Background Vascular hyporeactivity and leakage are key pathophysiologic features that produce multi-organ damage upon sepsis.We hypothesized that pericytes,a group of pluripotent cells that maintain vascular integrity...Background Vascular hyporeactivity and leakage are key pathophysiologic features that produce multi-organ damage upon sepsis.We hypothesized that pericytes,a group of pluripotent cells that maintain vascular integrity and tension,are protective against sepsis via regulating vascular reactivity and permeability.Methods We conducted a series of in vivo experiments using wild-type(WT),platelet-derived growth factor receptor-β(PDGFR-β)-Cre+mT/mG transgenic mice and Tie2-Cre+Cx43^(flox/flox)mice to examine the relative contribution of pericytes in sepsis,either induced by cecal ligation and puncture(CLP)or lipopolysaccharide(LPS)challenge.In a separate set of experiments with Sprague-Dawley(SD)rats,pericytes were depleted using CP-673451,a selective PDGFR-βinhibitor,at a dosage of 40 mg/(kg·d)for 7 consecutive days.Cultured pericytes,vascular endothelial cells(VECs)and vascular smooth muscle cells(VSMCs)were used for mechanistic investigations.The effects of pericytes and pericyte-derived microvesicles(PCMVs)and candidate miRNAs on vascular reactivity and barrier function were also examined.Results CLP and LPS induced severe injury/loss of pericytes,vascular hyporeactivity and leakage(P<0.05).Transplantation with exogenous pericytes protected vascular reactivity and barrier function via microvessel colonization(P<0.05).Cx43 knockout in either pericytes or VECs reduced pericyte colonization in microvessels(P<0.05).Additionally,PCMVs transferred miR-145 and miR-132 to VSMCs and VECs,respectively,exerting a protective effect on vascular reactivity and barrier function after sepsis(P<0.05).miR-145 primarily improved the contractile response of VSMCs by activating the sphingosine kinase 2(Sphk2)/sphingosine-1-phosphate receptor(S1PR)1/phosphorylation of myosin light chain 20 pathway,whereas miR-132 effectively improved the barrier function of VECs by activating the Sphk2/S1PR2/zonula occludens-1 and vascular endothelial-cadherin pathways.Conclusions Pericytes are protective against sepsis through regulating vascular reactivity and barrier function.Possible mechanisms include both direct colonization of microvasculature and secretion of PCMVs.展开更多
The trade-off between efficiency and stability has limited the application of TiO_(2)as a catalyst due to its poor surface reactivity.Here,we present a modification of a TiO_(2)layer with highly stable Sub-5 nm Fe_(2)...The trade-off between efficiency and stability has limited the application of TiO_(2)as a catalyst due to its poor surface reactivity.Here,we present a modification of a TiO_(2)layer with highly stable Sub-5 nm Fe_(2)O_(3)nanoparticles(NP)by modulating its structure-surface reactivity relationship to attain efficiency-stability balance via a voltage-assisted oxidation approach.In situ simultaneous oxidation of the Ti substrate and Fe precursor using high-energy plasma driven by high voltage resulted in uniform distribution of Fe_(2)O_(3)NP embedded within porous TiO_(2)layer.Comprehensive surface characterizations with density functional theory demonstrated an improved electronic transition in TiO_(2)due to the presence of surface defects from reactive oxygen species and possible charge transfer from Ti to Fe;it also unexpectedly increased the active site in the TiO_(2)layer due to uncoordinated electrons in Sub-5 nm Fe_(2)O_(3)NP/TiO_(2)catalyst,thereby enhancing the adsorption of chemical functional groups on the catalyst.This unique embedded structure exhibited remarkable improvement in reducing 4-nitrophenol to 4-aminophenol,achieving approximately 99%efficiency in 20 min without stability decay after 20 consecutive cycles,outperforming previously reported TiO_(2)-based catalysts.This finding proposes a modified-electrochemical strategy enabling facile construction of TiO_(2)with nanoscale oxides extandable to other metal oxide systems.展开更多
The sessile drop method was applied to the experimental investigation of the wetting and spreading behaviors of liquid Mg drops on pure Ni substrates.For comparison,the experiments were performed in two variants:(1)us...The sessile drop method was applied to the experimental investigation of the wetting and spreading behaviors of liquid Mg drops on pure Ni substrates.For comparison,the experiments were performed in two variants:(1)using the Capillary Purification(CP)procedure,which allows the non-contact heating and squeezing of a pure oxide-free Mg drop;(2)by classical Contact Heating(CH)procedure.The high-temperature tests were performed under isothermal conditions(CP:760℃for 30 s;CH:715℃for 300 s)using Ar+5 wt%H_(2) atmosphere.During the sessile drop tests,images of the Mg/Ni couples were recorded by CCD cameras(57 fps),which were then applied to calculate the contact angles of metal/substrate couples.Scanning and transmission electron microscopy analyses,both coupled with energy-dispersive X-ray spectroscopy,were used for detailed structural characterization of the solidified couples.It was found that an oxide-free Mg drop obtained by the CP procedure showed a wetting phenomenon on the Ni substrate(an average contact angleθ<90°in<1 s),followed by fast spreading and good wetting over the Ni substrate(θ_((CP))~20°in 5 s)to form a final contact angle ofθ_(f(CP))~18°.In contrast,a different wetting behavior was observed for the CH procedure,where the unavoidable primary oxide film on the Mg surface blocked the spreading of liquid Mg showing apparently non-wetting behavior after 300 s contact at the test temperature.However,in both cases,the deep craters formed in the Ni substrates under the Mg drops and significant change in the structure of initially pure Mg drops to Mg-Ni alloys suggest a strong dissolution of Ni in liquid Mg and apparent values of the final contact angles measured for the Mg/Ni system.展开更多
Following publication of the original article,the authors observed that both Fig.5 and Fig.4 depict the same image.Figure 5 was inaccurately referenced and displayed.The correct Fig.5 is copied below:The original arti...Following publication of the original article,the authors observed that both Fig.5 and Fig.4 depict the same image.Figure 5 was inaccurately referenced and displayed.The correct Fig.5 is copied below:The original article has been updated.展开更多
The aim of this study was to investigate the oxidation reactivity and behavior of exhaust particulate matter(PM)from diesel engines.PM samples from two diesel engines(1K,CY4102)with different emission levels were coll...The aim of this study was to investigate the oxidation reactivity and behavior of exhaust particulate matter(PM)from diesel engines.PM samples from two diesel engines(1K,CY4102)with different emission levels were collected by a thermophoretic system and a quartz filter.The oxidation reactivity,oxidation behaviors,and physicochemical properties of the PM samples were analyzed using thermogravimetric analysis(TGA),high-resolution transmission electron microscopy(HRTEM),Fourier-transform infrared spectrometry(FTIR),and Raman spectroscopy.The results showed that there was a great difference in the oxidation reactivity of soot particles emitted by the two different diesel engines.A qualitative analysis of the factors influencing oxidation reactivity showed that the nanostructure,degree of graphitization,and relative concentration of aliphatic C—H functional groups were the most important factors,whereas no significant correlation was found between the primary particle size and activation energy of the diesel soot.Based on the oxidation behavior analysis,the diesel soot particles exhibited both internal and surface oxidation modes during the oxidation process.Surface oxidation was dominant during the initial stage,and as oxidation progressed,the mode gradually changed to internal oxidation.Internal oxidation mode of soot particles from the 1K engine was significantly higher than that of CY4102.展开更多
The reactivity and stability of seventeen (17) imidazo [1,2-a]pyridine N-acylhydrazone derivatives were investigated using density functional theory at the B3LYP/6-31+ G (d, p) level. Analysis of the molecular electro...The reactivity and stability of seventeen (17) imidazo [1,2-a]pyridine N-acylhydrazone derivatives were investigated using density functional theory at the B3LYP/6-31+ G (d, p) level. Analysis of the molecular electrostatic potential (MEP) and determination of the dual descriptor revealed that in most cases, the nitrogen atoms of the 6-πelectron conjugation, the oxygen, and the sulfur atom are nucleophilic site. Chemical reactivity of the compounds was assessed through analysis of frontier molecular orbitals (HOMO and LUMO), energy gap (Δℰ), chemical hardness (η), and the softness (S). Consequently, the compound 9e exhibited the lowest reactivity, least electron donating, and the highest stability. This comprehensive study offers valuable insights into the chemical behavior of these derivatives, crucial for further exploration and potential applications.展开更多
Several works have been based on the study of thermal variations in biomass to derive more valuable products such as fuels capable of replacing oil in the event of a crisis or activated carbon used as an adsorbent mat...Several works have been based on the study of thermal variations in biomass to derive more valuable products such as fuels capable of replacing oil in the event of a crisis or activated carbon used as an adsorbent material, widely used in industry for the elimination of unwanted materials, both in liquid and gaseous environments. A study of thermal parameters such as: heating speed, retention time, drying temperature, carbonization temperature, particle size, was carried out with the aim of determining the characteristic factors of the carbonization of Polyethylene terephthalate (PET), sawdust (SC) and sawdust/polyethylene terephthalate (CPS) mixture. The results of the immediate analysis revealed a very low level of ash in PET (0.013%) compared to the level of ash in sawdust (2.9%), as well as a high level of fixed carbon (82.960%), which suggests the presence of mineral oxides and a significant carbon matrix unlike PET, which indicates a very significant organic matrix (essentially made up of organic matter) with the absence of mineral oxides. The study of thermal parameters showed the water loss from Sawdust (SC) and the Sawdust/Polyethylene terephthalate (CPS) mixture, an increase with temperature, unlike that of PET whose variation is essentially zero. Without heat treatment, sawdust alone contains approximately 7% water. The optimal drying temperature for this study is 110˚C for a stay of 24 hours. It appears that the largest mass losses for the PET samples are between 87.19% and 96.05%, followed by that of the mixture, between 47.33% and 64.37%. And the lowest are observed, those of sawdust (from 24.02% to 62.6%). However, here we can say that the influence of the mass is not great, given the slight difference between the losses by temperature. The results of the study of the influence of grain size showed that the differences are insignificant, even if we vary the diameter of the grains from simple to triple. To better minimize physical constraints such as the intragranular diffusibility of the volatile matter and the homogeneity of the temperature in the grains, 75 μm particles are found to be optimal for our study. It can be noted when studying the heating rate that the mass loss at the end of the reaction is approximately the same depending on each precursor material. However, it has been demonstrated that the heating rate strongly influences the nature of the reaction products both for volatile materials and for the solid residue as well as on the kinetic parameters of the chemical reaction. Furthermore, the variation in apparent density shows a decrease as a function of the increase in the residence time of the materials in the reactor. As the carbonization time increases, the apparent density decreases. We note, for the lignocellulosic material, that the apparent density stabilizes after 60 minutes.展开更多
Copper ions(Cu^(2+))are usually added to activate the sulfidized surface of zinc oxide minerals to enhance xanthate attachment using sulfidization xanthate flotation technology.The adsorption of Cu^(2+)and xanthate on...Copper ions(Cu^(2+))are usually added to activate the sulfidized surface of zinc oxide minerals to enhance xanthate attachment using sulfidization xanthate flotation technology.The adsorption of Cu^(2+)and xanthate on the sulfidized surface was investigated in various systems,and its effect on the surface hydrophobicity and flotation performance was revealed by multiple analytical methods and experiments.X-ray photoelectron spectroscopy(XPS)and time-of-flight secondary ion mass spectrometry(To F-SIMS)characterization demonstrated that the adsorption of Cu^(2+)on sulfidized smithsonite surfaces increased the active Cu—S content,regardless of treatment in any activation system.The sulfidized surface pretreated with NH_(4)^(+)-Cu^(2+)created favorable conditions for the adsorption of more Cu^(2+),significantly enhancing the smithsonite reactivity.Zeta potential determination,ultraviolet(UV)-visible spectroscopy,Fourier transform-infrared(FT-IR)measurements,and contact angle detection showed that xanthate was chemically adsorbed on the sulfidized surface,and its adsorption capacity in various systems was illustrated from qualitative and quantitative aspects.In comparison to the Na2S–Cu^(2+)and Cu^(2+)–Na2S–Cu^(2+)systems,xanthate exhibited a higher adsorption capacity on sulfidized smithsonite surfaces in NH_(4)^(+)-Cu^(2+)–Na2S–Cu^(2+)system.Hence,activation with Cu^(2+)–NH4+synergistic species prior to sulfidization significantly enhanced the mineral surface hydrophobicity,thereby increasing its flotation recovery.展开更多
This study aims to analyze the influence of the polycyclic aromatic hydrocarbon(PAH)content in diesel on the physical and chemical properties of diesel soot particles.Four diesel fuels with different PAH content were ...This study aims to analyze the influence of the polycyclic aromatic hydrocarbon(PAH)content in diesel on the physical and chemical properties of diesel soot particles.Four diesel fuels with different PAH content were tested on a 11.6 L direct-injection diesel engine.The raw particulate matter(PM)before the after-treatment devices was collected using the thermophoresis sampling system and the filter sampling system.A transmission electron microscope and Raman spectrometer are used to analyze the physical properties of the soot particles,including morphology,primary particle size distribution,and graphitization degree.A Fourier transform infrared spectrometer and thermogravimetric analyzer are used to characterize the surface chemical composition and oxidation reactivity of soot particles,respectively.The results show that as the PAH content in the fuel decreases,the size of the primary soot particles decreases from 29.58 to 26.70 nm.The graphitization degree of soot particles first increases and then decreases,and the relative content of the aliphatic hydrocarbon functional groups of soot particles first decreases and then increases.The T_(10),T_(50),and T_(90) of soot from high-PAH fuel are 505.3,589.3,and 623.5℃,while those from low-PAH fuel are 480.1,557.5,and 599.2℃,respectively.This indicates that exhaust PM generated by the low-PAH fuel has poor oxidation reactivity.However,as the PAH content in fuel is further decreased,the excessively high cetane number may cause uneven mixing and incomplete combustion,leading to enhanced oxidation reactivity.展开更多
To provide a reliable and comprehensive data reference for core geometry design of graphite-moderated and low-enriched uranium fueled molten salt reactors,the influences of geometric parameters on the temperature coef...To provide a reliable and comprehensive data reference for core geometry design of graphite-moderated and low-enriched uranium fueled molten salt reactors,the influences of geometric parameters on the temperature coefficient of reactivity(TCR)at an assembly level were characterized.A four-factor formula was introduced to explain how different reactivity coefficients behave in terms of the fuel salt volume fraction and assembly size.The results show that the fuel salt temperature coefficient(FSTC)is always negative owing to a more negative fuel salt density coefficient in the over-moderated region or a more negative Doppler coefficient in the under-moderated region.Depending on the fuel salt channel spacing,the graphite moderator temperature coefficient(MTC)can be negative or positive.Furthermore,an assembly with a smaller fuel salt channel spacing is more likely to exhibit a negative MTC.As the fuel salt volume fraction increases,the negative FSTC first weakens and then increases,owing to the fuel salt density effect gradually weakening from negative to positive feedback and then decreasing.Meanwhile,the MTC weakens as the thermal utilization coefficient caused by the graphite temperature effect deteriorates.Thus,the negative TCR first weakens and then strengthens,mainly because of the change in the fuel salt density coefficient.As the assembly size increases,the magnitude of the FSTC decreases monotonously owing to a monotonously weakened fuel salt Doppler coefficient,whereas the MTC changes from gradually weakened negative feedback to gradually enhanced positive feedback.Then,the negative TCR weakens.Therefore,to achieve a proper negative TCR,particularly a negative MTC,an assembly with a smaller fuel salt channel spacing in the under-moderated region is strongly recommended.展开更多
Quasi-solid-state lithium metal battery is a promising candidate for next generation high energy density and high safety power supply.Despite intensive efforts on electrolytes,uncontrolled interfacial reactions on lit...Quasi-solid-state lithium metal battery is a promising candidate for next generation high energy density and high safety power supply.Despite intensive efforts on electrolytes,uncontrolled interfacial reactions on lithium with electrolyte and patchy interfacial contacts still hinder its practical process.Herein,we bring in rationally designed F contained groups into polymer skeleton via in-situ gelation for the first time to establish quasi-solid-state battery.This method achieves a capacity retention of 90%after 1000 cycles at 0.5C with LiFePO_(4)cathodes.The interface constructed by polymer skeleton and reaction with–CF_(3)lead to the predicted solid electrolyte interface species with high stability.Furthermore,we optimize molecular reactivity and interface stability with regulating F contained end groups in the polymer.Comparisons on different structures reveal that high performance solid stable lithium metal batteries rely on chemical modification as well as stable polymer skeleton,which is more critical to construct robust and steady SEI with uniform lithium deposition.New approach with functional groups regulation proposes a more stable cycling process with a capacity retention of 94.2%at 0.5C and 87.6%at 1C after 1000 cycles with LiFePO_(4) cathodes,providing new insights for the practical development of quasi-solid-state lithium metal battery.展开更多
Micropeptin EI-964 is a cyclic peptide compound isolated from a marine cyanobacterium with potent inhibitory activity against serine proteases, particularly chymotrypsin and trypsin. It has shown promising activity ag...Micropeptin EI-964 is a cyclic peptide compound isolated from a marine cyanobacterium with potent inhibitory activity against serine proteases, particularly chymotrypsin and trypsin. It has shown promising activity against various cancer cell lines, making it a candidate for drug development. The unique structure and activity of Micropeptin EI-964 make it a promising lead compound for the development of novel serine protease inhibitors and anti-cancer drugs. Computational Chemistry and Molecular Modeling techniques can provide valuable insights into the chemical reactivity and pharmaceutical properties of Micropeptin EI-964, guiding the design and development of new compounds with enhanced bioactivity and improved drug-like properties.展开更多
MK-1 molecule(C_(16)H_(16)O_(2)),the simplest structure of vitamin K(VK)compound family,is an extract from traditional Chinese medicine Cymbopogon distans(Nees ex Steud.)Wats(Chinese name YunXiangCao),which has attrac...MK-1 molecule(C_(16)H_(16)O_(2)),the simplest structure of vitamin K(VK)compound family,is an extract from traditional Chinese medicine Cymbopogon distans(Nees ex Steud.)Wats(Chinese name YunXiangCao),which has attracted a great deal of attention in recent years due to its antiasthmatic,antitussives and expectorant effects.To investigate the molecular structure and chemical reactivity of MK-1 molecule,computational investigations on six conformational minima structures were carried out at the MP2/6-311++G(2d,2p)level of theory.Several local reactivity descriptors including condensed Fukui function,average local ionization energy,and molecular electrostatic potential on each individual atom were determined to predict the intrinsic reactivity of MK-1 molecule.展开更多
The electronic property of pyrite supercell containing As,Se,Te,Co or Ni hetero atoms were calculated using density functional theory(DFT),and the reactivities of pyrite with oxygen and xanthate were discussed by fr...The electronic property of pyrite supercell containing As,Se,Te,Co or Ni hetero atoms were calculated using density functional theory(DFT),and the reactivities of pyrite with oxygen and xanthate were discussed by frontier orbital methods.The cell volume expands due to the presence of impurity.Co and Ni mainly affect the bands near Fermi levels,while As mainly affects the shallow and deep valence bands,and Se and Te mainly affect the deep valence bands.Electronic density analysis suggests that there exists a strong covalent interaction between hetero atom and its surrounding atoms.By frontier orbital calculation,it is suggested that As,Co and Ni have greater influence on the HOMO and LUMO of pyrite than Se and Te.In addition,pyrite containing As,Co or Ni is easier to oxidize by oxygen than pyrite containing Se or Te,and pyrite containing Co or Ni has greater interaction with collector.These are in agreement with the observed pyrite practice.展开更多
Effect of sulfur impurity on coke reactivity was investigated by simulating petroleum coke with low-impurity pitch coke and impurities doping. And its mechanism was discussed by X-ray diffraction (XRD), scanning elect...Effect of sulfur impurity on coke reactivity was investigated by simulating petroleum coke with low-impurity pitch coke and impurities doping. And its mechanism was discussed by X-ray diffraction (XRD), scanning electron microscopy (SEM) and energy dispersive spectrometer (EDS). The results show that sulfur has strong catalysis on both air and CO2 reactivity of coke in the case of no other impurity interference. Its catalysis is probably realized by triggering organic sulfur→H2S→SO2→COS and elemental sulfur (Sx)→SO2 and organic sulfur→H2S→COS→Sx→C2S→COS reaction systems during coke?O2 and coke?CO2 reactions, respectively, which are partly circular with functions of increasing carbon consumption and enlarging coke specific surface area.展开更多
The formations and transformations of the chemical bonds of reactants and intermediates on cata- lyst surfaces occur in conjunction with the evolution of heat during catalytic reactions. Measure- ment of this evolved ...The formations and transformations of the chemical bonds of reactants and intermediates on cata- lyst surfaces occur in conjunction with the evolution of heat during catalytic reactions. Measure- ment of this evolved heat is helpful in terms of understanding the nature of the interactions be- tween the catalyst and the adsorbed species, and provides insights into the reactivity of the catalyst. Although various techniques have previously been applied to assessments of evolved heat, direct measurements using a Tian-Calvet microcalorimeter are currently the most reliable method for this purpose. In this review, we summarize the relationship between the adsorption/reaction energetics determined by microcalorimetry and the reactivities of supported catalysts, and examine the im- portant role of microcalorimetry in understanding catalytic performance from the energetic point of view.展开更多
Objectives:We sought to determine whether high posttreatment platelet reactivity(HPPR)to a 600 mg loading dose of clopidogrel affects outcomes in Chinese patients with acute coronary syndrome(ACS)following percutaneou...Objectives:We sought to determine whether high posttreatment platelet reactivity(HPPR)to a 600 mg loading dose of clopidogrel affects outcomes in Chinese patients with acute coronary syndrome(ACS)following percutaneous coronary intervention(PCI)and to investigate whether there is a relationship between the number of platelet reactivity units(PRUs)and the characteristics of the patients.Background:Although impaired platelet response to clopidogrel is a strong predictor of unfavorable outcome after PCI,the impact of HPPR to a 600 mg loading dose of clopidogrel in Chinese patients with ACS undergoing PCI is still unknown.Methods:We performed observational research on 134 unselected patients with ACS undergoing urgent or planned PCI with a 600 mg loading dose of clopidogrel.Platelet activation was expressed as the PRU value measured by the VerifyNow assay.Results:Among the 134 patients(mean age 60.62 years[standard deviation 9.13 years],60.4%male),there were 46 patients with HPPR(34.3%)and 88 patients without HPPR(65.7%).At a mean follow-up of 6 months(standard deviation 1 month),the rates of cardiac death,unstable angina,and rehospitalization for target lesion revascularization were higher in the HPPR group(19.6%vs.6.8%,P=0.029).Multivariate analysis identifi ed hemoglobin level and sex as independent predictors of the PRU value(y=456.355−1.736 x 1−31.880 x 2,P<0.05).On receiver operating characteristic curve analysis,PRU values could signifi cantly discriminate between patients with and patients without cardiac death,unstable angina,and rehospitalization for target lesion revascularization(area under the curve 0.758,95%confi dence interval 0.62–0.85,P=0.001,P<0.05).Conclusion:In patients with ACS,HPPR to a 600 mg loading dose of clopidogrel is associated with worse outcomes after PCI.There is some relationship between the PRU value and the hemoglobin level and sex.PRU values can predict the prognosis.展开更多
The paper describes the instrumentation for studying temperature and void reactivity effects that were developed at VR-I zero power reactor. Further are described its operational parameters, fields and ways of its uti...The paper describes the instrumentation for studying temperature and void reactivity effects that were developed at VR-I zero power reactor. Further are described its operational parameters, fields and ways of its utilization as well as issues connected to its implementation into the reactor core.展开更多
Antiplatelet therapy with aspirin or clopidogrel or both is the standard care for patients with proven coronary or peripheral arterial disease,especially those undergoing endovascular revascularization procedures. How...Antiplatelet therapy with aspirin or clopidogrel or both is the standard care for patients with proven coronary or peripheral arterial disease,especially those undergoing endovascular revascularization procedures. However,despite the administration of the antiplatelet regiments,some patients still experience recurrent cardiovascular ischemic events. So far,it is well documented by several studies that in vitro response of platelets may be extremely variable. Poor antiplatelet effect of clopidogrel or high on-treatment platelet reactivity(HTPR) is under investigation by numerous recent studies. This review article focuses on methods used for the ex vivo evaluation of HTPR,as well as on the possible underlying mechanisms and the clinical consequences of this entity. Alternative therapeutic options and future directions are also addressed.展开更多
Ambient volatile organic compounds (VOCs) were sampled at six sites in Beijing in the summer of 2004 and analyzed by GCMS. The chemical reactivities of 73 quantified VOCs species were evaluated by OH loss rates (LO...Ambient volatile organic compounds (VOCs) were sampled at six sites in Beijing in the summer of 2004 and analyzed by GCMS. The chemical reactivities of 73 quantified VOCs species were evaluated by OH loss rates (LOH) and ozone formation potentials (OFPs). Top 15 reactive species, mainly alkenes and aromatics, were identified by these two methods, and accounted for more than 70% of total reactivity of VOCs. In urban areas, isoprene was the most reactive species in term of OH loss rate, contributing 11.4% to the LOH of VOCs. While toluene, accounting for 9.4% of OFPs, appeared to have a long-time role in the photochemical processes. Tongzhou site is obviously influenced by local chemical industry, but the other five sites showed typical urban features influenced mainly by vehicular emissions.展开更多
基金supported by the Key Projects and Innovation Group of National Natural Science Foundation of China(81830065),the Innovation Groups of NSFC(81721001),and the Young Scientists Fund(82102279).
文摘Background Vascular hyporeactivity and leakage are key pathophysiologic features that produce multi-organ damage upon sepsis.We hypothesized that pericytes,a group of pluripotent cells that maintain vascular integrity and tension,are protective against sepsis via regulating vascular reactivity and permeability.Methods We conducted a series of in vivo experiments using wild-type(WT),platelet-derived growth factor receptor-β(PDGFR-β)-Cre+mT/mG transgenic mice and Tie2-Cre+Cx43^(flox/flox)mice to examine the relative contribution of pericytes in sepsis,either induced by cecal ligation and puncture(CLP)or lipopolysaccharide(LPS)challenge.In a separate set of experiments with Sprague-Dawley(SD)rats,pericytes were depleted using CP-673451,a selective PDGFR-βinhibitor,at a dosage of 40 mg/(kg·d)for 7 consecutive days.Cultured pericytes,vascular endothelial cells(VECs)and vascular smooth muscle cells(VSMCs)were used for mechanistic investigations.The effects of pericytes and pericyte-derived microvesicles(PCMVs)and candidate miRNAs on vascular reactivity and barrier function were also examined.Results CLP and LPS induced severe injury/loss of pericytes,vascular hyporeactivity and leakage(P<0.05).Transplantation with exogenous pericytes protected vascular reactivity and barrier function via microvessel colonization(P<0.05).Cx43 knockout in either pericytes or VECs reduced pericyte colonization in microvessels(P<0.05).Additionally,PCMVs transferred miR-145 and miR-132 to VSMCs and VECs,respectively,exerting a protective effect on vascular reactivity and barrier function after sepsis(P<0.05).miR-145 primarily improved the contractile response of VSMCs by activating the sphingosine kinase 2(Sphk2)/sphingosine-1-phosphate receptor(S1PR)1/phosphorylation of myosin light chain 20 pathway,whereas miR-132 effectively improved the barrier function of VECs by activating the Sphk2/S1PR2/zonula occludens-1 and vascular endothelial-cadherin pathways.Conclusions Pericytes are protective against sepsis through regulating vascular reactivity and barrier function.Possible mechanisms include both direct colonization of microvasculature and secretion of PCMVs.
基金supported by the National Projects of the National Research Foundation(NRF)funded by Republic of Korea(#2022R1F1A1072739 and#2022R1A2C1004392)Prof.Nashrah is also grateful for financial supports by the YU Infra-Project in conjunction with BK21 FOUR National Program(#222A251009)by the Nano-Fab-NRF grant funded by Republic of Korea(#2009-0082580).
文摘The trade-off between efficiency and stability has limited the application of TiO_(2)as a catalyst due to its poor surface reactivity.Here,we present a modification of a TiO_(2)layer with highly stable Sub-5 nm Fe_(2)O_(3)nanoparticles(NP)by modulating its structure-surface reactivity relationship to attain efficiency-stability balance via a voltage-assisted oxidation approach.In situ simultaneous oxidation of the Ti substrate and Fe precursor using high-energy plasma driven by high voltage resulted in uniform distribution of Fe_(2)O_(3)NP embedded within porous TiO_(2)layer.Comprehensive surface characterizations with density functional theory demonstrated an improved electronic transition in TiO_(2)due to the presence of surface defects from reactive oxygen species and possible charge transfer from Ti to Fe;it also unexpectedly increased the active site in the TiO_(2)layer due to uncoordinated electrons in Sub-5 nm Fe_(2)O_(3)NP/TiO_(2)catalyst,thereby enhancing the adsorption of chemical functional groups on the catalyst.This unique embedded structure exhibited remarkable improvement in reducing 4-nitrophenol to 4-aminophenol,achieving approximately 99%efficiency in 20 min without stability decay after 20 consecutive cycles,outperforming previously reported TiO_(2)-based catalysts.This finding proposes a modified-electrochemical strategy enabling facile construction of TiO_(2)with nanoscale oxides extandable to other metal oxide systems.
基金supported by the National Science Centre of Poland within OPUS 16 Project,no.2018/31/B/ST8/01172。
文摘The sessile drop method was applied to the experimental investigation of the wetting and spreading behaviors of liquid Mg drops on pure Ni substrates.For comparison,the experiments were performed in two variants:(1)using the Capillary Purification(CP)procedure,which allows the non-contact heating and squeezing of a pure oxide-free Mg drop;(2)by classical Contact Heating(CH)procedure.The high-temperature tests were performed under isothermal conditions(CP:760℃for 30 s;CH:715℃for 300 s)using Ar+5 wt%H_(2) atmosphere.During the sessile drop tests,images of the Mg/Ni couples were recorded by CCD cameras(57 fps),which were then applied to calculate the contact angles of metal/substrate couples.Scanning and transmission electron microscopy analyses,both coupled with energy-dispersive X-ray spectroscopy,were used for detailed structural characterization of the solidified couples.It was found that an oxide-free Mg drop obtained by the CP procedure showed a wetting phenomenon on the Ni substrate(an average contact angleθ<90°in<1 s),followed by fast spreading and good wetting over the Ni substrate(θ_((CP))~20°in 5 s)to form a final contact angle ofθ_(f(CP))~18°.In contrast,a different wetting behavior was observed for the CH procedure,where the unavoidable primary oxide film on the Mg surface blocked the spreading of liquid Mg showing apparently non-wetting behavior after 300 s contact at the test temperature.However,in both cases,the deep craters formed in the Ni substrates under the Mg drops and significant change in the structure of initially pure Mg drops to Mg-Ni alloys suggest a strong dissolution of Ni in liquid Mg and apparent values of the final contact angles measured for the Mg/Ni system.
文摘Following publication of the original article,the authors observed that both Fig.5 and Fig.4 depict the same image.Figure 5 was inaccurately referenced and displayed.The correct Fig.5 is copied below:The original article has been updated.
基金the SINOPEC(124015)and the State Key Laboratory of Engines at Tianjin University(No.K2022-06).
文摘The aim of this study was to investigate the oxidation reactivity and behavior of exhaust particulate matter(PM)from diesel engines.PM samples from two diesel engines(1K,CY4102)with different emission levels were collected by a thermophoretic system and a quartz filter.The oxidation reactivity,oxidation behaviors,and physicochemical properties of the PM samples were analyzed using thermogravimetric analysis(TGA),high-resolution transmission electron microscopy(HRTEM),Fourier-transform infrared spectrometry(FTIR),and Raman spectroscopy.The results showed that there was a great difference in the oxidation reactivity of soot particles emitted by the two different diesel engines.A qualitative analysis of the factors influencing oxidation reactivity showed that the nanostructure,degree of graphitization,and relative concentration of aliphatic C—H functional groups were the most important factors,whereas no significant correlation was found between the primary particle size and activation energy of the diesel soot.Based on the oxidation behavior analysis,the diesel soot particles exhibited both internal and surface oxidation modes during the oxidation process.Surface oxidation was dominant during the initial stage,and as oxidation progressed,the mode gradually changed to internal oxidation.Internal oxidation mode of soot particles from the 1K engine was significantly higher than that of CY4102.
文摘The reactivity and stability of seventeen (17) imidazo [1,2-a]pyridine N-acylhydrazone derivatives were investigated using density functional theory at the B3LYP/6-31+ G (d, p) level. Analysis of the molecular electrostatic potential (MEP) and determination of the dual descriptor revealed that in most cases, the nitrogen atoms of the 6-πelectron conjugation, the oxygen, and the sulfur atom are nucleophilic site. Chemical reactivity of the compounds was assessed through analysis of frontier molecular orbitals (HOMO and LUMO), energy gap (Δℰ), chemical hardness (η), and the softness (S). Consequently, the compound 9e exhibited the lowest reactivity, least electron donating, and the highest stability. This comprehensive study offers valuable insights into the chemical behavior of these derivatives, crucial for further exploration and potential applications.
文摘Several works have been based on the study of thermal variations in biomass to derive more valuable products such as fuels capable of replacing oil in the event of a crisis or activated carbon used as an adsorbent material, widely used in industry for the elimination of unwanted materials, both in liquid and gaseous environments. A study of thermal parameters such as: heating speed, retention time, drying temperature, carbonization temperature, particle size, was carried out with the aim of determining the characteristic factors of the carbonization of Polyethylene terephthalate (PET), sawdust (SC) and sawdust/polyethylene terephthalate (CPS) mixture. The results of the immediate analysis revealed a very low level of ash in PET (0.013%) compared to the level of ash in sawdust (2.9%), as well as a high level of fixed carbon (82.960%), which suggests the presence of mineral oxides and a significant carbon matrix unlike PET, which indicates a very significant organic matrix (essentially made up of organic matter) with the absence of mineral oxides. The study of thermal parameters showed the water loss from Sawdust (SC) and the Sawdust/Polyethylene terephthalate (CPS) mixture, an increase with temperature, unlike that of PET whose variation is essentially zero. Without heat treatment, sawdust alone contains approximately 7% water. The optimal drying temperature for this study is 110˚C for a stay of 24 hours. It appears that the largest mass losses for the PET samples are between 87.19% and 96.05%, followed by that of the mixture, between 47.33% and 64.37%. And the lowest are observed, those of sawdust (from 24.02% to 62.6%). However, here we can say that the influence of the mass is not great, given the slight difference between the losses by temperature. The results of the study of the influence of grain size showed that the differences are insignificant, even if we vary the diameter of the grains from simple to triple. To better minimize physical constraints such as the intragranular diffusibility of the volatile matter and the homogeneity of the temperature in the grains, 75 μm particles are found to be optimal for our study. It can be noted when studying the heating rate that the mass loss at the end of the reaction is approximately the same depending on each precursor material. However, it has been demonstrated that the heating rate strongly influences the nature of the reaction products both for volatile materials and for the solid residue as well as on the kinetic parameters of the chemical reaction. Furthermore, the variation in apparent density shows a decrease as a function of the increase in the residence time of the materials in the reactor. As the carbonization time increases, the apparent density decreases. We note, for the lignocellulosic material, that the apparent density stabilizes after 60 minutes.
基金supported by National Natural Science Foundation of China(No.52264026)Yunnan Fundamental Research Projects(Nos.202301AW070018,and 202101BE070001-009)。
文摘Copper ions(Cu^(2+))are usually added to activate the sulfidized surface of zinc oxide minerals to enhance xanthate attachment using sulfidization xanthate flotation technology.The adsorption of Cu^(2+)and xanthate on the sulfidized surface was investigated in various systems,and its effect on the surface hydrophobicity and flotation performance was revealed by multiple analytical methods and experiments.X-ray photoelectron spectroscopy(XPS)and time-of-flight secondary ion mass spectrometry(To F-SIMS)characterization demonstrated that the adsorption of Cu^(2+)on sulfidized smithsonite surfaces increased the active Cu—S content,regardless of treatment in any activation system.The sulfidized surface pretreated with NH_(4)^(+)-Cu^(2+)created favorable conditions for the adsorption of more Cu^(2+),significantly enhancing the smithsonite reactivity.Zeta potential determination,ultraviolet(UV)-visible spectroscopy,Fourier transform-infrared(FT-IR)measurements,and contact angle detection showed that xanthate was chemically adsorbed on the sulfidized surface,and its adsorption capacity in various systems was illustrated from qualitative and quantitative aspects.In comparison to the Na2S–Cu^(2+)and Cu^(2+)–Na2S–Cu^(2+)systems,xanthate exhibited a higher adsorption capacity on sulfidized smithsonite surfaces in NH_(4)^(+)-Cu^(2+)–Na2S–Cu^(2+)system.Hence,activation with Cu^(2+)–NH4+synergistic species prior to sulfidization significantly enhanced the mineral surface hydrophobicity,thereby increasing its flotation recovery.
基金National Key Research and Development Program of China(2017YFB0306605)Key Laboratory of Engines at Tianjin University(Grant No.K2022-06).
文摘This study aims to analyze the influence of the polycyclic aromatic hydrocarbon(PAH)content in diesel on the physical and chemical properties of diesel soot particles.Four diesel fuels with different PAH content were tested on a 11.6 L direct-injection diesel engine.The raw particulate matter(PM)before the after-treatment devices was collected using the thermophoresis sampling system and the filter sampling system.A transmission electron microscope and Raman spectrometer are used to analyze the physical properties of the soot particles,including morphology,primary particle size distribution,and graphitization degree.A Fourier transform infrared spectrometer and thermogravimetric analyzer are used to characterize the surface chemical composition and oxidation reactivity of soot particles,respectively.The results show that as the PAH content in the fuel decreases,the size of the primary soot particles decreases from 29.58 to 26.70 nm.The graphitization degree of soot particles first increases and then decreases,and the relative content of the aliphatic hydrocarbon functional groups of soot particles first decreases and then increases.The T_(10),T_(50),and T_(90) of soot from high-PAH fuel are 505.3,589.3,and 623.5℃,while those from low-PAH fuel are 480.1,557.5,and 599.2℃,respectively.This indicates that exhaust PM generated by the low-PAH fuel has poor oxidation reactivity.However,as the PAH content in fuel is further decreased,the excessively high cetane number may cause uneven mixing and incomplete combustion,leading to enhanced oxidation reactivity.
基金supported by the Youth Innovation Promotion Association CAS (No.2022258)the National Natural Science Foundation of China (No.12175300)+1 种基金the Chinese TMSR Strategic Pioneer Science and Technology Project (No.XDA02010000)the Young Potential Program of Shanghai Institute of Applied Physics,Chinese Academy of Sciences (No.E1550510)。
文摘To provide a reliable and comprehensive data reference for core geometry design of graphite-moderated and low-enriched uranium fueled molten salt reactors,the influences of geometric parameters on the temperature coefficient of reactivity(TCR)at an assembly level were characterized.A four-factor formula was introduced to explain how different reactivity coefficients behave in terms of the fuel salt volume fraction and assembly size.The results show that the fuel salt temperature coefficient(FSTC)is always negative owing to a more negative fuel salt density coefficient in the over-moderated region or a more negative Doppler coefficient in the under-moderated region.Depending on the fuel salt channel spacing,the graphite moderator temperature coefficient(MTC)can be negative or positive.Furthermore,an assembly with a smaller fuel salt channel spacing is more likely to exhibit a negative MTC.As the fuel salt volume fraction increases,the negative FSTC first weakens and then increases,owing to the fuel salt density effect gradually weakening from negative to positive feedback and then decreasing.Meanwhile,the MTC weakens as the thermal utilization coefficient caused by the graphite temperature effect deteriorates.Thus,the negative TCR first weakens and then strengthens,mainly because of the change in the fuel salt density coefficient.As the assembly size increases,the magnitude of the FSTC decreases monotonously owing to a monotonously weakened fuel salt Doppler coefficient,whereas the MTC changes from gradually weakened negative feedback to gradually enhanced positive feedback.Then,the negative TCR weakens.Therefore,to achieve a proper negative TCR,particularly a negative MTC,an assembly with a smaller fuel salt channel spacing in the under-moderated region is strongly recommended.
基金support from the National Natural Science Foundation of China(52034011)the Fundamental Research Funds for the Science and Technology Program of Hunan Province(2019RS3002)+1 种基金the Central Universities of Central South University(Grant No.2018zzts133)Science and Technology Innovation Program of Hunan Province(2020RC2006).
文摘Quasi-solid-state lithium metal battery is a promising candidate for next generation high energy density and high safety power supply.Despite intensive efforts on electrolytes,uncontrolled interfacial reactions on lithium with electrolyte and patchy interfacial contacts still hinder its practical process.Herein,we bring in rationally designed F contained groups into polymer skeleton via in-situ gelation for the first time to establish quasi-solid-state battery.This method achieves a capacity retention of 90%after 1000 cycles at 0.5C with LiFePO_(4)cathodes.The interface constructed by polymer skeleton and reaction with–CF_(3)lead to the predicted solid electrolyte interface species with high stability.Furthermore,we optimize molecular reactivity and interface stability with regulating F contained end groups in the polymer.Comparisons on different structures reveal that high performance solid stable lithium metal batteries rely on chemical modification as well as stable polymer skeleton,which is more critical to construct robust and steady SEI with uniform lithium deposition.New approach with functional groups regulation proposes a more stable cycling process with a capacity retention of 94.2%at 0.5C and 87.6%at 1C after 1000 cycles with LiFePO_(4) cathodes,providing new insights for the practical development of quasi-solid-state lithium metal battery.
文摘Micropeptin EI-964 is a cyclic peptide compound isolated from a marine cyanobacterium with potent inhibitory activity against serine proteases, particularly chymotrypsin and trypsin. It has shown promising activity against various cancer cell lines, making it a candidate for drug development. The unique structure and activity of Micropeptin EI-964 make it a promising lead compound for the development of novel serine protease inhibitors and anti-cancer drugs. Computational Chemistry and Molecular Modeling techniques can provide valuable insights into the chemical reactivity and pharmaceutical properties of Micropeptin EI-964, guiding the design and development of new compounds with enhanced bioactivity and improved drug-like properties.
文摘MK-1 molecule(C_(16)H_(16)O_(2)),the simplest structure of vitamin K(VK)compound family,is an extract from traditional Chinese medicine Cymbopogon distans(Nees ex Steud.)Wats(Chinese name YunXiangCao),which has attracted a great deal of attention in recent years due to its antiasthmatic,antitussives and expectorant effects.To investigate the molecular structure and chemical reactivity of MK-1 molecule,computational investigations on six conformational minima structures were carried out at the MP2/6-311++G(2d,2p)level of theory.Several local reactivity descriptors including condensed Fukui function,average local ionization energy,and molecular electrostatic potential on each individual atom were determined to predict the intrinsic reactivity of MK-1 molecule.
基金Project (50864001) supported by the National Natural Science Foundation of China
文摘The electronic property of pyrite supercell containing As,Se,Te,Co or Ni hetero atoms were calculated using density functional theory(DFT),and the reactivities of pyrite with oxygen and xanthate were discussed by frontier orbital methods.The cell volume expands due to the presence of impurity.Co and Ni mainly affect the bands near Fermi levels,while As mainly affects the shallow and deep valence bands,and Se and Te mainly affect the deep valence bands.Electronic density analysis suggests that there exists a strong covalent interaction between hetero atom and its surrounding atoms.By frontier orbital calculation,it is suggested that As,Co and Ni have greater influence on the HOMO and LUMO of pyrite than Se and Te.In addition,pyrite containing As,Co or Ni is easier to oxidize by oxygen than pyrite containing Se or Te,and pyrite containing Co or Ni has greater interaction with collector.These are in agreement with the observed pyrite practice.
基金Project(51374253)supported by the National Natural Science Foundation of China
文摘Effect of sulfur impurity on coke reactivity was investigated by simulating petroleum coke with low-impurity pitch coke and impurities doping. And its mechanism was discussed by X-ray diffraction (XRD), scanning electron microscopy (SEM) and energy dispersive spectrometer (EDS). The results show that sulfur has strong catalysis on both air and CO2 reactivity of coke in the case of no other impurity interference. Its catalysis is probably realized by triggering organic sulfur→H2S→SO2→COS and elemental sulfur (Sx)→SO2 and organic sulfur→H2S→COS→Sx→C2S→COS reaction systems during coke?O2 and coke?CO2 reactions, respectively, which are partly circular with functions of increasing carbon consumption and enlarging coke specific surface area.
基金supported by the National Natural Science Foundation of China (21573232, 21576251, 21676269)National Key Projects for Funda-mental Research and Development of China (2016YFA0202801)Department of Science and Technology of Liaoning province under contract of 2015020086–101~~
文摘The formations and transformations of the chemical bonds of reactants and intermediates on cata- lyst surfaces occur in conjunction with the evolution of heat during catalytic reactions. Measure- ment of this evolved heat is helpful in terms of understanding the nature of the interactions be- tween the catalyst and the adsorbed species, and provides insights into the reactivity of the catalyst. Although various techniques have previously been applied to assessments of evolved heat, direct measurements using a Tian-Calvet microcalorimeter are currently the most reliable method for this purpose. In this review, we summarize the relationship between the adsorption/reaction energetics determined by microcalorimetry and the reactivities of supported catalysts, and examine the im- portant role of microcalorimetry in understanding catalytic performance from the energetic point of view.
基金the Science Fund for Distinguished Young Scholars from the Fourth Affi liated Hospital of Harbin Medical University(no.HYDSYJQ201504)The funders had no role in the study design,data collection and analysis,decision to publish,or preparation of the manuscriptThe clinical trial is registered as ChiCTR-IOR-17013665。
文摘Objectives:We sought to determine whether high posttreatment platelet reactivity(HPPR)to a 600 mg loading dose of clopidogrel affects outcomes in Chinese patients with acute coronary syndrome(ACS)following percutaneous coronary intervention(PCI)and to investigate whether there is a relationship between the number of platelet reactivity units(PRUs)and the characteristics of the patients.Background:Although impaired platelet response to clopidogrel is a strong predictor of unfavorable outcome after PCI,the impact of HPPR to a 600 mg loading dose of clopidogrel in Chinese patients with ACS undergoing PCI is still unknown.Methods:We performed observational research on 134 unselected patients with ACS undergoing urgent or planned PCI with a 600 mg loading dose of clopidogrel.Platelet activation was expressed as the PRU value measured by the VerifyNow assay.Results:Among the 134 patients(mean age 60.62 years[standard deviation 9.13 years],60.4%male),there were 46 patients with HPPR(34.3%)and 88 patients without HPPR(65.7%).At a mean follow-up of 6 months(standard deviation 1 month),the rates of cardiac death,unstable angina,and rehospitalization for target lesion revascularization were higher in the HPPR group(19.6%vs.6.8%,P=0.029).Multivariate analysis identifi ed hemoglobin level and sex as independent predictors of the PRU value(y=456.355−1.736 x 1−31.880 x 2,P<0.05).On receiver operating characteristic curve analysis,PRU values could signifi cantly discriminate between patients with and patients without cardiac death,unstable angina,and rehospitalization for target lesion revascularization(area under the curve 0.758,95%confi dence interval 0.62–0.85,P=0.001,P<0.05).Conclusion:In patients with ACS,HPPR to a 600 mg loading dose of clopidogrel is associated with worse outcomes after PCI.There is some relationship between the PRU value and the hemoglobin level and sex.PRU values can predict the prognosis.
文摘The paper describes the instrumentation for studying temperature and void reactivity effects that were developed at VR-I zero power reactor. Further are described its operational parameters, fields and ways of its utilization as well as issues connected to its implementation into the reactor core.
文摘Antiplatelet therapy with aspirin or clopidogrel or both is the standard care for patients with proven coronary or peripheral arterial disease,especially those undergoing endovascular revascularization procedures. However,despite the administration of the antiplatelet regiments,some patients still experience recurrent cardiovascular ischemic events. So far,it is well documented by several studies that in vitro response of platelets may be extremely variable. Poor antiplatelet effect of clopidogrel or high on-treatment platelet reactivity(HTPR) is under investigation by numerous recent studies. This review article focuses on methods used for the ex vivo evaluation of HTPR,as well as on the possible underlying mechanisms and the clinical consequences of this entity. Alternative therapeutic options and future directions are also addressed.
基金National Natural Science Foundation of China(No.40575059 and No.20637001).
文摘Ambient volatile organic compounds (VOCs) were sampled at six sites in Beijing in the summer of 2004 and analyzed by GCMS. The chemical reactivities of 73 quantified VOCs species were evaluated by OH loss rates (LOH) and ozone formation potentials (OFPs). Top 15 reactive species, mainly alkenes and aromatics, were identified by these two methods, and accounted for more than 70% of total reactivity of VOCs. In urban areas, isoprene was the most reactive species in term of OH loss rate, contributing 11.4% to the LOH of VOCs. While toluene, accounting for 9.4% of OFPs, appeared to have a long-time role in the photochemical processes. Tongzhou site is obviously influenced by local chemical industry, but the other five sites showed typical urban features influenced mainly by vehicular emissions.