensions,meticulously scrutinizing the intricate interplay between their architectures and thermophysical attributes.Moreover,we prognosticate future research trajectories,delineate alternative stratagems,and illuminate prospective avenues.This review is intended to stimulate broader academic interest in interdisciplinary fields and provide valuable insights into the development of next-generation magnetically-responsive composite PCMs.展开更多
Uranium–molybdenum(U–Mo) alloys are critical for nuclear power generation and propulsion because of their superior thermal conductivity, irradiation stability, and anti-swelling properties. This study explores the p...Uranium–molybdenum(U–Mo) alloys are critical for nuclear power generation and propulsion because of their superior thermal conductivity, irradiation stability, and anti-swelling properties. This study explores the plastic deformation mechanisms of γ-phase U–Mo alloys using molecular dynamics(MD) simulations. In the slip model, the generalized stacking fault energy(GSFE) and the modified Peierls–Nabarro(P–N) model are used to determine the competitive relationships among different slip systems. In the twinning model, the generalized plane fault energy(GPFE) is assessed to evaluate the competition between slip and twinning. The findings reveal that among the three slip systems, the {110}<111>slip system is preferentially activated, while in the {112}<111> system, twinning is favored over slip, as confirmed by MD tensile simulations conducted in various directions. Additionally, the impact of Mo content on deformation behavior is emphasized. Insights are provided for optimizing process conditions to avoid γ → α′′ transitions, thereby maintaining a higher proportion of γ-phase U–Mo alloys for practical applications.展开更多
In order to analyze the influences of storage aging on the safety of typical elemental explosives,the aged cyclotrimethylene trinitramine(RDX)and cyclotetramethylene tetranitramine(HMX)were prepared by isothermal agin...In order to analyze the influences of storage aging on the safety of typical elemental explosives,the aged cyclotrimethylene trinitramine(RDX)and cyclotetramethylene tetranitramine(HMX)were prepared by isothermal aging tests.The reaction thresholds of aged RDX and HMX under any ignition probability were studied by Langlie-Optimal D method.The thermal decomposition characteristics of RDX and HMX after aging were analyzed by DSC and ARC.Experimental results showed that compared with unaged RDX and HMX,on the one hand,the critical impact energy and critical friction of RDX and HMX aged for 14,28,and 56 days are significantly reduced at an explosion probability of 50%,0.01%,and 0.0001%,respectively.With the increase of aging time,the mechanical sensitivity of RDX and HMX increases obviously.On the other hand,the initial decomposition temperature of RDX and HMX after 56 days of aging decreases,the decomposition heat decreases,the activation energy increases,and the reaction difficulty increases.展开更多
Biomass conversion offers an efficient approach to alleviate the energy and environmental issues.Electrochemical oxidation of 5-hydroxymethylfurfural(HMF)has attracted tremendous attention in the latest few years for ...Biomass conversion offers an efficient approach to alleviate the energy and environmental issues.Electrochemical oxidation of 5-hydroxymethylfurfural(HMF)has attracted tremendous attention in the latest few years for the mild synthesis conditions and high conversion efficiency to obtain 2,5-furan dicarboxylic acid(FDCA),but there still remain problems such as limited yield,short cycle life,and ambiguous reaction mechanism.Despite many reviews highlighting a variety of electrocatalysts for electrochemical oxidation of HMF,a detailed discussion of the structural modulation of catalyst and the underlying catalytic mechanism is still lacking.We herein provide a comprehensive summary of the recent development of electrochemical oxidation of HMF to FDCA,particularly focusing on the mechanism studies as well as the advanced strategies developed to regulate the structure and optimize the performance of the electrocatalysts,including heterointerface construction,defect engineering,single-atom engineering,and in situ reconstruction.Experimental characterization techniques and theoretical calculation methods for mechanism and active site studies are elaborated,and challenges and future directions of electrochemical oxidation of HMF are also prospected.This review will provide guidance for designing advanced catalysts and deepening the understanding of the reaction mechanism beneath electrochemical oxidation of HMF to FDCA.展开更多
Cold atmospheric plasma(CAP)has emerged as a promising technology for the degradation of organic dyes,but the underlying mechanisms at the molecular level remain poorly understood.Using density-functional tight-bindin...Cold atmospheric plasma(CAP)has emerged as a promising technology for the degradation of organic dyes,but the underlying mechanisms at the molecular level remain poorly understood.Using density-functional tight-binding(DFTB)-based quantum chemical molecular dynamics at 300 K,we have performed numerical simulations to investigate the degradation mechanism of Disperse Red 1(DR)interacting with CAP-generated oxygen radicals.One hundred directdynamics trajectories were calculated for up to 100 ps simulation time,after which hydrogenabstraction,benzene ring-opening/expanding,formaldehyde formation and modification in the chromophoric azo group which can lead to color-losing were observed.The latter was obtained with yields of around 6%at the given temperature.These findings not only enhance our understanding of CAP treatment processes but also have implications for the development of optimized purification systems for sustainable wastewater treatment.This study underscores the utility of DFTB simulations in unraveling complex chemical processes and guiding the design of advanced treatment strategies in the context of CAP technology.展开更多
基金supported in part by the National Nature Science Foundation of China(92268206,81830064)the CAMS Innovation Fund for Medical Sciences(CIFMS,2019-I2M-5-059)+4 种基金the Military Medical Research Projects(145AKJ260015000X,2022-JCJQ-ZB-09600)the Military Key Basic Research of Foundational Strengthening Program(2020-JCJQ-ZD-256-021)the Science Foundation of National Defense Science and Technology for Excellent Young(2022-JCJQ-ZQ-017)the Military Medical Research and Development Projects(AWS17J005,2019-126)the Specific Research Fund of The Innovation Platform for Academicians of Hainan Province(YSPTZX202317).
文摘Scar formation resulting from burns or severe trauma can significantly compromise the structural integrity of skin and lead to permanent loss of skin appendages,ultimately impairing its normal physiological function.Accumulating evidence underscores the potential of targeted modulation of mechanical cues to enhance skin regeneration,promoting scarless repair by influencing the extracellular microenvironment and driving the phenotypic transitions.The field of skin repair and skin appendage regeneration has witnessed remarkable advancements in the utilization of biomaterials with distinct physical properties.However,a comprehensive understanding of the underlying mechanisms remains somewhat elusive,limiting the broader application of these innovations.In this review,we present two promising biomaterial-based mechanical approaches aimed at bolstering the regenerative capacity of compromised skin.The first approach involves leveraging biomaterials with specific biophysical properties to create an optimal scarless environment that supports cellular activities essential for regeneration.The second approach centers on harnessing mechanical forces exerted by biomaterials to enhance cellular plasticity,facilitating efficient cellular reprogramming and,consequently,promoting the regeneration of skin appendages.In summary,the manipulation of mechanical cues using biomaterial-based strategies holds significant promise as a supplementary approach for achieving scarless wound healing,coupled with the restoration of multiple skin appendage functions.
基金the Puncak RM for the project under the grant 6733204-13069 to carry out the experiments。
文摘Graphene nanoplatelets(GNPs)have attracted tremendous interest due to their unique properties and bonding capabilities.This study focuses on the effect of GNP dispersion on the mechanical,thermal,and morphological behavior of GNP/epoxy nanocomposites.This study aims to understand how the dispersion of GNPs affects the properties of epoxy nanocomposite and to identify the best dispersion approach for improving mechanical performance.A solvent mixing technique that includes mechanical stirring and ultrasonication was used for producing the nanocomposites.Fourier transform infrared spectroscopy was used to investigate the interaction between GNPs and the epoxy matrix.The measurements of density and moisture content were used to confirm that GNPs were successfully incorporated into the nanocomposite.The findings showed that GNPs are successfully dispersed in the epoxy matrix by combining mechanical stirring and ultrasonication in a single step,producing well-dispersed nanocomposites with improved mechanical properties.Particularly,the nanocomposites at a low GNP loading of 0.1 wt%,demonstrate superior mechanical strength,as shown by increased tensile properties,including improved Young's modulus(1.86 GPa),strength(57.31 MPa),and elongation at break(4.98).The nanocomposite with 0.25 wt%GNP loading performs better,according to the viscoelastic analysis and flexural properties(113.18 MPa).Except for the nanocomposite with a 0.5 wt%GNP loading,which has a higher thermal breakdown temperature,the thermal characteristics do not significantly alter.The effective dispersion of GNPs in the epoxy matrix and low agglomeration is confirmed by the morphological characterization.The findings help with filler selection and identifying the best dispersion approach,which improves mechanical performance.The effective integration of GNPs and their interaction with the epoxy matrix provides the doorway for additional investigation and the development of sophisticated nanocomposites.In fields like aerospace,automotive,and electronics where higher mechanical performance and functionality are required,GNPs'improved mechanical properties and successful dispersion present exciting potential.
文摘Advances in genomics,proteomics,and metabolomics have revealed associations between specific microbiota species in health and disease.However,the precise mechanism(s)of action for many microbiota species and molecules have not been fully elucidated,limiting the development of microbiota-based diagnostics and therapeutics.In this Review,we highlight innovative chemical and genetic approaches that are enabling the dissection of microbiota mechanisms and providing causation in health and disease.Although specific microbiota molecules and mechanisms have begun to emerge,new approaches are still needed to go beyond phenotypic associations and translate microbiota discoveries into actionable targets and therapeutic leads to prevent and treat diseases.
基金supported by the National Natural Science Foundation of China(No.32122069)Beijing Outstanding Young Scientist Program(No.BJJWZYJH01201910011025)China Postdoctoral Science Foundation(No.2023M730134)。
文摘Globally,hyperuricemia is a growing health,social,and economic problem which could cause gout,chronic kidney diseases and other diseases.There are increasing evidences that a sensible diet makes sense to reduce the risk of hyperuricemia.This review aims to explore the metabolic mechanism of dietary factors and effects of dietary types associated with hyperuricemia.Recommendations for dietary modification to prevent hyperuricemia are as following:decreasing intake of animal organs,seafood,sugar-sweetened,and alcohol beverages is essential;choosing water or unsweetened tea and coffee instead of sweetened beverages is beneficial;and increasing intake of vegetables,reduced-fat dairy products,foods containing fiber,micronutrients and unsaturated fatty acids is helpful.In addition,consumption of fruits and legumes in moderation is advantageous,and low-fructose of fruits and low-purine of non-soy beans are recommended.Moreover,personalized diet needs to be emphasized for hyperuricemic patients accompanied with diverse metabolic diseases.
基金supported by the National Natural Science Foundation of China(32071673 and 32202573)the Program of Hunan Science and Technology Innovation Team(2021RC4063)+1 种基金the Natural Science Foundation of Hunan Province(2021JJ31151 and 2022JJ50028)the Key Scientific Research Project of Hunan Education Department(22A0538)。
文摘Ganoderma lingzhi is a new species of the prize medicinal mushroom Ganoderma(Agaricomycetes).Using angiotensin I-converting enzyme(ACE)as a target,a tripeptide Ser-Tyr-Pro(SYP)was discovered with preponderant ACE inhibitory activity with an 50%inhibiting concentration(IC_(50))value of 62.50μg/mL attribute to the formed salt bridge and hydrogen bonds between SYP and ACE.SYP even maintained superior bioactivity after intestinal digestion,and exerted no cytotoxicity,but presented incomplete bioavailability in blood of spontaneous hypertensive rats(SHRs).Furthermore,it performed antihypertensive effect in vivo by inhibiting the influx of Ca^(2+)through activating endothelial NO synthase(e NOS)/NO/guanosine 3',5'-cyclic monophosphate(c GMP)pathway,accompanied by attenuating angiotensin II(Ang II)/NADPH oxidase(NOX)/reactive oxygen species(ROS)pathway.This work not only discoverers a novel pharmacological ingredient from medicinal mushroom G.lingzhi for hypertension therapy,but also provides an insight into molecular mechanism of the ACE inhibitory peptide(ACEIP)on lowering blood pressure.
基金supported by grants from the National Natural Science Foundation of China(31560459)Jiangxi Provincial Natural Science Foundation(20224ACB205014)The Double Thousands Talents Plan of Jiangxi(jxsq2018102075,jxsq2018102076)。
文摘Inflammatory bowel disease(IBD)is a chronic gastrointestinal disease with a high incidence.Treatment for IBD includes medications and diet,and common anti-inflammatory medications have limitations like drug resistance and serious adverse effects.Accumulating evidence has demonstrated that dietary flavonoids exhibit an alleviative effect on IBD by influencing gut microbiota.The microbiota-derived metabolites also regulate IBD and maintain intestinal homeostasis.In this review,we investigate the therapeutic effect of gut microbiota and metabolites on IBD by intestinal immune and intestinal barrier function.We demonstrate the underlying mechanism of dietary flavonoids as an anti-inflammatory molecule alleviating IBD by regulating gut microbiota,short chain fatty acid(SCFA),bile acid(BA),tryptophan(Trp)metabolism and lipopolysaccharides(LPS)-toll-like receptor 4(TLR4)signaling pathway.Based on structural differences of flavonoids,we summarize the recent research progress on the role of different dietary flavonoids in alleviating IBD by gut microbiota and metabolites in animal and clinical trials.This review indicates that dietary flavonoids targeting gut microbiota and metabolites provide a promising strategy for the treatment of inflammation and novel insights into the management of IBD.
基金Project supported by the Scientific and Technological Research Program of Chongqing Municipal Education Commission(Grant No.KJQN202400624)the Natural Science Foundation of Chongqing CSTC(Grant No.CSTB2022NSCQBHX0020)+3 种基金the China Electronics Technology Group Corporation 44th Research Institute(Grant No.6310001-2)the Project Grant“Noninvasive Sensing Measurement based on Terahertz Technology”from Province and MOE Collaborative Innovation Centre for New Generation Information Networking and Terminalsthe Key Research Program of CQUPT on Interdisciplinary and Emerging Field(A2018-01)the Venture&Innovation Support program for Chongqing Overseas Returnees Year 2022。
文摘We investigate theoretically the enhancement of mechanical squeezing in a multimode optomechanical system by introducing a coherent phonon–photon interaction via the backward stimulated Brillouin scattering(BSBS)process.The coherent photon–phonon interaction where two optical modes couple to a Brillouin acoustic mode with a large decay rate provides an extra channel for the cooling of a Duffing mechanical oscillator.The squeezing degree and the robustness to the thermal noises of the Duffing mechanical mode can be enhanced greatly.When the Duffing nonlinearity is weak,the squeezing degree of the mechanical mode in the presence of BSBS can be improved by more than one order of magnitude compared with that in the absence of BSBS.Our scheme may be extended to other quantum systems to study novel quantum effects.
基金supported by the National Key Research and Development of China(Grant No.2022YFB4601901)the National Natural Science Foundation of China(Grant No.12122202)。
文摘The use of ultra-high molecular weight polyethylene(UHMWPE)composite in the design of lightweight protective equipment,has gained a lot of interest.However,there is an urgent need to understand the ballistic response mechanism and theoretical prediction model of performance.This paper explores the ballistic response mechanism of UHMWPE composite through experimental and simulation analyses.Then,a resistance-driven modeling method was proposed to establish a theoretical model for predicting the bulletproof performance.The ballistic response mechanism of UHMWPE composite encompassed three fundamental modes:local response,structural response,and coupled response.The occurrence ratio of these fundamental response modes during impact was dependent on the projectile velocity and laminate thickness.The bulletproof performance of laminate under different response modes was assessed based on the penetration depth of the projectile,the bulging height on the rear face of the laminate,the thickness of remaining sub-laminate,and residual velocity of the projectile.The absolute deviations of bulletproof performance indicator between theoretical value and experimental value were well within 11.13%,demonstrating that the established evaluation model possessed high degree of prediction accuracy.
基金supported by the National Key Research and Development Program of China (No.2021YFC2902102)the National Natural Science Foundation of China (Nos.52374103 and 52274013)。
文摘Hydraulic fracture(HF)formed in rock significantly helps with the development of geo-energy and georesources.The HF formation condition was challenging to understand,with obscure rock micro-cracking mechanisms being a key factor.The rock micro-cracking mechanism under gradient pore water pressure was analyzed on the scale of mineral particles and it was combined with macroscopic boundary conditions of rock hydraulic fracturing,obtaining the propagation criterion of HF in rock based on the rock micro-cracking mechanism which was verified by experiment.The results show that the disturbed skeleton stress induced by the disturbance of gradient pore water pressure in rock equals the pore water pressure difference.The overall range of the defined mechanical shape factor a/b is around 1,but greater than0.5.Under the combined influence of pore water pressure differences and macroscopic boundary stresses on the rock micro-cracking,micro-cracks form among rock mineral particles,micro-cracks connect to form micro-hydraulic fracture surfaces,and micro-hydraulic fracture surfaces open to form macrohydraulic fractures.HF begins to form at the micro-cracking initiation pressure(MCIP),which was tested by keeping the HF tip near the initiation point.The theoretical value of MCIP calculated by the proposed propagation criterion is close to MCIP tested.
基金supported by the National Natural Science Foundation of China(22209057)the Guangzhou Basic and Applied Basic Research Foundation(2024A04J0839).
文摘Potassium-ion batteries(PIBs)are considered as a promising energy storage system owing to its abundant potassium resources.As an important part of the battery composition,anode materials play a vital role in the future development of PIBs.Bismuth-based anode materials demonstrate great potential for storing potassium ions(K^(+))due to their layered structure,high theoretical capacity based on the alloying reaction mechanism,and safe operating voltage.However,the large radius of K^(+)inevitably induces severe volume expansion in depotassiation/potassiation,and the sluggish kinetics of K^(+)insertion/extraction limits its further development.Herein,we summarize the strategies used to improve the potassium storage properties of various types of materials and introduce recent advances in the design and fabrication of favorable structural features of bismuth-based materials.Firstly,this review analyzes the structure,working mechanism and advantages and disadvantages of various types of materials for potassium storage.Then,based on this,the manuscript focuses on summarizing modification strategies including structural and morphological design,compositing with other materials,and electrolyte optimization,and elucidating the advantages of various modifications in enhancing the potassium storage performance.Finally,we outline the current challenges of bismuth-based materials in PIBs and put forward some prospects to be verified.
基金partially supported by Natural Science Research Project of Anhui Educational Committee (Nos.KJ2021A1168,KJ2021A1169 and 2024AH050620)University Synergy Innovation Program of Anhui Province (No.GXXT-2022-026)University-Industry Cooperation Practical Education Base Project (No.2022xqjdx04)。
文摘An atmospheric pressure plasma jet(APPJ)approach is developed to prepare platinum nanoparticles(PtNPs)under mild reaction conditions of lower temperatures and without adding chemical reagents.Optical Emission Spectroscopy(OES)and X-ray Photoelectron Spectroscopy(XPS)tests revealed that the APPJ contains a large number of high-energy active particles,which can generate solvated electrons in liquid thereby promoting the rapid reduction of Pt(Ⅳ)ions into Pt(0)atoms,and these atoms gradually grow into nanoparticles.After 3 min of treatment,PtNPs exhibit excellent dispersibility with a particle size distribution ranging from 1.8 to 2.8 nm.After 5 min,the particle size increases,and aggregation occurs.The zeta potentials for the two situations were-56.0 mV and-12.5 mV respectively.The results indicate that the treatment time has a significant impact on the dispersion,particle size distribution,and sol stability of the nanoparticles.Furthermore,it reveals the formation mechanism of PtNPs prepared by APPJ,which involves the generation and expansion of nanocrystalline nuclei,and the construction of negatively charged colloidal particles.The overall mechanism highlights the importance of the plasma-liquid interaction in the synthesis of PtNPs,offering a new perspective on the controllable production of nanomaterials using plasma technology.
基金National Key Research and Development Program of China(2023YFA1507602)National Natural Science Foundation of China (22171010, 62174011)。
文摘Lead-halide perovskite nanoparticles(LHP NPs) are highly promising materials for next-generation displays and solid-state lighting due to their exceptional optical properties. However, their inherent instability presents a significant challenge. Recent advances have demonstrated that optoelectronic devices based on monolayer nanoparticle films exhibit both high luminescence efficiency and long-term stability.Our research demonstrates that mobility limitations and anisotropic alignments in CsPbBr3nanocube monolayer films are key to their stabilization, hindering spontaneous growth through face-to-face fusion and resulting in the formation of connecting necks in a diagonal direction. Introducing laser irradiation confirmed this by significantly accelerating nanocubes growth, increasing mobility, and enhancing local structural ordering, leading to larger and more regularly shaped nanosheets. Fourier transform infrared spectroscopy and energy dispersive spectroscopy line-scan analyses indicated that laser irradiation did not disrupt the ligand structure. Transmission electron microscopy and correlative cathodoluminescence electron microscopy revealed the effects of post-growth and heterogeneous structures, including enhanced luminescence and inhomogeneous intensity in the nanosheets. These findings deepen the understanding of the post-growth mechanism of monolayer nanoparticles and the structure-emission correlation and highlight the unique role of laser irradiation in directing the formation of well-defined and regular nanostructures.
文摘This work aimed to(i)understand conventional and pulse gas tungsten arc welding(GTAW)of AZ31B,and(ii)explore high frequency welding(100 Hz-1500 Hz).GTA welding with alternating current(AC)and direct current electrode positive(DCEP)polarities yielded crack-free partial penetration welds for6 mm thick AZ31B alloy sheet.Welding under direct current electrode negative(DCEN)polarity with identical parameters as that for AC and DCEP resulted in full penetration welds that had microcracks.Defect-free full-penetration welds could be accomplished with pulse GTA welding using DCEN polarity at a pulse frequency of 1 Hz with a pulse duration ratio of 1:1.The resultant DCEN P 1:1 weld metal had a microstructure finer than the conventional DCEN weld.Welds produced with pulse duration ratios of 1:2and 1:4 lacked penetration but had a much finer microstructures because of the lower heat input.The arc constriction by the high frequency pulsing in the Activ Arc■-High frequency(AA-HF)mode welding was responsible for deeper penetration.Welds produced under DCEN pulsing and AA-HF conditions had hardness higher than conventional DCEN,DCEP and AC GTA welds,attributed to the finer microstructure.AA-HF GTA welding produced defect free deeper penetration welds with good microstructural features/mechanical properties and also gave an advantage of 50%enhanced productivity when welded at1500 Hz.
基金supports from the National Natural Science Foundation of China(82130112,U24A20789)Beijing Hospitals Authority Ascent Plan(DFL20190702)Youth Beijing Scholar(2022-051)。
文摘Lonicera japonica(honeysuckle)is a traditional Chinese medicinal food,in which the main active ingredients are phenolic acids,polysaccharides,flavonoids,and volatile oils.They have various biological activities,including antiviral,antibacterial,antioxidant,hypoglycemic and lipid-lowering,and anti-inflammatory effects.This review summarizes the health effects and pharmacodynamic mechanisms of L.japonica extracts and the major active ingredients in these extracts,and the structures,metabolic process in vivo,and biotransformation processes of these compounds.In addition,the current status of the development of L.japonica-related functional foods is summarized.The aim is to provide a theoretical basis and reference for the further development and use of the active ingredients in L.japonica as functional foods for disease prevention and treatment.
基金supported by the National Key Research and Development Program of China(No.2023YFC2907600)the National Natural Science Foundation of China(Nos.42477166 and 42277174)+2 种基金the Fundamental Research Funds for the Central Universities,China(No.2024JCCXSB01)the Opening Project of State Key Laboratory of Explosion Science and Safety Protection,Beijing Institute of Technology(No.KFJJ24-01M)the Open Foundation of Collaborative Innovation Center of Green Development and Ecological Restoration of Mineral Resources(No.HLCX2024-04)。
文摘With resource exploitation and engineering construction gradually going deeper,the surrounding rock dynamic disaster becomes frequent and violent.The anchorage support is a common control method of surrounding rock in underground engineering.To study the dynamic damage characteristics of anchored rock and the energy absorption control mechanism of dynamic disasters,a new type of constant resistance and energy absorption(CREA)material with high strength,high elongation and high energy absorption characteristics is developed.A contrast test of rockbursts in anchored rock with different support materials is conducted.The test results show that the surface damage rates and energy release degree of anchored rock with common bolt(CB)and CREA are lower than those of unanchored rock,respectively.The total energy,average energy and maximum energy released by CREA anchored rock are 30.9%,94.3%and 84.4%lower than those of CB anchored rock.Compared with unanchored rock,the rockburst peak stress in the CREA anchored rock is increased by 39.9%,and the rockburst time is delayed by 53.2%.Based on the rockburst energy calculation model,the evolution law of rockburst peak stress and energy release is investigated.The control mechanism of CREA support units on rock dynamic failure is clarified.
基金financially supported by the National Natural Science Foundation of China(No.51902025).
文摘Rapid advances in thermal management technology and the increasing need for multi-energy conversion have placed stringent energy efficiency requirements on next-generation shape-stable composite phase change materials(PCMs).Magnetically-responsive phase change thermal storage materials are considered an emerging concept for energy storage systems,enabling PCMs to perform unprecedented functions(such as green energy utilization,magnetic thermotherapy,drug release,etc.).The combination of multifunctional magnetic nanomaterials and PCMs is a milestone in the creation of advanced multifunctional composite PCMs.However,a timely and comprehensive review of composite PCMs based on magnetic nanoparticle modification is still missing.Herein,we furnish an exhaustive exposition elucidating the cutting-edge advancements in magnetically responsive composite PCMs.We delve deeply into the multifarious roles assumed by distinct nanoparticles within composite PCMs of varying dimensions,meticulously scrutinizing the intricate interplay between their architectures and thermophysical attributes.Moreover,we prognosticate future research trajectories,delineate alternative stratagems,and illuminate prospective avenues.This review is intended to stimulate broader academic interest in interdisciplinary fields and provide valuable insights into the development of next-generation magnetically-responsive composite PCMs.
基金Project supported by the National Natural Science Foundation of China (Grant No. 52271105)。
文摘Uranium–molybdenum(U–Mo) alloys are critical for nuclear power generation and propulsion because of their superior thermal conductivity, irradiation stability, and anti-swelling properties. This study explores the plastic deformation mechanisms of γ-phase U–Mo alloys using molecular dynamics(MD) simulations. In the slip model, the generalized stacking fault energy(GSFE) and the modified Peierls–Nabarro(P–N) model are used to determine the competitive relationships among different slip systems. In the twinning model, the generalized plane fault energy(GPFE) is assessed to evaluate the competition between slip and twinning. The findings reveal that among the three slip systems, the {110}<111>slip system is preferentially activated, while in the {112}<111> system, twinning is favored over slip, as confirmed by MD tensile simulations conducted in various directions. Additionally, the impact of Mo content on deformation behavior is emphasized. Insights are provided for optimizing process conditions to avoid γ → α′′ transitions, thereby maintaining a higher proportion of γ-phase U–Mo alloys for practical applications.
基金greatly supported by the National Key Laboratory of Energetic Materials,China(Grant No.2023-LB-036-09).
文摘In order to analyze the influences of storage aging on the safety of typical elemental explosives,the aged cyclotrimethylene trinitramine(RDX)and cyclotetramethylene tetranitramine(HMX)were prepared by isothermal aging tests.The reaction thresholds of aged RDX and HMX under any ignition probability were studied by Langlie-Optimal D method.The thermal decomposition characteristics of RDX and HMX after aging were analyzed by DSC and ARC.Experimental results showed that compared with unaged RDX and HMX,on the one hand,the critical impact energy and critical friction of RDX and HMX aged for 14,28,and 56 days are significantly reduced at an explosion probability of 50%,0.01%,and 0.0001%,respectively.With the increase of aging time,the mechanical sensitivity of RDX and HMX increases obviously.On the other hand,the initial decomposition temperature of RDX and HMX after 56 days of aging decreases,the decomposition heat decreases,the activation energy increases,and the reaction difficulty increases.
基金National Natural Science Foundation of China(22272150,22302177)Major Program of Zhejiang Provincial Natural Science Foundation of China(LD22B030002)+2 种基金Zhejiang Provincial Ten Thousand Talent Program(2021R51009)Public Technology Application Project of Jinhua City(2022-4-067)Self Designed Scientific Research of Zhejiang Normal University(2021ZS0604)。
文摘Biomass conversion offers an efficient approach to alleviate the energy and environmental issues.Electrochemical oxidation of 5-hydroxymethylfurfural(HMF)has attracted tremendous attention in the latest few years for the mild synthesis conditions and high conversion efficiency to obtain 2,5-furan dicarboxylic acid(FDCA),but there still remain problems such as limited yield,short cycle life,and ambiguous reaction mechanism.Despite many reviews highlighting a variety of electrocatalysts for electrochemical oxidation of HMF,a detailed discussion of the structural modulation of catalyst and the underlying catalytic mechanism is still lacking.We herein provide a comprehensive summary of the recent development of electrochemical oxidation of HMF to FDCA,particularly focusing on the mechanism studies as well as the advanced strategies developed to regulate the structure and optimize the performance of the electrocatalysts,including heterointerface construction,defect engineering,single-atom engineering,and in situ reconstruction.Experimental characterization techniques and theoretical calculation methods for mechanism and active site studies are elaborated,and challenges and future directions of electrochemical oxidation of HMF are also prospected.This review will provide guidance for designing advanced catalysts and deepening the understanding of the reaction mechanism beneath electrochemical oxidation of HMF to FDCA.
基金the financial support from the Ministry of Higher Education,Science,and Innovations of the Republic of Uzbekistan (Nos.AL-4821012320 and AL-5921122141)。
文摘Cold atmospheric plasma(CAP)has emerged as a promising technology for the degradation of organic dyes,but the underlying mechanisms at the molecular level remain poorly understood.Using density-functional tight-binding(DFTB)-based quantum chemical molecular dynamics at 300 K,we have performed numerical simulations to investigate the degradation mechanism of Disperse Red 1(DR)interacting with CAP-generated oxygen radicals.One hundred directdynamics trajectories were calculated for up to 100 ps simulation time,after which hydrogenabstraction,benzene ring-opening/expanding,formaldehyde formation and modification in the chromophoric azo group which can lead to color-losing were observed.The latter was obtained with yields of around 6%at the given temperature.These findings not only enhance our understanding of CAP treatment processes but also have implications for the development of optimized purification systems for sustainable wastewater treatment.This study underscores the utility of DFTB simulations in unraveling complex chemical processes and guiding the design of advanced treatment strategies in the context of CAP technology.