This study investigates four Late Permian Gondwana coals from the Raniganj sub-basin,Damodar Valley and three Early Permian Gondwana coals from the Talcher sub-basin,Mahanadi Valley.The study aims to characterize the ...This study investigates four Late Permian Gondwana coals from the Raniganj sub-basin,Damodar Valley and three Early Permian Gondwana coals from the Talcher sub-basin,Mahanadi Valley.The study aims to characterize the kerogen type,hydrocarbon generation potential,thermal maturity,and organic matter composition,as well as to explore the impact of organic matter characteristics on kerogen kinetic parameters,utilizing multi proxy approach.The study further investigates the influence of the mineral matrix on kerogen decomposition kinetics.Based on the Rock-Eval parameters,Fourier transform infrared spectroscopy(FTIR)parameters,and vitrinite reflectance(R_(o)),the kerogen is primarily classified as immature/early mature TypeⅢkerogen derived from terrestrial land plants,with minor contribution from TypeⅡkerogen having mainly gas generating potential.The source of the organic matter,as determined by stable carbon isotopic composition(δ^(13)C_(org))values and C/N ratios indicates a primary input from C_(3) terrestrial plants.The presence of enriched collotelinites and liptinites,such as sporinite and resinite,provides evidence for the input of terrestrial higher plants,including both herbaceous and arborescent species.Various indices derived from maceral abundances,including the gelification index(GI),tissue preservation index(TPI),and vegetation index(VI),collectively indicate diverse depositional conditions which range from wet forest swamps to shallow water-covered wet forest swamps and even dry forest swamps.The variation in vitrinite macerals influenced the kerogen type and consequently impacted the kinetic parameters,viz.the distribution of activation energies(E_(a)),kerogen transformation ratio(KTR),and hydrocarbon generation rate(HGR).Among the Talcher coals,shaly coals exhibit different kerogen type and kerogen transformation.This dissimilarity can be attributed to variable maceral compositions.Unlike the Talcher samples,all Raniganj samples show consistent kinetic behaviour despite their sample type(coal/shaly coal)or kerogen type(TypeⅢ/mixed TypeⅡ/Ⅲ)owing to comparable liptinite/vitrinite maceral composition.This study reveals that whilst the presence of mineral matrix shifts the apparent E_(a) of kerogen through interactions like adsorption and catalysis,it does not significantly affect the kerogen type,HGR,or KTR of the studied coals.展开更多
Natural gas hydrates widely accumulate in submarine sediments composed of clay minerals.However,due to the complex physiochemistry and micron-sized particles of clay minerals,their effects on methane hydrate(MH)format...Natural gas hydrates widely accumulate in submarine sediments composed of clay minerals.However,due to the complex physiochemistry and micron-sized particles of clay minerals,their effects on methane hydrate(MH)formation and dissociation are still in controversy.In this study,montmorillonite and illite were separately mixed with quartz sand to investigate their effects on MH formation and dissociation.The microstructure of synthesized samples was observed by cryo-SEM innovatively to understand the effects of montmorillonite and illite on MH phase transition in micron scale.Results show that montmorillonite and illite both show the inhibition on MH formation kinetics and water-to-hydrate conversion,and illite shows a stronger inhibition.The 10 wt%montmorillonite addition significantly retards MH formation rate,and the 20 wt%montmorillonite has a less inhibition on the rate.The increase of illite mass ratio(0-20 wt%)retards the rate of MH formation.As the content of clay minerals increase,the water-to-hydrate conversion decreases.Cryo-SEM images presented that montmorillonite aggregates separate as individual clusters while illite particles pack as face-to-face configuration under the interaction with water.The surface-overlapped illite aggregates would make sediments pack tightly,hinder the contact between gas and water,and result in the more significant inhibition on MH formation kinetics.Under the depressurization method,the addition of clay minerals facilitates MH dissociation rate.Physicochemical properties of clay minerals and MH distribution in the pore space lead to the faster dissociation rate in clay-containing sediments.The results of this study would provide beneficial guides on geological investigations and optimizing strategies of natural gas production in marine hydrate-bearing sediments.展开更多
The adsorption kinetics of polystyrene[1-butyl-3-methylimidazolium][bis(2,4,4-trimethylpentyl)phosphinate](PS[C_(4)mim][C272])towards V(V)in acidic leachate was explored under ultrasound.The effects of ultrasonic powe...The adsorption kinetics of polystyrene[1-butyl-3-methylimidazolium][bis(2,4,4-trimethylpentyl)phosphinate](PS[C_(4)mim][C272])towards V(V)in acidic leachate was explored under ultrasound.The effects of ultrasonic power and V(V)concentration on the adsorption performance of PS[C_(4)mim][C272]were investigated.The results showed that ultrasonic radiation significantly shortened the adsorption equilibrium time and improved the adsorption performance of PS[C_(4)mim][C272]compared with the conventional oscillation.At an ultrasonic power of 200 W,the equilibrium adsorption capacity of PS[C_(4)mim][C272]reached its maximum of 311.58 mg/g.The kinetic model fitting results showed that the adsorption process of PS[C_(4)mim][C272]strictly followed the pseudo-second-order kinetic model under ultrasound.Analysis using the shrinking core model and the Weber−Morris model showed that the adsorption process of PS[C_(4)mim][C272]was primarily controlled by intra-particle diffusion mechanism.The adsorption isotherm model study showed that the Langmuir isotherm model could effectively fit the adsorption process of PS[C_(4)mim][C272]under ultrasound.展开更多
Eggshells,a by-product of the food industry,represent a significant yet often overlooked waste stream.Given their vast production volume and inherent properties,eggshells have the potential to serve as a sustainable a...Eggshells,a by-product of the food industry,represent a significant yet often overlooked waste stream.Given their vast production volume and inherent properties,eggshells have the potential to serve as a sustainable and environmentally friendly co-fuel.Aiming to explore the co-combustion characteristics and kinetics of pulverized coal blended with eggshells and offer insights into their combined use as a renewable energy source,a systematic investigation was conducted to evaluate the physical and chemical properties of Shangwan bituminous coal,Shouyang anthracite coal,eggshell(ES)and their blends.Additionally,comprehensive experimental analyses were performed at different heating rates applying a non-isothermal thermogravimetric method.The findings revealed that the addition of ES enhanced the combustion efficiency.The combustion characteristics were significantly influenced by the ES content,with an optimal blend ratio identified for maximum combustion efficiency.To represent the thermal degradation experiments,random pore model and volume model were employed.Furthermore,activation energies and pre-exponential factors were determined.The random pore model demonstrated more superior performance compared to the volume model.The activation energies of all the samples ranged between 18.29 and 42.48 kJ/mol,with the lowest value observed for the sample containing 20 mass%ES.展开更多
Accurate prediction of the composition of pyrolysis products is the prerequisite for achieving directional regulation of organic-rich shale pyrolysis and conversion products.In this paper,the classical segmented pyrol...Accurate prediction of the composition of pyrolysis products is the prerequisite for achieving directional regulation of organic-rich shale pyrolysis and conversion products.In this paper,the classical segmented pyrolysis kinetics model and a new refined pyrolysis kinetics model were used to forecast the composition distribution of hydrocarbon generation products co-heated by supercritical water and medium and low maturity organic-rich shale.The prediction accuracy of the two reaction kinetics models for the composition of pyrolysis products of organic-rich shale was compared.The reaction path of hydrocarbon generation in centimeter sized organic-rich shale under the action of supercritical water was identified.The results show that the prediction accuracy of the classical segmented pyrolysis kinetics model was poor at the initial stage of the reaction,and gradually increased with increasing time.The prediction error can reach less than 25%when the reaction time was 12 h.The new refined model of reaction kinetics established is better than the classical reaction kinetics model in predicting the product distribution of pyrolysis oil and gas,and its prediction error is less than 14%in this paper.The reaction paths of hydrocarbon generation in centimeter sized organic-rich shale under supercritical water conversion mainly include organic-rich shale directly generates asphaltene and saturated hydrocarbon,asphaltene pyrolysis generates saturated hydrocarbon,aromatic hydrocarbon and resin,saturated hydrocarbon,aromatic hydrocarbon and resin polymerization generates asphaltene,and saturated hydrocarbon,resin and asphaltene generates gas.The reason for the difference of centimeter sized and millimeter sized medium and low maturity organic-rich shales hydrocarbon generation in supercritical water is that the increase of shale size promotes the reaction path of polymerization of saturated hydrocarbon and aromatic hydrocarbon to asphaltene.展开更多
This study prepared a class of RDX-based composite microspheres(RAF)containing ADN and FKM2602.The reaction kinetics of RAF composite microspheres were effectively improved by maintaining the system's high energy ...This study prepared a class of RDX-based composite microspheres(RAF)containing ADN and FKM2602.The reaction kinetics of RAF composite microspheres were effectively improved by maintaining the system's high energy and safety performance.In the close packing state,when the heating rate is rapid,the thermal stability of RAF composite microspheres is better than that of RDX;the close packing state will reduce the degree of freedom of RDX and ADN reaction but will increase the degree of freedom of RAF composite microsphere reaction.The thermal conductivity of RAF composite microspheres is close to that of RDX.In the ignition experiment,the flame of RAF composite microspheres can be maintained without the external heat source.Regarding safety,the H50of RAF composite microspheres was 274.04%higher than that of RDX.The detonation velocity of RAF composite microspheres is slightly higher than that of raw material RDX.Overall,these findings highlight the effectiveness of ADN in enhancing the reaction kinetics of RDX-based composites.展开更多
The vacuum volatilization kinetics of Pb in In-Pb solder was investigated.The results indicate a significant increase in the vacuum volatilization rates of Pb,25In-75Pb,40In-60Pb,and In with increasing temperatures fr...The vacuum volatilization kinetics of Pb in In-Pb solder was investigated.The results indicate a significant increase in the vacuum volatilization rates of Pb,25In-75Pb,40In-60Pb,and In with increasing temperatures from 923 to 1123 K,system pressure of 3 Pa and holding time of 30 min.The mass transfer coefficients and apparent activation energies of Pb and its alloys were determined at various temperatures.Additionally,a kinetics model was developed to describe Pb vacuum volatilization in high-temperature melts.It is obtained that the vapor mass transfer is the factor limiting the vacuum volatilization rates of Pb and In-Pb alloys under the above specified conditions.展开更多
Dear Editor,Psoriasis,a chronic inflammatory cutaneous condition,is characterized by the development of red plaques with silvery scales,significantly affecting patients'quality of life and mental health[1].This co...Dear Editor,Psoriasis,a chronic inflammatory cutaneous condition,is characterized by the development of red plaques with silvery scales,significantly affecting patients'quality of life and mental health[1].This condition is thought to affect approximately 2%of the Western population,with diagnosis peaking in early adulthood[2].Vitamin D,a fat-soluble vitamin,is essential for phospho-calcium metabolism,calcium homeostasis,and bone health.展开更多
Solid-state precipitation is an effective strategy for tuning the mechanical and functional properties of ad-vanced alloys.Structure design and modification necessitate good knowledge of the kinetic evolution of preci...Solid-state precipitation is an effective strategy for tuning the mechanical and functional properties of ad-vanced alloys.Structure design and modification necessitate good knowledge of the kinetic evolution of precipitates during fabrication,which is strongly correlated with defect concentration.For Fe-Ga alloys,giant magnetostriction can be induced by the precipitation of the nanoscale tetragonal L60 phase.By introducing quenched-in vacancies,we significantly enhance the magnetostriction of the aged Fe81Ga19 polycrystalline alloys to~305 ppm,which is close to the level of single crystals.Although vacancies were found to facilitate the generation of the L60 phase,their impact on the precipitation mechanism and kinetics has yet to be revealed.This study combined transmission electron microscopy(TEM)and time-resolved small-angle neutron scattering(SANS)to investigate the precipitation of the L60 phase during the isothermal aging at 350 and 400℃,respectively.The evolution of L60 nanophase in morphology and number density in as-cast(AC)and liquid nitrogen quenched(LN)Fe81Ga19 alloys with aging time were quantitatively compared.Interestingly,the nucleation of the L60 phase proceeds progressively in AC while suddenly in LN specimens,indicating the homogenous to heterogeneous mechanism switching in-duced by concentrated vacancies.Moreover,excess vacancies can change the shape of nanoprecipitates and significantly accelerate the growth and coarsening kinetics.The magnetostrictive coefficient is opti-mized when the size(long-axis)of L60 precipitates lies between 100 and 110Åwith a number density between 3.2-4.3×10-7Å-3.Insight from this study validates the feasibility of achieving high magnetoe-lastic properties through precise manipulation of the nanostructure.展开更多
This study investigates the combustion characteristics of reactive aluminium alloys in combination with fluoropolymer oxidizers. Aluminium-magnesium(Al-Mg) and aluminium-titanium(Al-Ti) alloys were selected as metalli...This study investigates the combustion characteristics of reactive aluminium alloys in combination with fluoropolymer oxidizers. Aluminium-magnesium(Al-Mg) and aluminium-titanium(Al-Ti) alloys were selected as metallic fuels, while polyvinylidene fluoride(PVDF) was employed as the oxidizer. Composite samples were prepared using two methods: electrostatic spraying(ES) and physical mixing(PM). The ES method yielded samples with a PVDF-coated structure, whereas the PM method produced simple mixtures. The samples and their combustion products were characterized using scanning electron microscopy(SEM), X-ray diffraction(XRD), combustion experiments, and thermal analysis. The results indicate that compared to the PM samples, the ES-coated samples exhibited more effective dispersion of metallic particles, reduced particle agglomeration, increased combustion heat release temperature, decreased maximum flame area and height, and mitigated or eliminated explosive or micro-explosive phenomena during combustion, thereby achieving stable combustion. Additionally, the ES samples demonstrated a significant reduction in the particle size of condensed-phase products after combustion, alleviated sintering and agglomeration, decreased the formation of metal oxides, and minimized residual metallic fuel, allowing for the full release of combustion heat. Thermal analysis revealed that the coating structure of the ES samples lowered the activation energy for the reaction between the metallic fuel and PVDF, thereby enhancing the chemical reactivity.展开更多
Dissolution kinetics of CaO·2Al_(2)O_(3)(CA_(2))particles in a synthetic CaO-Al_(2)O_(3)-SiO_(2)steelmaking slag system have been investigated using the high-temperature confocal laser scanning microscope.Effects...Dissolution kinetics of CaO·2Al_(2)O_(3)(CA_(2))particles in a synthetic CaO-Al_(2)O_(3)-SiO_(2)steelmaking slag system have been investigated using the high-temperature confocal laser scanning microscope.Effects of temperature(i.e.,1500,1550,and 1600℃)and slag composition on the dissolution time of CA_(2)particles are investigated,along with the time dependency of the projection area of the particle during the dissolution process.It is found that the dissolution rate was enhanced by either an increase in temperature or a decrease in slag viscosity.Moreover,a higher ratio of CaO/Al_(2)O_(3)(C/A)leads to an increased dissolution rate of CA_(2)particle at 1600℃.Thermodynamic calculations suggested the dissolution product,i.e.,melilite,formed on the surface of the CA_(2)particle during dissolution in slag with a C/A ratio of 3.8 at 1550℃.Scanning electron microscopy equipped with energy dispersive X-ray spectrometry analysis of as-quenched samples confirmed the dissolution path of CA_(2)particles in slags with C/A ratios of 1.8 and 3.8 as well as the melilite formed on the surface of CA_(2)particle.The formation of this layer during the dissolution process was identified as a hindrance,impeding the dissolution of CA_(2)particle.A valuable reference for designing or/and choosing the composition of top slag for clean steel production is provided,especially using calcium treatment during the secondary refining process.展开更多
Under the backdrop of“Carbon Peak and Carbon Neutrality”(dual carbon)goal in China,the methane-carbon dioxide reforming reaction has attracted considerable attention due to its environmental benefits of converting t...Under the backdrop of“Carbon Peak and Carbon Neutrality”(dual carbon)goal in China,the methane-carbon dioxide reforming reaction has attracted considerable attention due to its environmental benefits of converting two greenhouse gases(methane and carbon dioxide)into syngas and its promising industrial applications.Nickel(Ni)-based catalysts,with high catalytic activity,low cost,and abundant resources,are considered ideal candidates for industrial applications.In this article,three reaction kinetic models were briefly introduced,namely the Power-Law(PL)model,the Eley-Rideal(ER)model,and the Langmuir-Hinshelwood-Hougen-Watson(LHHW)model.Based on the LHHW model,the reaction kinetics and mechanisms of different catalytic systems were systematically discussed,including the properties of supports,the doping of noble metals and transition metals,the role of promoters,and the influence of the geometric and electronic structures of Ni on the reaction mechanism.Furthermore,the kinetics of carbon deposition and elimination on various catalysts were analyzed.Based on the reaction rate expressions for carbon elimination,the reasons for the high activity of transition metal iron(Fe)-doped catalysts and core-shell structured catalysts in carbon elimination were explained.Based on the detailed collation and comparative analysis of the reaction mechanisms and kinetic characteristics across diverse Ni-based catalytic systems,a theoretical guidance for the designing of high-performance catalysts was provided in this work.展开更多
Replacing solid carbon with hydrogen gas in ferromanganese production presents a forward-thinking,sustainable solution to re-ducing the ferro-alloy industry’s carbon emissions.The HAlMan process,a groundbreaking and ...Replacing solid carbon with hydrogen gas in ferromanganese production presents a forward-thinking,sustainable solution to re-ducing the ferro-alloy industry’s carbon emissions.The HAlMan process,a groundbreaking and eco-friendly method,has been meticu-lously researched and scaled up from laboratory experiments to pilot tests,aiming to drastically cut CO_(2) emissions associated with ferro-manganese production.This innovative process could potentially reduce CO_(2) emissions by about 1.5 tonnes for every tonne of ferroman-ganese produced.In this study,a lab-scale vertical thermogravimetric furnace was used to carry out the pre-reduction of Nchwaning man-ganese ore,where direct reduction occurred with H_(2) gas under controlled isothermal conditions at 700,800,and 900℃.The results indic-ated that higher pre-reduction temperatures(800 and 900℃)effectively converted Fe_(2)O_(3) to metallic iron and Mn_(2)O_(3) to MnO.By continu-ously monitoring the mass changes during the reduction,both the rate and extent of reduction were assessed.A second-order reaction model was applied to validate the experimental outcomes of H_(2) reduction at various temperatures,showing apparent activation energies of 29.79 kJ/mol for dried ore and 61.71 kJ/mol for pre-calcined ore.The reduction kinetics displayed a strong dependence on temperature,with higher temperatures leading to quicker and more complete reductions.The kinetics analysis suggested that the chemical reaction at the gas-solid interface between hydrogen and the manganese ore is likely the rate-limiting step in this process.展开更多
Objective:The incidence and mortality of colorectal carcinoma(CRC)continue to rise globally,highlighting the need to identify modifiable risk factors for early detection and prevention.Previous studies have demonstrat...Objective:The incidence and mortality of colorectal carcinoma(CRC)continue to rise globally,highlighting the need to identify modifiable risk factors for early detection and prevention.Previous studies have demonstrated significant associations between CRC risk and various serum metabolites as well as inflammatory cytokines;however,due to limitations in study design and potential confounding factors,the causal relationships remain unclear.This study aims to investigate the causal relationships between inflammatory cytokines,serum metabolites,and CRC risk,providing a theoretical basis for the development of novel early diagnostic biomarkers and therapeutic targets.Methods:A two-sample Mendelian randomization(MR)design was applied using summary statistics from genome-wide association studies(GWAS).Instrumental variables(IVs)were derived from:1)metabolomics GWAS data of 1400 serum metabolites(n=8299);2)cytokine GWAS data of 91 inflammatory factors(n=14824);and 3)CRC risk data from the FinnGen consortium(6847 cases and 314193 controls).The primary analysis was conducted using the inverse-variance weighted(IVW)method,with sensitivity analyses performed using MR Egger regression and the weighted median method.Effect estimates including odds ratios(OR),95%confidence intervals(CI),and false discovery rates(FDR)were calculated.Results:MR analysis indicated that higher levels of axin-1(AXIN1)(OR=0.84195%CI 0.714 to 0.991)and Fms-related tyrosine kinase 3 ligand(Flt3L)(OR=0.916,95%CI 0.844 to 0.994)were associated with a reduced risk of CRC.In contrast,higher levels of Delta/Notchlike epidermal growth factor-related receptor(DNER)(OR=1.119,95%CI 1.009 to 1.241)and vascular endothelial growth factor A(VEGF-A)(OR=1.078,95%CI 1.011 to 1.150)were associated with an increased risk of CRC(all P<0.05).Metabolomics association analysis further identified 144 serum metabolites significantly correlated with these four key inflammatory cytokines(FDR<0.05),suggesting that they may regulate CRC risk through inflammatory pathways.Conclusion:Specific inflammatory cytokines and serum metabolites have causal relationships with the risk of CRC.These findings provide insights for further exploration of potential risk factors and the development of effective prevention strategies for CRC.展开更多
Selecting the embryo with the highest implantation potential is a top priority in in-vitro fertilization(IVF)centers.Few studies have explored the relationship between day 5 blastocyst morphokinetics and implantation ...Selecting the embryo with the highest implantation potential is a top priority in in-vitro fertilization(IVF)centers.Few studies have explored the relationship between day 5 blastocyst morphokinetics and implantation outcomes[1].Despite numerous time-lapse studies,the findings often conflict due to differences in patient demographics,lab conditions,and protocols,such as oxygen concentration[2].Thus,there is ongoing debate regarding which parameters are most predictive of implantation.展开更多
In this context,the present study proposes the use of microwave irradiation to improve the dehydration rate and efficiency of strontium hydroxide octahydrate(Sr(OH)_(2)·8H_(2)O)without introducing contaminants.Th...In this context,the present study proposes the use of microwave irradiation to improve the dehydration rate and efficiency of strontium hydroxide octahydrate(Sr(OH)_(2)·8H_(2)O)without introducing contaminants.This study revealed that the use of microwave irradiation to dehydrate Sr(OH)_(2)·8H_(2)O is feasible and surprisingly efficient.The effects of this approach on important parameters were investigated using response surface methodology(RSM).The results revealed that the microwave dehydration process follows a linear polynomial model.In addition,compared with the heating time and material thickness,the microwave-assisted dehydration of Sr(OH)_(2)·8H_(2)O is sensitive to the microwave power and not to the material mass.The relative dehydration percentage reached 99.99%when heated in a microwave oven at 950Wfor just 3 min.In contrast,a relative dehydration percentage of 94.6%was reached when heated in an electric furnace at 180℃for 120 min.The XRD spectra also revealed that most of the Sr(OH)_(2)·8H_(2)O transformed into Sr(OH)_(2)after dehydration via microwave irradiation,whereas a significant portion of the Sr(OH)_(2)·H_(2)O remained after conventional electric dehydration.The experimental data were fitted and analyzed via the thin-layer drying dynamics model,and the results indicated that the dehydrating behavior of Sr(OH)_(2)·8H_(2)O could be well described by the Page model.展开更多
In molybdenum chemistry,the oxidative addition of o-quinone or 1,2-dicarbonyl compounds to molybdenum has been widely used in Mo-catalyzed C—C bond construction.The carbonyl oxidative addition to Mo(0)or Mo(Ⅱ)is the...In molybdenum chemistry,the oxidative addition of o-quinone or 1,2-dicarbonyl compounds to molybdenum has been widely used in Mo-catalyzed C—C bond construction.The carbonyl oxidative addition to Mo(0)or Mo(Ⅱ)is the critical elementary reaction of molybdenum catalysis.However,the relevant density functional theory(DFT)studies are relatively scarce,especially regarding the rational selection of functionals.In this work,14 functionals were employed to investigate the Mo-catalyzed carbonyl oxidative addition step.A benchmark study was carried out to evaluate their performance in structure optimization and energy calculation.Analyses of mean absolute error(MAE)and mean squared error(MSE)indicated that the B3LYP-D3(BJ),TPSSh,and ωB97X-D functionals exhibited superior performance in structure optimization.Using the DLPNO-CCSD(T)functional as the reference,the M06,M06-L,and MN15-L functionals exhibited good performance for energy calculation based on the structures optimized using the B3LYP-D3(BJ)functional.In particular,MN15-L provided the best performance with the smallest MAE and MSE.展开更多
Objective:To identify the root causes of typical adverse drug events through the lens of patient experiences proposing novel strategies to mitigate preventable harm.Methods:A qualitative case study leveraging in-depth...Objective:To identify the root causes of typical adverse drug events through the lens of patient experiences proposing novel strategies to mitigate preventable harm.Methods:A qualitative case study leveraging in-depth interviews with patients and families,anchored by Interactive Patient Par ticipation Theory,to analyze 4 high-severity adverse drug events(ADE)cases.Cases were purposively sampled from 8 communities in China's National Adverse Event Monitor Center(2018-2023).Semi-structured interviews explored patient perspectives,with data analyzed via thematic coding and triangulation against clinical records.Results:Five interconnected themes emerged:(1)erosion of trust,(2)communication breakdowns,(3)information asymmetry,(4)environmental inadequacies,and(5)technological alienation.Notably,75% of participants had≤high school education,and 50% used≥7 medications daily,compounding ADE risks.Conclusions:We considered elements mentioned by theory,exploring trust,communication,information,and suppor t as the root causes.In addition,we added“adaptability to new technology”as an impor tant and necessary component.It is impor tant and necessary to analyze typical adverse drug events from the perspectives of patients.展开更多
Diacylglycerol(DAG)is a functional oil that can reduce body fat accumulation and postprandial triglycerides.In this study,lipase-catalyzed esterification of oleic acid with glycerol was investigated to elucidate the k...Diacylglycerol(DAG)is a functional oil that can reduce body fat accumulation and postprandial triglycerides.In this study,lipase-catalyzed esterification of oleic acid with glycerol was investigated to elucidate the kinetics and selectivity of each reaction step.1H NMR monitoring revealed equilibrated positional isomerization among acylglycerols:sn-1 monoolein comprised 97.3%of total monoacylglycerols,and sn-1,3 diolein comprised 73.3%of total diacylglycerols.Acyl migration(isomer equilibration)occurred faster than overall esterification.The observed rate constants for successive esterification steps(glycerol→monoacylglycerol,monoacylglycerol→diacylglycerol,diacylglycerol→triacylglycerol)were 0.01068,0.00615,and 0.00304 min^(-1),respectively,indicating progressively slower reaction rates for larger acylglycerol species.Furthermore,molecular distillation at 200–220℃ purified the DAG without altering its fatty acid profile.These findings establish a kinetic model of the three-step esterification and highlight the importance of acyl migration in enzymatic DAG synthesis.展开更多
The sulfation and decomposition process has proven effective in selectively extracting lithium from lepidolite.It is essential to clarify the thermochemical behavior and kinetic parameters of decomposition reactions.A...The sulfation and decomposition process has proven effective in selectively extracting lithium from lepidolite.It is essential to clarify the thermochemical behavior and kinetic parameters of decomposition reactions.Accordingly,comprehensive kinetic study by employing thermalgravimetric analysis at various heating rates was presented in this paper.Two main weight loss regions were observed during heating.The initial region corresponded to the dehydration of crystal water,whereas the subsequent region with overlapping peaks involved complex decomposition reactions.The overlapping peaks were separated into two individual reaction peaks and the activation energy of each peak was calculated using isoconversional kinetics methods.The activation energy of peak 1 exhibited a continual increase as the reaction conversion progressed,while that of peak 2 steadily decreased.The optimal kinetic models,identified as belonging to the random nucleation and subsequent growth category,provided valuable insights into the mechanism of the decomposition reactions.Furthermore,the adjustment factor was introduced to reconstruct the kinetic mechanism models,and the reconstructed models described the kinetic mechanism model more accurately for the decomposition reactions.This study enhanced the understanding of the thermochemical behavior and kinetic parameters of the lepidolite sulfation product decomposition reactions,further providing theoretical basis for promoting the selective extraction of lithium.展开更多
基金supported by the project grant,MLP-7016-28(EVB)of CSIR-NGRI,India。
文摘This study investigates four Late Permian Gondwana coals from the Raniganj sub-basin,Damodar Valley and three Early Permian Gondwana coals from the Talcher sub-basin,Mahanadi Valley.The study aims to characterize the kerogen type,hydrocarbon generation potential,thermal maturity,and organic matter composition,as well as to explore the impact of organic matter characteristics on kerogen kinetic parameters,utilizing multi proxy approach.The study further investigates the influence of the mineral matrix on kerogen decomposition kinetics.Based on the Rock-Eval parameters,Fourier transform infrared spectroscopy(FTIR)parameters,and vitrinite reflectance(R_(o)),the kerogen is primarily classified as immature/early mature TypeⅢkerogen derived from terrestrial land plants,with minor contribution from TypeⅡkerogen having mainly gas generating potential.The source of the organic matter,as determined by stable carbon isotopic composition(δ^(13)C_(org))values and C/N ratios indicates a primary input from C_(3) terrestrial plants.The presence of enriched collotelinites and liptinites,such as sporinite and resinite,provides evidence for the input of terrestrial higher plants,including both herbaceous and arborescent species.Various indices derived from maceral abundances,including the gelification index(GI),tissue preservation index(TPI),and vegetation index(VI),collectively indicate diverse depositional conditions which range from wet forest swamps to shallow water-covered wet forest swamps and even dry forest swamps.The variation in vitrinite macerals influenced the kerogen type and consequently impacted the kinetic parameters,viz.the distribution of activation energies(E_(a)),kerogen transformation ratio(KTR),and hydrocarbon generation rate(HGR).Among the Talcher coals,shaly coals exhibit different kerogen type and kerogen transformation.This dissimilarity can be attributed to variable maceral compositions.Unlike the Talcher samples,all Raniganj samples show consistent kinetic behaviour despite their sample type(coal/shaly coal)or kerogen type(TypeⅢ/mixed TypeⅡ/Ⅲ)owing to comparable liptinite/vitrinite maceral composition.This study reveals that whilst the presence of mineral matrix shifts the apparent E_(a) of kerogen through interactions like adsorption and catalysis,it does not significantly affect the kerogen type,HGR,or KTR of the studied coals.
基金supported by the Key Research Program of the Institute of Geology&Geophysics,CAS(Grant No.IGGCAS-201903).
文摘Natural gas hydrates widely accumulate in submarine sediments composed of clay minerals.However,due to the complex physiochemistry and micron-sized particles of clay minerals,their effects on methane hydrate(MH)formation and dissociation are still in controversy.In this study,montmorillonite and illite were separately mixed with quartz sand to investigate their effects on MH formation and dissociation.The microstructure of synthesized samples was observed by cryo-SEM innovatively to understand the effects of montmorillonite and illite on MH phase transition in micron scale.Results show that montmorillonite and illite both show the inhibition on MH formation kinetics and water-to-hydrate conversion,and illite shows a stronger inhibition.The 10 wt%montmorillonite addition significantly retards MH formation rate,and the 20 wt%montmorillonite has a less inhibition on the rate.The increase of illite mass ratio(0-20 wt%)retards the rate of MH formation.As the content of clay minerals increase,the water-to-hydrate conversion decreases.Cryo-SEM images presented that montmorillonite aggregates separate as individual clusters while illite particles pack as face-to-face configuration under the interaction with water.The surface-overlapped illite aggregates would make sediments pack tightly,hinder the contact between gas and water,and result in the more significant inhibition on MH formation kinetics.Under the depressurization method,the addition of clay minerals facilitates MH dissociation rate.Physicochemical properties of clay minerals and MH distribution in the pore space lead to the faster dissociation rate in clay-containing sediments.The results of this study would provide beneficial guides on geological investigations and optimizing strategies of natural gas production in marine hydrate-bearing sediments.
基金financially supported by the National Natural Science Foundation of China(No.52074204)Key R&D Program of Zhejiang Province,China(No.2022C03061)。
文摘The adsorption kinetics of polystyrene[1-butyl-3-methylimidazolium][bis(2,4,4-trimethylpentyl)phosphinate](PS[C_(4)mim][C272])towards V(V)in acidic leachate was explored under ultrasound.The effects of ultrasonic power and V(V)concentration on the adsorption performance of PS[C_(4)mim][C272]were investigated.The results showed that ultrasonic radiation significantly shortened the adsorption equilibrium time and improved the adsorption performance of PS[C_(4)mim][C272]compared with the conventional oscillation.At an ultrasonic power of 200 W,the equilibrium adsorption capacity of PS[C_(4)mim][C272]reached its maximum of 311.58 mg/g.The kinetic model fitting results showed that the adsorption process of PS[C_(4)mim][C272]strictly followed the pseudo-second-order kinetic model under ultrasound.Analysis using the shrinking core model and the Weber−Morris model showed that the adsorption process of PS[C_(4)mim][C272]was primarily controlled by intra-particle diffusion mechanism.The adsorption isotherm model study showed that the Langmuir isotherm model could effectively fit the adsorption process of PS[C_(4)mim][C272]under ultrasound.
基金sponsored by the Major Science and Technology Special Plan“Unveiling and Leading”Project of Shanxi Province(No.202201050201011)Major Science and Technology Projects of Anhui Province(No.202210700037)Special Funding for Science and Technology of China Minmetals Corporation(No.2021ZXD01).
文摘Eggshells,a by-product of the food industry,represent a significant yet often overlooked waste stream.Given their vast production volume and inherent properties,eggshells have the potential to serve as a sustainable and environmentally friendly co-fuel.Aiming to explore the co-combustion characteristics and kinetics of pulverized coal blended with eggshells and offer insights into their combined use as a renewable energy source,a systematic investigation was conducted to evaluate the physical and chemical properties of Shangwan bituminous coal,Shouyang anthracite coal,eggshell(ES)and their blends.Additionally,comprehensive experimental analyses were performed at different heating rates applying a non-isothermal thermogravimetric method.The findings revealed that the addition of ES enhanced the combustion efficiency.The combustion characteristics were significantly influenced by the ES content,with an optimal blend ratio identified for maximum combustion efficiency.To represent the thermal degradation experiments,random pore model and volume model were employed.Furthermore,activation energies and pre-exponential factors were determined.The random pore model demonstrated more superior performance compared to the volume model.The activation energies of all the samples ranged between 18.29 and 42.48 kJ/mol,with the lowest value observed for the sample containing 20 mass%ES.
基金support by the Basic Science Center Program of the Ordered Energy Conversion of the National Nature Science Foundation of China(NO.52488201)is gratefully acknowledged.
文摘Accurate prediction of the composition of pyrolysis products is the prerequisite for achieving directional regulation of organic-rich shale pyrolysis and conversion products.In this paper,the classical segmented pyrolysis kinetics model and a new refined pyrolysis kinetics model were used to forecast the composition distribution of hydrocarbon generation products co-heated by supercritical water and medium and low maturity organic-rich shale.The prediction accuracy of the two reaction kinetics models for the composition of pyrolysis products of organic-rich shale was compared.The reaction path of hydrocarbon generation in centimeter sized organic-rich shale under the action of supercritical water was identified.The results show that the prediction accuracy of the classical segmented pyrolysis kinetics model was poor at the initial stage of the reaction,and gradually increased with increasing time.The prediction error can reach less than 25%when the reaction time was 12 h.The new refined model of reaction kinetics established is better than the classical reaction kinetics model in predicting the product distribution of pyrolysis oil and gas,and its prediction error is less than 14%in this paper.The reaction paths of hydrocarbon generation in centimeter sized organic-rich shale under supercritical water conversion mainly include organic-rich shale directly generates asphaltene and saturated hydrocarbon,asphaltene pyrolysis generates saturated hydrocarbon,aromatic hydrocarbon and resin,saturated hydrocarbon,aromatic hydrocarbon and resin polymerization generates asphaltene,and saturated hydrocarbon,resin and asphaltene generates gas.The reason for the difference of centimeter sized and millimeter sized medium and low maturity organic-rich shales hydrocarbon generation in supercritical water is that the increase of shale size promotes the reaction path of polymerization of saturated hydrocarbon and aromatic hydrocarbon to asphaltene.
基金supported by the Natural Science Foundation of Shanxi Province(Grant No.202203021221120)The Open Fund of MCRI-Shannxi Laboratory of Energetic Materials(Grant No.204-J-2024-2622)。
文摘This study prepared a class of RDX-based composite microspheres(RAF)containing ADN and FKM2602.The reaction kinetics of RAF composite microspheres were effectively improved by maintaining the system's high energy and safety performance.In the close packing state,when the heating rate is rapid,the thermal stability of RAF composite microspheres is better than that of RDX;the close packing state will reduce the degree of freedom of RDX and ADN reaction but will increase the degree of freedom of RAF composite microsphere reaction.The thermal conductivity of RAF composite microspheres is close to that of RDX.In the ignition experiment,the flame of RAF composite microspheres can be maintained without the external heat source.Regarding safety,the H50of RAF composite microspheres was 274.04%higher than that of RDX.The detonation velocity of RAF composite microspheres is slightly higher than that of raw material RDX.Overall,these findings highlight the effectiveness of ADN in enhancing the reaction kinetics of RDX-based composites.
基金financially supported by the Fundamental Research Project of Yunnan Province,China(Nos.202301AW070020,202201AT070229,202105AC160091,202202AB080018).
文摘The vacuum volatilization kinetics of Pb in In-Pb solder was investigated.The results indicate a significant increase in the vacuum volatilization rates of Pb,25In-75Pb,40In-60Pb,and In with increasing temperatures from 923 to 1123 K,system pressure of 3 Pa and holding time of 30 min.The mass transfer coefficients and apparent activation energies of Pb and its alloys were determined at various temperatures.Additionally,a kinetics model was developed to describe Pb vacuum volatilization in high-temperature melts.It is obtained that the vapor mass transfer is the factor limiting the vacuum volatilization rates of Pb and In-Pb alloys under the above specified conditions.
基金supported by the National Natural Science Foundation of China(Grant Nos.82573974 and 82373475)to Z.Y.
文摘Dear Editor,Psoriasis,a chronic inflammatory cutaneous condition,is characterized by the development of red plaques with silvery scales,significantly affecting patients'quality of life and mental health[1].This condition is thought to affect approximately 2%of the Western population,with diagnosis peaking in early adulthood[2].Vitamin D,a fat-soluble vitamin,is essential for phospho-calcium metabolism,calcium homeostasis,and bone health.
基金supported by the National Natural Science Foundation of China(Grant No.12275154)the Guangdong Basic and Applied Basic Research Foundation,China(Project No.2021B1515140028)+1 种基金the Youth Innovation Promotion Association,CAS(No.2020010)the National Key Research and Development Program of China,grant number(Nos.2021YFA1600701 and 2021YFB3501201).
文摘Solid-state precipitation is an effective strategy for tuning the mechanical and functional properties of ad-vanced alloys.Structure design and modification necessitate good knowledge of the kinetic evolution of precipitates during fabrication,which is strongly correlated with defect concentration.For Fe-Ga alloys,giant magnetostriction can be induced by the precipitation of the nanoscale tetragonal L60 phase.By introducing quenched-in vacancies,we significantly enhance the magnetostriction of the aged Fe81Ga19 polycrystalline alloys to~305 ppm,which is close to the level of single crystals.Although vacancies were found to facilitate the generation of the L60 phase,their impact on the precipitation mechanism and kinetics has yet to be revealed.This study combined transmission electron microscopy(TEM)and time-resolved small-angle neutron scattering(SANS)to investigate the precipitation of the L60 phase during the isothermal aging at 350 and 400℃,respectively.The evolution of L60 nanophase in morphology and number density in as-cast(AC)and liquid nitrogen quenched(LN)Fe81Ga19 alloys with aging time were quantitatively compared.Interestingly,the nucleation of the L60 phase proceeds progressively in AC while suddenly in LN specimens,indicating the homogenous to heterogeneous mechanism switching in-duced by concentrated vacancies.Moreover,excess vacancies can change the shape of nanoprecipitates and significantly accelerate the growth and coarsening kinetics.The magnetostrictive coefficient is opti-mized when the size(long-axis)of L60 precipitates lies between 100 and 110Åwith a number density between 3.2-4.3×10-7Å-3.Insight from this study validates the feasibility of achieving high magnetoe-lastic properties through precise manipulation of the nanostructure.
基金National Natural Science Foundation of China (NSFC,Grant Nos.52176114 and 52306145)Natural Science Foundation of Jiangsu Province (Grant No.BK20230929)+2 种基金China Postdoctoral Science Foundation (Grant No.2024M764222)Fundamental Research Funds for the Central Universities (Grant No.30924010505)Jiangsu Funding Program for Excellent Postdoctoral Talent。
文摘This study investigates the combustion characteristics of reactive aluminium alloys in combination with fluoropolymer oxidizers. Aluminium-magnesium(Al-Mg) and aluminium-titanium(Al-Ti) alloys were selected as metallic fuels, while polyvinylidene fluoride(PVDF) was employed as the oxidizer. Composite samples were prepared using two methods: electrostatic spraying(ES) and physical mixing(PM). The ES method yielded samples with a PVDF-coated structure, whereas the PM method produced simple mixtures. The samples and their combustion products were characterized using scanning electron microscopy(SEM), X-ray diffraction(XRD), combustion experiments, and thermal analysis. The results indicate that compared to the PM samples, the ES-coated samples exhibited more effective dispersion of metallic particles, reduced particle agglomeration, increased combustion heat release temperature, decreased maximum flame area and height, and mitigated or eliminated explosive or micro-explosive phenomena during combustion, thereby achieving stable combustion. Additionally, the ES samples demonstrated a significant reduction in the particle size of condensed-phase products after combustion, alleviated sintering and agglomeration, decreased the formation of metal oxides, and minimized residual metallic fuel, allowing for the full release of combustion heat. Thermal analysis revealed that the coating structure of the ES samples lowered the activation energy for the reaction between the metallic fuel and PVDF, thereby enhancing the chemical reactivity.
基金the Natural Sciences and Engineering Research Council of Canada(NSERC)for funding this researchThis research used a high temperature confocal laser scanning microscope-VL2000DX-SVF17SP funded by Canada Foundation for Innovation John Evans Leaders Fund(CFI JELF,Project Number:32826),a PANalytical X’Pert diffraction instrument located at the Centre for crystal growth,Brockhouse Institute for Materials Research,and a scanning electron microscope-JEOL 6610 located at the Canadian Centre for Electron Microscopy at McMaster University.W.Mu would like to acknowledge Swedish Iron and Steel Research Office(Jernkonteret),STINT and SSF for supporting the time for international collaboration research regarding clean steel.
文摘Dissolution kinetics of CaO·2Al_(2)O_(3)(CA_(2))particles in a synthetic CaO-Al_(2)O_(3)-SiO_(2)steelmaking slag system have been investigated using the high-temperature confocal laser scanning microscope.Effects of temperature(i.e.,1500,1550,and 1600℃)and slag composition on the dissolution time of CA_(2)particles are investigated,along with the time dependency of the projection area of the particle during the dissolution process.It is found that the dissolution rate was enhanced by either an increase in temperature or a decrease in slag viscosity.Moreover,a higher ratio of CaO/Al_(2)O_(3)(C/A)leads to an increased dissolution rate of CA_(2)particle at 1600℃.Thermodynamic calculations suggested the dissolution product,i.e.,melilite,formed on the surface of the CA_(2)particle during dissolution in slag with a C/A ratio of 3.8 at 1550℃.Scanning electron microscopy equipped with energy dispersive X-ray spectrometry analysis of as-quenched samples confirmed the dissolution path of CA_(2)particles in slags with C/A ratios of 1.8 and 3.8 as well as the melilite formed on the surface of CA_(2)particle.The formation of this layer during the dissolution process was identified as a hindrance,impeding the dissolution of CA_(2)particle.A valuable reference for designing or/and choosing the composition of top slag for clean steel production is provided,especially using calcium treatment during the secondary refining process.
基金Supported by Innovation Capability Support Program of Shaanxi(2024RS-CXTD-53,2024ZC-KJXX-096)the Key R&D Program of Shaanxi Province(2022QCY-LL-69)Xi’an Science and Technology Project(24GXFW0089)。
文摘Under the backdrop of“Carbon Peak and Carbon Neutrality”(dual carbon)goal in China,the methane-carbon dioxide reforming reaction has attracted considerable attention due to its environmental benefits of converting two greenhouse gases(methane and carbon dioxide)into syngas and its promising industrial applications.Nickel(Ni)-based catalysts,with high catalytic activity,low cost,and abundant resources,are considered ideal candidates for industrial applications.In this article,three reaction kinetic models were briefly introduced,namely the Power-Law(PL)model,the Eley-Rideal(ER)model,and the Langmuir-Hinshelwood-Hougen-Watson(LHHW)model.Based on the LHHW model,the reaction kinetics and mechanisms of different catalytic systems were systematically discussed,including the properties of supports,the doping of noble metals and transition metals,the role of promoters,and the influence of the geometric and electronic structures of Ni on the reaction mechanism.Furthermore,the kinetics of carbon deposition and elimination on various catalysts were analyzed.Based on the reaction rate expressions for carbon elimination,the reasons for the high activity of transition metal iron(Fe)-doped catalysts and core-shell structured catalysts in carbon elimination were explained.Based on the detailed collation and comparative analysis of the reaction mechanisms and kinetic characteristics across diverse Ni-based catalytic systems,a theoretical guidance for the designing of high-performance catalysts was provided in this work.
基金the financial support from European Union’s Horizon Europe program HAlMan project (No. 101091936)
文摘Replacing solid carbon with hydrogen gas in ferromanganese production presents a forward-thinking,sustainable solution to re-ducing the ferro-alloy industry’s carbon emissions.The HAlMan process,a groundbreaking and eco-friendly method,has been meticu-lously researched and scaled up from laboratory experiments to pilot tests,aiming to drastically cut CO_(2) emissions associated with ferro-manganese production.This innovative process could potentially reduce CO_(2) emissions by about 1.5 tonnes for every tonne of ferroman-ganese produced.In this study,a lab-scale vertical thermogravimetric furnace was used to carry out the pre-reduction of Nchwaning man-ganese ore,where direct reduction occurred with H_(2) gas under controlled isothermal conditions at 700,800,and 900℃.The results indic-ated that higher pre-reduction temperatures(800 and 900℃)effectively converted Fe_(2)O_(3) to metallic iron and Mn_(2)O_(3) to MnO.By continu-ously monitoring the mass changes during the reduction,both the rate and extent of reduction were assessed.A second-order reaction model was applied to validate the experimental outcomes of H_(2) reduction at various temperatures,showing apparent activation energies of 29.79 kJ/mol for dried ore and 61.71 kJ/mol for pre-calcined ore.The reduction kinetics displayed a strong dependence on temperature,with higher temperatures leading to quicker and more complete reductions.The kinetics analysis suggested that the chemical reaction at the gas-solid interface between hydrogen and the manganese ore is likely the rate-limiting step in this process.
基金supported by the Natural Science Foundation of Hunan Province (2022JJ30987)the Key Research and Development Project of Hunan Province (2024JK2107),China。
文摘Objective:The incidence and mortality of colorectal carcinoma(CRC)continue to rise globally,highlighting the need to identify modifiable risk factors for early detection and prevention.Previous studies have demonstrated significant associations between CRC risk and various serum metabolites as well as inflammatory cytokines;however,due to limitations in study design and potential confounding factors,the causal relationships remain unclear.This study aims to investigate the causal relationships between inflammatory cytokines,serum metabolites,and CRC risk,providing a theoretical basis for the development of novel early diagnostic biomarkers and therapeutic targets.Methods:A two-sample Mendelian randomization(MR)design was applied using summary statistics from genome-wide association studies(GWAS).Instrumental variables(IVs)were derived from:1)metabolomics GWAS data of 1400 serum metabolites(n=8299);2)cytokine GWAS data of 91 inflammatory factors(n=14824);and 3)CRC risk data from the FinnGen consortium(6847 cases and 314193 controls).The primary analysis was conducted using the inverse-variance weighted(IVW)method,with sensitivity analyses performed using MR Egger regression and the weighted median method.Effect estimates including odds ratios(OR),95%confidence intervals(CI),and false discovery rates(FDR)were calculated.Results:MR analysis indicated that higher levels of axin-1(AXIN1)(OR=0.84195%CI 0.714 to 0.991)and Fms-related tyrosine kinase 3 ligand(Flt3L)(OR=0.916,95%CI 0.844 to 0.994)were associated with a reduced risk of CRC.In contrast,higher levels of Delta/Notchlike epidermal growth factor-related receptor(DNER)(OR=1.119,95%CI 1.009 to 1.241)and vascular endothelial growth factor A(VEGF-A)(OR=1.078,95%CI 1.011 to 1.150)were associated with an increased risk of CRC(all P<0.05).Metabolomics association analysis further identified 144 serum metabolites significantly correlated with these four key inflammatory cytokines(FDR<0.05),suggesting that they may regulate CRC risk through inflammatory pathways.Conclusion:Specific inflammatory cytokines and serum metabolites have causal relationships with the risk of CRC.These findings provide insights for further exploration of potential risk factors and the development of effective prevention strategies for CRC.
文摘Selecting the embryo with the highest implantation potential is a top priority in in-vitro fertilization(IVF)centers.Few studies have explored the relationship between day 5 blastocyst morphokinetics and implantation outcomes[1].Despite numerous time-lapse studies,the findings often conflict due to differences in patient demographics,lab conditions,and protocols,such as oxygen concentration[2].Thus,there is ongoing debate regarding which parameters are most predictive of implantation.
基金supported by the Research Program of the Science and Technology Department of Guizhou Province(Qiankehe Jichu[2019]1418)the Research Program of Talented Scholars of Guizhou Institute of Technology(XJGC20190965).
文摘In this context,the present study proposes the use of microwave irradiation to improve the dehydration rate and efficiency of strontium hydroxide octahydrate(Sr(OH)_(2)·8H_(2)O)without introducing contaminants.This study revealed that the use of microwave irradiation to dehydrate Sr(OH)_(2)·8H_(2)O is feasible and surprisingly efficient.The effects of this approach on important parameters were investigated using response surface methodology(RSM).The results revealed that the microwave dehydration process follows a linear polynomial model.In addition,compared with the heating time and material thickness,the microwave-assisted dehydration of Sr(OH)_(2)·8H_(2)O is sensitive to the microwave power and not to the material mass.The relative dehydration percentage reached 99.99%when heated in a microwave oven at 950Wfor just 3 min.In contrast,a relative dehydration percentage of 94.6%was reached when heated in an electric furnace at 180℃for 120 min.The XRD spectra also revealed that most of the Sr(OH)_(2)·8H_(2)O transformed into Sr(OH)_(2)after dehydration via microwave irradiation,whereas a significant portion of the Sr(OH)_(2)·H_(2)O remained after conventional electric dehydration.The experimental data were fitted and analyzed via the thin-layer drying dynamics model,and the results indicated that the dehydrating behavior of Sr(OH)_(2)·8H_(2)O could be well described by the Page model.
基金Project supported by the Fundamental Research Funds for the Central Universities(No.2042025kf0052)。
文摘In molybdenum chemistry,the oxidative addition of o-quinone or 1,2-dicarbonyl compounds to molybdenum has been widely used in Mo-catalyzed C—C bond construction.The carbonyl oxidative addition to Mo(0)or Mo(Ⅱ)is the critical elementary reaction of molybdenum catalysis.However,the relevant density functional theory(DFT)studies are relatively scarce,especially regarding the rational selection of functionals.In this work,14 functionals were employed to investigate the Mo-catalyzed carbonyl oxidative addition step.A benchmark study was carried out to evaluate their performance in structure optimization and energy calculation.Analyses of mean absolute error(MAE)and mean squared error(MSE)indicated that the B3LYP-D3(BJ),TPSSh,and ωB97X-D functionals exhibited superior performance in structure optimization.Using the DLPNO-CCSD(T)functional as the reference,the M06,M06-L,and MN15-L functionals exhibited good performance for energy calculation based on the structures optimized using the B3LYP-D3(BJ)functional.In particular,MN15-L provided the best performance with the smallest MAE and MSE.
基金supported by the Science and Technology Fund Project of Guizhou Health Commission(gzwkj2025-163)。
文摘Objective:To identify the root causes of typical adverse drug events through the lens of patient experiences proposing novel strategies to mitigate preventable harm.Methods:A qualitative case study leveraging in-depth interviews with patients and families,anchored by Interactive Patient Par ticipation Theory,to analyze 4 high-severity adverse drug events(ADE)cases.Cases were purposively sampled from 8 communities in China's National Adverse Event Monitor Center(2018-2023).Semi-structured interviews explored patient perspectives,with data analyzed via thematic coding and triangulation against clinical records.Results:Five interconnected themes emerged:(1)erosion of trust,(2)communication breakdowns,(3)information asymmetry,(4)environmental inadequacies,and(5)technological alienation.Notably,75% of participants had≤high school education,and 50% used≥7 medications daily,compounding ADE risks.Conclusions:We considered elements mentioned by theory,exploring trust,communication,information,and suppor t as the root causes.In addition,we added“adaptability to new technology”as an impor tant and necessary component.It is impor tant and necessary to analyze typical adverse drug events from the perspectives of patients.
基金Bureau of Science and Information of Guangzhou under grant 2024A04J3254the National Key Research and Development Program of China under grant 2024YFE0214900+2 种基金the National Natural Science Foundation of China under grant 32272341,he National Key Research and Development Program of China under grant 2023YFD2100401the Opening Project of Hubei Key Laboratory of Lipid Chemistry and Nutrition under grant 202401,are gratefully acknowledged.
文摘Diacylglycerol(DAG)is a functional oil that can reduce body fat accumulation and postprandial triglycerides.In this study,lipase-catalyzed esterification of oleic acid with glycerol was investigated to elucidate the kinetics and selectivity of each reaction step.1H NMR monitoring revealed equilibrated positional isomerization among acylglycerols:sn-1 monoolein comprised 97.3%of total monoacylglycerols,and sn-1,3 diolein comprised 73.3%of total diacylglycerols.Acyl migration(isomer equilibration)occurred faster than overall esterification.The observed rate constants for successive esterification steps(glycerol→monoacylglycerol,monoacylglycerol→diacylglycerol,diacylglycerol→triacylglycerol)were 0.01068,0.00615,and 0.00304 min^(-1),respectively,indicating progressively slower reaction rates for larger acylglycerol species.Furthermore,molecular distillation at 200–220℃ purified the DAG without altering its fatty acid profile.These findings establish a kinetic model of the three-step esterification and highlight the importance of acyl migration in enzymatic DAG synthesis.
基金financially supported by the National Natural Science Foundation of China(Nos.52034002 and U2202254)the Fundamental Research Funds for the Central Universities,China(No.FRF-TT-19-001)。
文摘The sulfation and decomposition process has proven effective in selectively extracting lithium from lepidolite.It is essential to clarify the thermochemical behavior and kinetic parameters of decomposition reactions.Accordingly,comprehensive kinetic study by employing thermalgravimetric analysis at various heating rates was presented in this paper.Two main weight loss regions were observed during heating.The initial region corresponded to the dehydration of crystal water,whereas the subsequent region with overlapping peaks involved complex decomposition reactions.The overlapping peaks were separated into two individual reaction peaks and the activation energy of each peak was calculated using isoconversional kinetics methods.The activation energy of peak 1 exhibited a continual increase as the reaction conversion progressed,while that of peak 2 steadily decreased.The optimal kinetic models,identified as belonging to the random nucleation and subsequent growth category,provided valuable insights into the mechanism of the decomposition reactions.Furthermore,the adjustment factor was introduced to reconstruct the kinetic mechanism models,and the reconstructed models described the kinetic mechanism model more accurately for the decomposition reactions.This study enhanced the understanding of the thermochemical behavior and kinetic parameters of the lepidolite sulfation product decomposition reactions,further providing theoretical basis for promoting the selective extraction of lithium.
