Chemical warfare agents(CWAs)remain a persistent hazard in many parts of the world,necessitating a deeper exploration of their chemical and physical characteristics and reactions under diverse conditions.Diisopropyl m...Chemical warfare agents(CWAs)remain a persistent hazard in many parts of the world,necessitating a deeper exploration of their chemical and physical characteristics and reactions under diverse conditions.Diisopropyl methylphosphonate(DIMP),a commonly used CWA surrogate,is widely studied to enhance our understanding of CWA behavior.The prevailing thermal decomposition model for DIMP,developed approximately 25 years ago,is based on data collected in nitrogen atmospheres at temperatures ranging from 700 K to 800 K.Despite its limitations,this model continues to serve as a foundation for research across various thermal and reactive environments,including combustion studies.Our recent experiments have extended the scope of decomposition analysis by examining DIMP in both nitrogen and zero air across a lower temperature range of 175℃ to 250℃.Infrared spectroscopy results under nitrogen align well with the established model;however,we observed that catalytic effects,stemming from decomposition byproducts and interactions with stainless steel surfaces,alter the reaction kinetics.In zero air environments,we observed a novel infrared absorption band.Spectral fitting suggests this band may represent a combination of propanal and acetone,while GCMS analysis points to vinyl formate and acetone as possible constituents.Although the precise identity of these new products remains unresolved,our findings clearly indicate that the existing decomposition model cannot be reliably extended to lower temperatures or non-nitrogen environments without further revisions.展开更多
Polymer-modified bentonite(PMB)is much more effective at containing chemically aggressive liquids than conventional bentonite.The PMB manufacturing process typically utilizes natural,high-quality sodium bentonite(NaB)...Polymer-modified bentonite(PMB)is much more effective at containing chemically aggressive liquids than conventional bentonite.The PMB manufacturing process typically utilizes natural,high-quality sodium bentonite(NaB)owing to its excellent hydrophilicity and swelling capacity.However,calcium bentonite(CaB),which is much more abundant worldwide,is rarely used for containment applications owing to its poor hydrophilicity.This study proposed a polymerization method that transforms sodium-activated calcium bentonite(NCB)into PMB to achieve low hydraulic conductivity(k)to aggressive liquids.The mechanism for its low k was revealed through characterization techniques and analyses(e.g.X-ray diffraction(XRD),Fourier transform infrared spectroscopy(FTIR),scanning electron microscopy(SEM),and Brunauer-Emmett-Teller(BET)).The results showed that the PMB had a small amount of polymer elution(indicating better interface stability)and thus exhibited excellent barrier properties under chemically aggressive conditions,with the k of<10^(-11) m/s for 0.6 mol/L NaCl solution,which is four orders of magnitude lower than that of the NCB(k=3×10^(-7) m/s).Various microscopic analyses indicated that the selected monomers were successfully polymerized,and intercalated into and grafted onto the montmorillonite layers of bentonite.The formed polymer network increased the swelling capability of PMB granules,decreased the pore size,and created narrow and tortuous flow pathways leading to a very low k to aggressive liquids.展开更多
Space exploration and manufacturing are of critical importance for scientific advancement,technological innovation,national security,and the acquisition of extraterrestrial resources.In view of this,chemical and biolo...Space exploration and manufacturing are of critical importance for scientific advancement,technological innovation,national security,and the acquisition of extraterrestrial resources.In view of this,chemical and biological nano-/micro-/meso-scale manufacturing provide complementary approaches to overcome key space exploration challenges by enabling the in-situ production of essential life-support materials,propellants,and other resources.This review examines the origin and historical evolution of space manufacturing and the latest advances across different environments—from orbital space stations and the lunar surface to Mars and asteroids.It is structured to present the current state of research,outline key manufacturing strategies and technologies,assess the technical and environmental challenges,and discuss emerging trends and future directions.Besides,the potential applications of emerging technologies such as synthetic biology and artificial intelligence in overcoming the limitations of microgravity,limited resources,and extreme conditions are discussed.Ultimately,this integrative review could serve to guide future development,from advancing space science and disruptive manufacturing to enabling interdisciplinary and application-level innovations.展开更多
Groundwater is a key part of the terrestrial ecosystem,but it is vulnerable to pollution in the context of chemical industry development.Treating contaminated groundwater is challenging due to its stable water quality...Groundwater is a key part of the terrestrial ecosystem,but it is vulnerable to pollution in the context of chemical industry development.Treating contaminated groundwater is challenging due to its stable water quality,hidden contamination,and complex treatment requirements.Current research focuses on advanced treatment technologies,among which the advanced oxidation process(AOPs) of peroxomonosulfate(PMS) has great potential.Although there are many reviews of PMS-based AOP,most of them focus on surface water.This review aims to explore the activation reaction of PMS to groundwater by in-situ chemical oxidation(ISCO) technology,further study the reaction mechanism,compare the treatment effect of characteristic pollutants in the groundwater of the chemical industry park,propose new activation methods and catalyst selection,and provide guidance for future groundwater treatment research.展开更多
The development of intrinsically conductive piezoresistive sensors with high strain tolerance has garnered significant interest.While elastomeric polymers exhibit excellent strain capabilities,their utility in sensing...The development of intrinsically conductive piezoresistive sensors with high strain tolerance has garnered significant interest.While elastomeric polymers exhibit excellent strain capabilities,their utility in sensing applications has been limited by inherent challenges such as high electrical resistivity,poor aging resistance,and interfacial incompatibility.To address these limitations,hydroxyl-terminated polybutadiene(HTPB)-based polyurethane was chemically modified with acetylferrocene-polyaniline conductive moieties to enhance charge transport properties.Remarkably,this covalent functionalization endowed the resulting ferrocene-polyaniline hybrid polyurethane(FPHP)with a conductivity of2.33 n A at 1 V bias while preserving piezoresistive functionality.The FPHP demonstrated exceptional mechanical-electrical performance,achieving 254% elongation at break with strain-dependent gauge factors of 7.28(0%-12.5% strain,R^(2)=0.9504)and 19.66(12.5%-35.0% strain,R^(2)=0.9929).Further characterization revealed a rapid 0.60 s response time and stability over 3500 strain-release cycles at compression strain,underscoring its durability under repetitive loading.The FPHP sensor was capable of monitoring various human movements and recognizing writing signals.These advances establish a materials design paradigm for fabricating flexible sensors that synergistically integrate high deformability,tunable sensitivity,and robust operational stability,positioning FPHP as a promising candidate for next-generation wearable electronics and soft robotics.展开更多
Conventional error cancellation approaches separate molecules into smaller fragments and sum the errors of all fragments to counteract the overall computational error of the parent molecules.However,these approaches m...Conventional error cancellation approaches separate molecules into smaller fragments and sum the errors of all fragments to counteract the overall computational error of the parent molecules.However,these approaches may be ineffective for systems with strong localized chemical effects,as fragmenting specific substructures into simpler chemical bonds can introduce additional errors instead of mitigating them.To address this issue,we propose the Substructure-Preserved Connection-Based Hierarchy(SCBH),a method that automatically identifies and freezes substructures with significant local chemical effects prior to molecular fragmentation.The SCBH is validated by the gas-phase enthalpy of formation calculation of CHNO molecules.Therein,based on the atomization scheme,the reference and test values are derived at the levels of Gaussian-4(G4)and M062X/6-31+G(2df,p),respectively.Compared to commonly used approaches,SCBH reduces the average computational error by half and requires only15%of the computational cost of G4 to achieve comparable accuracy.Since different types of local effect structures have differentiated influences on gas-phase enthalpy of formation,substituents with strong electronic effects should be retained preferentially.SCBH can be readily extended to diverse classes of organic compounds.Its workflow and source code allow flexible customization of molecular moieties,including azide,carboxyl,trinitromethyl,phenyl,and others.This strategy facilitates accurate,rapid,and automated computations and corrections,making it well-suited for high-throughput molecular screening and dataset construction for gas-phase enthalpy of formation.展开更多
Hanyu Xu 1,Xuedan Song 1,*,Qing Zhang 1,Chang Yu 1,Jieshan Qiu 1,2,*1 Liaoning Key Lab for Energy Materials and Chemical Engineering,State Key Laboratory of Fine Chemicals,School of Chemical Engineering,Dalian Univers...Hanyu Xu 1,Xuedan Song 1,*,Qing Zhang 1,Chang Yu 1,Jieshan Qiu 1,2,*1 Liaoning Key Lab for Energy Materials and Chemical Engineering,State Key Laboratory of Fine Chemicals,School of Chemical Engineering,Dalian University of Technology,Dalian 116024,Liaoning Province,China.展开更多
Molecular dynamics simulations were carried out to study the effect of chemical short-range order(CSRO)on the primary radiation damage in TiVTaNb high-entropy alloys(HEAs).We have performed displacement cascade simula...Molecular dynamics simulations were carried out to study the effect of chemical short-range order(CSRO)on the primary radiation damage in TiVTaNb high-entropy alloys(HEAs).We have performed displacement cascade simulations to explore the CSRO effect on the generation and evolution behaviors of irradiation defects.The results demonstrate that CSRO can suppress the formation of Frenkel pairs in TiVTaNb HEAs,with the suppression effect becoming more pronounced as the degree of CSRO increases.CSRO can change the types of interstitial defects generated during cascade collisions.Specifically,as the degree of CSRO increases,the proportion of Ti-related interstitials shows a marked enhancement,primarily evidenced by a significant rise in Ti–Ti dumbbells accompanied by a corresponding decrease in Ti–V dumbbells.CSRO exhibits negligible influence on defect clustering and the nucleation and evolution of dislocation loops.Regardless of CSRO conditions,TiVTaNb HEAs preserve exceptional radiation tolerance throughout the cascade damage process,suggesting that the intrinsic properties of this multi-principal element system dominate its radiation response.These findings provide fundamental insights into the CSRO effect on defect formation and evolution behaviors in HEAs,which may provide new design strategies for high-entropy alloys.展开更多
Panax notoginseng(P.notoginseng),a valuable traditional Chinese medicine,is the dried root of plants in Acanthopanax gracilistylus family,with the effect of dispersing blood stasis,eliminating swelling and relieving p...Panax notoginseng(P.notoginseng),a valuable traditional Chinese medicine,is the dried root of plants in Acanthopanax gracilistylus family,with the effect of dispersing blood stasis,eliminating swelling and relieving pain.With the development of modern medicine,the active ingredients and mechanisms of P.notoginseng have been gradually revealed.The present paper systematically reviews the chemical composition and biological activities of P.nologinseng,to provide a scientific basis and reference for detailed research on P.nologinseng.展开更多
The dried fruit of Forsythia suspensa(Oleaceae),also known as Forsythia,is a traditional Chinese medicinal herb known for its heat-clearing and detoxifying properties.It is used to disperse nodules,reduce swelling,rem...The dried fruit of Forsythia suspensa(Oleaceae),also known as Forsythia,is a traditional Chinese medicinal herb known for its heat-clearing and detoxifying properties.It is used to disperse nodules,reduce swelling,remove toxins,clear heat,and alleviate wind-heat syndromes.It also has hepatoprotective,anti-inflammatory,antiviral,antibacterial,anticancer,antioxidant,antiaging,and anti-obesity effects,as well as potential therapeutic effects on Alzheimer’s disease and diabetic nephropathy.It is used to treat scrofula,mastitis,wind-heat common cold,and other ailments.The review summarizes the chemical constituents and pharmacological effects of F.suspensa,aiming to provide a scientific foundation for its future development,research,and clinical utilization.展开更多
Chemical exchange saturation transfer magnetic resonance imaging is an advanced imaging technique that enables the detection of compounds at low concentrations with high sensitivity and spatial resolution and has been...Chemical exchange saturation transfer magnetic resonance imaging is an advanced imaging technique that enables the detection of compounds at low concentrations with high sensitivity and spatial resolution and has been extensively studied for diagnosing malignancy and stroke.In recent years,the emerging exploration of chemical exchange saturation transfer magnetic resonance imaging for detecting pathological changes in neurodegenerative diseases has opened up new possibilities for early detection and repetitive scans without ionizing radiation.This review serves as an overview of chemical exchange saturation transfer magnetic resonance imaging with detailed information on contrast mechanisms and processing methods and summarizes recent developments in both clinical and preclinical studies of chemical exchange saturation transfer magnetic resonance imaging for Alzheimer’s disease,Parkinson’s disease,multiple sclerosis,and Huntington’s disease.A comprehensive literature search was conducted using databases such as PubMed and Google Scholar,focusing on peer-reviewed articles from the past 15 years relevant to clinical and preclinical applications.The findings suggest that chemical exchange saturation transfer magnetic resonance imaging has the potential to detect molecular changes and altered metabolism,which may aid in early diagnosis and assessment of the severity of neurodegenerative diseases.Although promising results have been observed in selected clinical and preclinical trials,further validations are needed to evaluate their clinical value.When combined with other imaging modalities and advanced analytical methods,chemical exchange saturation transfer magnetic resonance imaging shows potential as an in vivo biomarker,enhancing the understanding of neuropathological mechanisms in neurodegenerative diseases.展开更多
Optically pure chiral chemicals are important building blocks with widespread applications across mul-tiple scientific and industrial do-mains such as in pharmaceuticals,agrochemicals,and food,especially acting as pre...Optically pure chiral chemicals are important building blocks with widespread applications across mul-tiple scientific and industrial do-mains such as in pharmaceuticals,agrochemicals,and food,especially acting as precursors to synthesize biodegradable polymers.As an al-ternative to fossil resources,renew-able lignocellulosic biomass has been used to access chiral chemicals,due to the versatile inherent stere-ostructures and multiple functional groups,such as hydroxyl,carbonyl,and phenyl ether groups.Typically,as the two main units of(hemi)cel-lulose components in lignocellulosic biomass,D-xylose and D-glucose bear multiple chiral centers(e.g.,2R-3S-4R for D-xylose and 2R-3S-4R-5R for D-glucose).Lignin bearsβ-O-4 linkages,exhibiting(R,S/S,R)or(R,R/S,S)stereocenters at the side-chainαandβcarbon atoms.The valorization of biomass into optical-ly pure chiral chemicals is vital for developing a more sustainable future.This review discuss-es the production of typical chiral chemicals derived from biomass through chemocatalysis,including lactones(e.g.,R/S-valerolactone),carboxylic acids(e.g.,D/L-glyceric acid,D/L-lactic acid),polyols(e.g.,tetrose),furans,oligosaccharides,and others.Two strategies are generally employed.One approach involves first producing achiral platform chemicals from biomass,followed by the introduction of asymmetric catalysts to reconstruct stereocenters.The second relates to selectively preserving one or more inherent stereocenters in the natural biomass structure during complex cascade reactions in which biomass feedstock acts as a“chi-ral pool",thus eliminating the establishment of stereocenter.The feedstock,methods em-ployed,and enantioselectivity and applications of the target chiral chemicals are discussed.Despite these advances,the synthesis of optically pure chemicals from biomass is still in its in-fancy.The coming decade presents both extraordinary challenges and opportunities in biomass-derived chiral chemistry.Future research should be focused on:(1)integrating well-established asymmetric catalysis techniques and methods with biomass’s inherent chiral pools,presenting an unprecedented opportunity to expand the chemical space of sustainable chiral compounds;(2)mastering polyfunctional complexity of chiral chemicals through holis-tic utilization of biomass’multichiral centers;(3)unlocking lignin’s stereochemical treasury that represents the next frontier in biomass valorization.展开更多
Lithium metal batteries(LMBs)have been regarded as one of the most promising alternatives in the post-lithium battery era due to their high energy density,which meets the needs of light-weight electronic devices and l...Lithium metal batteries(LMBs)have been regarded as one of the most promising alternatives in the post-lithium battery era due to their high energy density,which meets the needs of light-weight electronic devices and long-range electric vehicles.However,technical barriers such as dendrite growth and poor Li plating/stripping reversibility severely hinder the practical application of LMBs.However,lithium nitrate(LiNO_(3))is found to be able to stabilize the Li/electrolyte interface and has been used to address the above challenges.To date,considerable research efforts have been devoted toward understanding the roles of LiNO_(3) in regulating the surface properties of Li anodes and toward the development of many effective strategies.These research efforts are partially mentioned in some articles on LMBs and yet have not been reviewed systematically.To fill this gap,we discuss the recent advances in fundamental and technological research on LiNO_(3) and its derivatives for improving the performances of LMBs,particularly for Li-sulfur(S),Li-oxygen(O),and Li-Li-containing transition-metal oxide(LTMO)batteries,as well as LiNO_(3)-containing recipes for precursors in battery materials and interphase fabrication.This review pays attention to the effects of LiNO_(3) in lithium-based batteries,aiming to provide scientific guidance for the optimization of electrode/electrolyte interfaces and enrich the design of advanced LMBs.展开更多
The continuous consumption of fossil fuels causes two important impediments including emission of large concentrations of CO2 resulting in global warming and alarming utilization of energy assets.The conversion of gre...The continuous consumption of fossil fuels causes two important impediments including emission of large concentrations of CO2 resulting in global warming and alarming utilization of energy assets.The conversion of greenhouse gas CO2 into solar fuels can be an expedient accomplishment for the solution of both problems,all together.CO2 reutilization into valuable fuels and chemicals is a great challenge of the current century.Owing to limitations in traditional approaches,there have been developed many novel technologies such as photochemical,biochemical,electrochemical,plasma-chemical and solar thermochemical.They are currently being used for CO2 capture,sequestration,and utilization to transform CO2 into valuable products such as syngas,methane,methanol,formic acid,as well as fossil fuel consumption reduction.This review summarizes different traditional and novel thermal technologies used in CO2 conversion with detailed information about their working principle,types,currently adopted methods,developments,conversion rates,products formed,catalysts and operating conditions.Moreover,a comparison of these novel technologies in terms of distinctive key features such as conversion rate,yield,use of earth metals,renewable energy,investment,and operating cost has been provided in order to have a useful review for future research direction.展开更多
In fulfillment of the national science-and-technology development agenda, the Department of Chemical Sciences of the National Natural Science Foundation of China (NSFC) convened the Strategic Symposium on the Fifteent...In fulfillment of the national science-and-technology development agenda, the Department of Chemical Sciences of the National Natural Science Foundation of China (NSFC) convened the Strategic Symposium on the Fifteenth FiveYear (20262030) Development Plan for Electrochemistry held in Xiamen on 29 August, 2025-the culminating year of the Fourteenth Five-Year (2021-2025) Development Plan. More than forty leading experts in the field of electrochemistry participated with spanning nine thematic fronts: Interfacial Electrocatalysis, Interfacial Electrochemistry for Energy Storage, Bioelectrochemistry, Electrochemistry of Hydrogen Energy, Electrochemical Micro-/Nano-Manufacturing, Operando Electrochemical Characterization, Electro-Thermal Coupling Catalysis, Theoretical and Computational Electrochemistry,and Electrochemical Synthesis. The forum assembled China's foremost electrochemical expertise to blueprint high-quality disciplinary growth for the coming five-year period, thereby serving overarching national strategic needs and sharpening the international competitiveness of Chinese electrochemistry.This paper is presented to highlight the strategic needs and priority areas for the next five years (2026-2030) based on this symposium. The development status of basic research and applied basic research in China's electrochemistry field is systematically reviewed. The in-depth analyses of the existing problems and key challenges in the research and development of electrochemistry related fields are outlined, and the frontier research areas and development trends in the next 5-10 years by integrating national major strategic needs are discussed, which will further promote the academic community to reach a clearer consensus. The proposed strategic roadmap is intended to accelerate a sharpened community consensus, propel the discipline toward high-quality advancement, and furnish a critical reference for building China into a world-leading science and technology power.展开更多
The International Maritime Organization(IMO)aims to reduce shipping greenhouse gas emissions by 70%by 2050,positioning onboard carbon capture(OCC)systems as essential tools,with chemical absorption being particularly ...The International Maritime Organization(IMO)aims to reduce shipping greenhouse gas emissions by 70%by 2050,positioning onboard carbon capture(OCC)systems as essential tools,with chemical absorption being particularly favorable due to its retrofit viability.This review analyzes advancements in chemical absorption technologies specific to shipborne applications,focusing on absorbent development,absorption tower optimization,and system integration.This article begins with an overview of OCC principles and advantages,followed by a discussion of technological progress,including feasibility studies and project outcomes.It explores various chemical absorbents,assessing performance,degradation,and emissions.The structural configurations of absorption towers and their modeling techniques are examined,alongside challenges such as limited vessel space,energy constraints,and gas-liquid distribution inefficiencies.Future directions emphasize the need for innovative absorbent designs,advanced simulation for tower optimization,and enhanced integration with ship energy systems,including renewable energy and waste heat recovery.The potential for intelligent technologies to enable real-time monitoring and automated management of carbon capture systems is highlighted.Finally,further investigations into fundamental interfaces and reaction kinetics are essential for advancing shipborne carbon capture technologies,providing a crucial reference for researchers and practitioners in the field.展开更多
About us:The College of Chemistry and Materials Engineering(CME)in Wenzhou University(Zhejiang Province,China)is looking for postdoctoral candidates(up to 25)specialized in Chemistry,Chemical Engineering and Materials...About us:The College of Chemistry and Materials Engineering(CME)in Wenzhou University(Zhejiang Province,China)is looking for postdoctoral candidates(up to 25)specialized in Chemistry,Chemical Engineering and Materials Science.The college has its Chemistry program ranking ESI Top 6%o worldwide,and Materials Science program ranking 589th in the world since2023.The college has led publications appearing in journals such as Nat.Catal.,Nat.Commun.,Sci.Adv.,J.Am.Chem.Soc.,Angew.Chem.展开更多
Agrochemicals,especially plant growth regulators(PGRs),are extensively used to modulate endogenous phytohormone signals in small quantities,significantly infiuencing plant growth and development.Plant hormones typical...Agrochemicals,especially plant growth regulators(PGRs),are extensively used to modulate endogenous phytohormone signals in small quantities,significantly infiuencing plant growth and development.Plant hormones typically exhibit diverse chemical structures,with common examples including indole rings,terpenoid frameworks,adenine motifs,cyclic lactones,cyclopentanones,and steroidal compounds,which are extensively employed in pesticides.This article explores the interactions and biological activities of small molecules on proteins,enzymes,and other reactive sites involved in the biosynthesis,metabolism,transport,and signal transduction pathways of various plant hormones.Additionally,it analyzes the structure-activity relationships(SARs)of pesticides incorporating these structural motifs to elucidate the relationship between active fragments,pharmacophores,and targets,highlighting the characteristics of potent small molecules and their derivatives.This comprehensive review aims to provide novel perspectives for the development and design of pesticides,offering valuable insights for researchers in the field.展开更多
Geochemical reactions play a vital role in determining the efficiency of carbon capture,utilization,and storage combined with enhanced oil recovery(CCUS-EOR),particularly through their influence on reservoir propertie...Geochemical reactions play a vital role in determining the efficiency of carbon capture,utilization,and storage combined with enhanced oil recovery(CCUS-EOR),particularly through their influence on reservoir properties.To deepen the understanding of these mechanisms,this review investigates the interactions among injected CO_(2),formation fluids,and rock minerals and evaluates their implications for CCUS-EOR performance.The main results are summarized as follows.First,temperature,pressure,pH,and fluid composition are identified as key factors influencing mineral dissolution and precipitation,which in turn affect porosity,permeability,and CO_(2) storage.Second,carbonate minerals,such as calcite and dolomite,show high reactivity under lower temperature conditions,enhancing dissolution and permeability,while silicate minerals,including illite,kaolinite,quartz,and K-feldspar,are comparatively inert.Third,the formation of carbonic acid during CO_(2) injection promotes dissolution,whereas secondary precipitation,especially of clay minerals,can reduce pore connectivity and limit flow paths.Fourth,mineral transformation and salt precipitation can further modify reservoir characteristics,influencing both oil recovery and long-term CO_(2) trapping.Fifth,advanced experimental tools,such as Computed Tomography(CT)and Nuclear Magnetic Resonance(NMR)imaging,combined with geochemical modeling and reservoir simulation,are essential to predict petrophysical changes across scales.This review provides a theoretical foundation for integrating geochemical processes into CCUS-EOR design,offering technical support for field application and guiding sustainable CO_(2) management in oil reservoirs.展开更多
In this article the affiliation of Jin-Ke Shen,Nai-Teng Wu,Li-Yuan Wang,Gang Jiang,Jin Li,Gui-Long Liu,Xian-Ming Liu were incorrectly given as:State Key Laboratory of Chemistry and Utilization of Carbon Based Energy R...In this article the affiliation of Jin-Ke Shen,Nai-Teng Wu,Li-Yuan Wang,Gang Jiang,Jin Li,Gui-Long Liu,Xian-Ming Liu were incorrectly given as:State Key Laboratory of Chemistry and Utilization of Carbon Based Energy Resources,School of Chemical Engineering and Technology,Xinjiang University,Urumqi 830046,China.展开更多
基金sponsored by the Department of Defense,Defense Threat Reduction Agency under the Materials Science in Extreme Environments University Research Alliance,HDTRA1-20-2-0001。
文摘Chemical warfare agents(CWAs)remain a persistent hazard in many parts of the world,necessitating a deeper exploration of their chemical and physical characteristics and reactions under diverse conditions.Diisopropyl methylphosphonate(DIMP),a commonly used CWA surrogate,is widely studied to enhance our understanding of CWA behavior.The prevailing thermal decomposition model for DIMP,developed approximately 25 years ago,is based on data collected in nitrogen atmospheres at temperatures ranging from 700 K to 800 K.Despite its limitations,this model continues to serve as a foundation for research across various thermal and reactive environments,including combustion studies.Our recent experiments have extended the scope of decomposition analysis by examining DIMP in both nitrogen and zero air across a lower temperature range of 175℃ to 250℃.Infrared spectroscopy results under nitrogen align well with the established model;however,we observed that catalytic effects,stemming from decomposition byproducts and interactions with stainless steel surfaces,alter the reaction kinetics.In zero air environments,we observed a novel infrared absorption band.Spectral fitting suggests this band may represent a combination of propanal and acetone,while GCMS analysis points to vinyl formate and acetone as possible constituents.Although the precise identity of these new products remains unresolved,our findings clearly indicate that the existing decomposition model cannot be reliably extended to lower temperatures or non-nitrogen environments without further revisions.
基金supported by the National Natural Science Foundation of China(Grant Nos.52478351,52208329)the Shenzhen Science and Technology Innovation Commission(Grant No.JCYJ20240813143306009)support is gratefully acknowledged.
文摘Polymer-modified bentonite(PMB)is much more effective at containing chemically aggressive liquids than conventional bentonite.The PMB manufacturing process typically utilizes natural,high-quality sodium bentonite(NaB)owing to its excellent hydrophilicity and swelling capacity.However,calcium bentonite(CaB),which is much more abundant worldwide,is rarely used for containment applications owing to its poor hydrophilicity.This study proposed a polymerization method that transforms sodium-activated calcium bentonite(NCB)into PMB to achieve low hydraulic conductivity(k)to aggressive liquids.The mechanism for its low k was revealed through characterization techniques and analyses(e.g.X-ray diffraction(XRD),Fourier transform infrared spectroscopy(FTIR),scanning electron microscopy(SEM),and Brunauer-Emmett-Teller(BET)).The results showed that the PMB had a small amount of polymer elution(indicating better interface stability)and thus exhibited excellent barrier properties under chemically aggressive conditions,with the k of<10^(-11) m/s for 0.6 mol/L NaCl solution,which is four orders of magnitude lower than that of the NCB(k=3×10^(-7) m/s).Various microscopic analyses indicated that the selected monomers were successfully polymerized,and intercalated into and grafted onto the montmorillonite layers of bentonite.The formed polymer network increased the swelling capability of PMB granules,decreased the pore size,and created narrow and tortuous flow pathways leading to a very low k to aggressive liquids.
基金supported by National Natural Science Foundation of China(22278241)a grant from the Institute Guo Qiang,Tsinghua University(2021GQG1016).
文摘Space exploration and manufacturing are of critical importance for scientific advancement,technological innovation,national security,and the acquisition of extraterrestrial resources.In view of this,chemical and biological nano-/micro-/meso-scale manufacturing provide complementary approaches to overcome key space exploration challenges by enabling the in-situ production of essential life-support materials,propellants,and other resources.This review examines the origin and historical evolution of space manufacturing and the latest advances across different environments—from orbital space stations and the lunar surface to Mars and asteroids.It is structured to present the current state of research,outline key manufacturing strategies and technologies,assess the technical and environmental challenges,and discuss emerging trends and future directions.Besides,the potential applications of emerging technologies such as synthetic biology and artificial intelligence in overcoming the limitations of microgravity,limited resources,and extreme conditions are discussed.Ultimately,this integrative review could serve to guide future development,from advancing space science and disruptive manufacturing to enabling interdisciplinary and application-level innovations.
基金supported by the National Key Research and Development Program of China (No.2023YFC3708005)the National Natural Science Foundation of China (Nos.21872102,22172080)the Fundamental Research Funds for the Central Universities (Nankai University,No.63241208)。
文摘Groundwater is a key part of the terrestrial ecosystem,but it is vulnerable to pollution in the context of chemical industry development.Treating contaminated groundwater is challenging due to its stable water quality,hidden contamination,and complex treatment requirements.Current research focuses on advanced treatment technologies,among which the advanced oxidation process(AOPs) of peroxomonosulfate(PMS) has great potential.Although there are many reviews of PMS-based AOP,most of them focus on surface water.This review aims to explore the activation reaction of PMS to groundwater by in-situ chemical oxidation(ISCO) technology,further study the reaction mechanism,compare the treatment effect of characteristic pollutants in the groundwater of the chemical industry park,propose new activation methods and catalyst selection,and provide guidance for future groundwater treatment research.
文摘The development of intrinsically conductive piezoresistive sensors with high strain tolerance has garnered significant interest.While elastomeric polymers exhibit excellent strain capabilities,their utility in sensing applications has been limited by inherent challenges such as high electrical resistivity,poor aging resistance,and interfacial incompatibility.To address these limitations,hydroxyl-terminated polybutadiene(HTPB)-based polyurethane was chemically modified with acetylferrocene-polyaniline conductive moieties to enhance charge transport properties.Remarkably,this covalent functionalization endowed the resulting ferrocene-polyaniline hybrid polyurethane(FPHP)with a conductivity of2.33 n A at 1 V bias while preserving piezoresistive functionality.The FPHP demonstrated exceptional mechanical-electrical performance,achieving 254% elongation at break with strain-dependent gauge factors of 7.28(0%-12.5% strain,R^(2)=0.9504)and 19.66(12.5%-35.0% strain,R^(2)=0.9929).Further characterization revealed a rapid 0.60 s response time and stability over 3500 strain-release cycles at compression strain,underscoring its durability under repetitive loading.The FPHP sensor was capable of monitoring various human movements and recognizing writing signals.These advances establish a materials design paradigm for fabricating flexible sensors that synergistically integrate high deformability,tunable sensitivity,and robust operational stability,positioning FPHP as a promising candidate for next-generation wearable electronics and soft robotics.
基金the support of the National Natural Science Foundation of China(22575230)。
文摘Conventional error cancellation approaches separate molecules into smaller fragments and sum the errors of all fragments to counteract the overall computational error of the parent molecules.However,these approaches may be ineffective for systems with strong localized chemical effects,as fragmenting specific substructures into simpler chemical bonds can introduce additional errors instead of mitigating them.To address this issue,we propose the Substructure-Preserved Connection-Based Hierarchy(SCBH),a method that automatically identifies and freezes substructures with significant local chemical effects prior to molecular fragmentation.The SCBH is validated by the gas-phase enthalpy of formation calculation of CHNO molecules.Therein,based on the atomization scheme,the reference and test values are derived at the levels of Gaussian-4(G4)and M062X/6-31+G(2df,p),respectively.Compared to commonly used approaches,SCBH reduces the average computational error by half and requires only15%of the computational cost of G4 to achieve comparable accuracy.Since different types of local effect structures have differentiated influences on gas-phase enthalpy of formation,substituents with strong electronic effects should be retained preferentially.SCBH can be readily extended to diverse classes of organic compounds.Its workflow and source code allow flexible customization of molecular moieties,including azide,carboxyl,trinitromethyl,phenyl,and others.This strategy facilitates accurate,rapid,and automated computations and corrections,making it well-suited for high-throughput molecular screening and dataset construction for gas-phase enthalpy of formation.
文摘Hanyu Xu 1,Xuedan Song 1,*,Qing Zhang 1,Chang Yu 1,Jieshan Qiu 1,2,*1 Liaoning Key Lab for Energy Materials and Chemical Engineering,State Key Laboratory of Fine Chemicals,School of Chemical Engineering,Dalian University of Technology,Dalian 116024,Liaoning Province,China.
基金Project supported by the Youth Program of the National Natural Science Foundation of China(Grant No.12405324)the CNNC Science Fund for Talented Young Scholars(Grant No.24940)the CNNC Basic Science Fund(Grant No.24851)。
文摘Molecular dynamics simulations were carried out to study the effect of chemical short-range order(CSRO)on the primary radiation damage in TiVTaNb high-entropy alloys(HEAs).We have performed displacement cascade simulations to explore the CSRO effect on the generation and evolution behaviors of irradiation defects.The results demonstrate that CSRO can suppress the formation of Frenkel pairs in TiVTaNb HEAs,with the suppression effect becoming more pronounced as the degree of CSRO increases.CSRO can change the types of interstitial defects generated during cascade collisions.Specifically,as the degree of CSRO increases,the proportion of Ti-related interstitials shows a marked enhancement,primarily evidenced by a significant rise in Ti–Ti dumbbells accompanied by a corresponding decrease in Ti–V dumbbells.CSRO exhibits negligible influence on defect clustering and the nucleation and evolution of dislocation loops.Regardless of CSRO conditions,TiVTaNb HEAs preserve exceptional radiation tolerance throughout the cascade damage process,suggesting that the intrinsic properties of this multi-principal element system dominate its radiation response.These findings provide fundamental insights into the CSRO effect on defect formation and evolution behaviors in HEAs,which may provide new design strategies for high-entropy alloys.
文摘Panax notoginseng(P.notoginseng),a valuable traditional Chinese medicine,is the dried root of plants in Acanthopanax gracilistylus family,with the effect of dispersing blood stasis,eliminating swelling and relieving pain.With the development of modern medicine,the active ingredients and mechanisms of P.notoginseng have been gradually revealed.The present paper systematically reviews the chemical composition and biological activities of P.nologinseng,to provide a scientific basis and reference for detailed research on P.nologinseng.
文摘The dried fruit of Forsythia suspensa(Oleaceae),also known as Forsythia,is a traditional Chinese medicinal herb known for its heat-clearing and detoxifying properties.It is used to disperse nodules,reduce swelling,remove toxins,clear heat,and alleviate wind-heat syndromes.It also has hepatoprotective,anti-inflammatory,antiviral,antibacterial,anticancer,antioxidant,antiaging,and anti-obesity effects,as well as potential therapeutic effects on Alzheimer’s disease and diabetic nephropathy.It is used to treat scrofula,mastitis,wind-heat common cold,and other ailments.The review summarizes the chemical constituents and pharmacological effects of F.suspensa,aiming to provide a scientific foundation for its future development,research,and clinical utilization.
基金supported by The University of Hong Kong,China(109000487,109001694,204610401,and 204610519)National Natural Science Foundation of China(82402225)(to JH).
文摘Chemical exchange saturation transfer magnetic resonance imaging is an advanced imaging technique that enables the detection of compounds at low concentrations with high sensitivity and spatial resolution and has been extensively studied for diagnosing malignancy and stroke.In recent years,the emerging exploration of chemical exchange saturation transfer magnetic resonance imaging for detecting pathological changes in neurodegenerative diseases has opened up new possibilities for early detection and repetitive scans without ionizing radiation.This review serves as an overview of chemical exchange saturation transfer magnetic resonance imaging with detailed information on contrast mechanisms and processing methods and summarizes recent developments in both clinical and preclinical studies of chemical exchange saturation transfer magnetic resonance imaging for Alzheimer’s disease,Parkinson’s disease,multiple sclerosis,and Huntington’s disease.A comprehensive literature search was conducted using databases such as PubMed and Google Scholar,focusing on peer-reviewed articles from the past 15 years relevant to clinical and preclinical applications.The findings suggest that chemical exchange saturation transfer magnetic resonance imaging has the potential to detect molecular changes and altered metabolism,which may aid in early diagnosis and assessment of the severity of neurodegenerative diseases.Although promising results have been observed in selected clinical and preclinical trials,further validations are needed to evaluate their clinical value.When combined with other imaging modalities and advanced analytical methods,chemical exchange saturation transfer magnetic resonance imaging shows potential as an in vivo biomarker,enhancing the understanding of neuropathological mechanisms in neurodegenerative diseases.
基金supported by the National Natural Sci-ence Foundation of China(Nos.22478263,22308230)Natural Science Foundation of Sichuan(No.2024NSF-SC1134)+2 种基金China Postdoctoral Science Foundation(No.2024T170612)111 center(B17030)the Fun-damental Research Funds for the Central Universities.
文摘Optically pure chiral chemicals are important building blocks with widespread applications across mul-tiple scientific and industrial do-mains such as in pharmaceuticals,agrochemicals,and food,especially acting as precursors to synthesize biodegradable polymers.As an al-ternative to fossil resources,renew-able lignocellulosic biomass has been used to access chiral chemicals,due to the versatile inherent stere-ostructures and multiple functional groups,such as hydroxyl,carbonyl,and phenyl ether groups.Typically,as the two main units of(hemi)cel-lulose components in lignocellulosic biomass,D-xylose and D-glucose bear multiple chiral centers(e.g.,2R-3S-4R for D-xylose and 2R-3S-4R-5R for D-glucose).Lignin bearsβ-O-4 linkages,exhibiting(R,S/S,R)or(R,R/S,S)stereocenters at the side-chainαandβcarbon atoms.The valorization of biomass into optical-ly pure chiral chemicals is vital for developing a more sustainable future.This review discuss-es the production of typical chiral chemicals derived from biomass through chemocatalysis,including lactones(e.g.,R/S-valerolactone),carboxylic acids(e.g.,D/L-glyceric acid,D/L-lactic acid),polyols(e.g.,tetrose),furans,oligosaccharides,and others.Two strategies are generally employed.One approach involves first producing achiral platform chemicals from biomass,followed by the introduction of asymmetric catalysts to reconstruct stereocenters.The second relates to selectively preserving one or more inherent stereocenters in the natural biomass structure during complex cascade reactions in which biomass feedstock acts as a“chi-ral pool",thus eliminating the establishment of stereocenter.The feedstock,methods em-ployed,and enantioselectivity and applications of the target chiral chemicals are discussed.Despite these advances,the synthesis of optically pure chemicals from biomass is still in its in-fancy.The coming decade presents both extraordinary challenges and opportunities in biomass-derived chiral chemistry.Future research should be focused on:(1)integrating well-established asymmetric catalysis techniques and methods with biomass’s inherent chiral pools,presenting an unprecedented opportunity to expand the chemical space of sustainable chiral compounds;(2)mastering polyfunctional complexity of chiral chemicals through holis-tic utilization of biomass’multichiral centers;(3)unlocking lignin’s stereochemical treasury that represents the next frontier in biomass valorization.
基金supported by the Yunnan Fundamental Research Projects(Grant Nos.202401AU070163 and 202501AT070298)the Yunnan Engineering Research Center Innovation Ability Construction and Enhancement Projects(Grant No.2023-XMDJ-00617107)+5 种基金the University Service Key Industry Project of Yunnan Province(Grant No.FWCY-ZD2024005)the Expert Workstation Support Project of Yunnan Province(Grant No.202405AF140069)the Scientific Research Foundation of Kunming University of Science and Technology(Grant No.20220122)the Analysis and Test Foundation of Kunming University of Science and Technology(Grant No.2023T20220122)the Natural Science Foundation of Inner Mongolia Autonomous Region of China(Grant No.2025QN02057)the Ordos City Strategic Pioneering Science and Technology Special Program for New Energy(Grant No.DC2400003365).
文摘Lithium metal batteries(LMBs)have been regarded as one of the most promising alternatives in the post-lithium battery era due to their high energy density,which meets the needs of light-weight electronic devices and long-range electric vehicles.However,technical barriers such as dendrite growth and poor Li plating/stripping reversibility severely hinder the practical application of LMBs.However,lithium nitrate(LiNO_(3))is found to be able to stabilize the Li/electrolyte interface and has been used to address the above challenges.To date,considerable research efforts have been devoted toward understanding the roles of LiNO_(3) in regulating the surface properties of Li anodes and toward the development of many effective strategies.These research efforts are partially mentioned in some articles on LMBs and yet have not been reviewed systematically.To fill this gap,we discuss the recent advances in fundamental and technological research on LiNO_(3) and its derivatives for improving the performances of LMBs,particularly for Li-sulfur(S),Li-oxygen(O),and Li-Li-containing transition-metal oxide(LTMO)batteries,as well as LiNO_(3)-containing recipes for precursors in battery materials and interphase fabrication.This review pays attention to the effects of LiNO_(3) in lithium-based batteries,aiming to provide scientific guidance for the optimization of electrode/electrolyte interfaces and enrich the design of advanced LMBs.
基金supported by the National Natural Science Foundation of China(5152260151950410590)+1 种基金China Postdoctoral Science Foundation Fund(2019M651284)Fundamental Research Funds for the Central Universities(HIT.NSRIF.2020054)。
文摘The continuous consumption of fossil fuels causes two important impediments including emission of large concentrations of CO2 resulting in global warming and alarming utilization of energy assets.The conversion of greenhouse gas CO2 into solar fuels can be an expedient accomplishment for the solution of both problems,all together.CO2 reutilization into valuable fuels and chemicals is a great challenge of the current century.Owing to limitations in traditional approaches,there have been developed many novel technologies such as photochemical,biochemical,electrochemical,plasma-chemical and solar thermochemical.They are currently being used for CO2 capture,sequestration,and utilization to transform CO2 into valuable products such as syngas,methane,methanol,formic acid,as well as fossil fuel consumption reduction.This review summarizes different traditional and novel thermal technologies used in CO2 conversion with detailed information about their working principle,types,currently adopted methods,developments,conversion rates,products formed,catalysts and operating conditions.Moreover,a comparison of these novel technologies in terms of distinctive key features such as conversion rate,yield,use of earth metals,renewable energy,investment,and operating cost has been provided in order to have a useful review for future research direction.
文摘In fulfillment of the national science-and-technology development agenda, the Department of Chemical Sciences of the National Natural Science Foundation of China (NSFC) convened the Strategic Symposium on the Fifteenth FiveYear (20262030) Development Plan for Electrochemistry held in Xiamen on 29 August, 2025-the culminating year of the Fourteenth Five-Year (2021-2025) Development Plan. More than forty leading experts in the field of electrochemistry participated with spanning nine thematic fronts: Interfacial Electrocatalysis, Interfacial Electrochemistry for Energy Storage, Bioelectrochemistry, Electrochemistry of Hydrogen Energy, Electrochemical Micro-/Nano-Manufacturing, Operando Electrochemical Characterization, Electro-Thermal Coupling Catalysis, Theoretical and Computational Electrochemistry,and Electrochemical Synthesis. The forum assembled China's foremost electrochemical expertise to blueprint high-quality disciplinary growth for the coming five-year period, thereby serving overarching national strategic needs and sharpening the international competitiveness of Chinese electrochemistry.This paper is presented to highlight the strategic needs and priority areas for the next five years (2026-2030) based on this symposium. The development status of basic research and applied basic research in China's electrochemistry field is systematically reviewed. The in-depth analyses of the existing problems and key challenges in the research and development of electrochemistry related fields are outlined, and the frontier research areas and development trends in the next 5-10 years by integrating national major strategic needs are discussed, which will further promote the academic community to reach a clearer consensus. The proposed strategic roadmap is intended to accelerate a sharpened community consensus, propel the discipline toward high-quality advancement, and furnish a critical reference for building China into a world-leading science and technology power.
基金supported by the National Natural Science Foundation of China(51876118)。
文摘The International Maritime Organization(IMO)aims to reduce shipping greenhouse gas emissions by 70%by 2050,positioning onboard carbon capture(OCC)systems as essential tools,with chemical absorption being particularly favorable due to its retrofit viability.This review analyzes advancements in chemical absorption technologies specific to shipborne applications,focusing on absorbent development,absorption tower optimization,and system integration.This article begins with an overview of OCC principles and advantages,followed by a discussion of technological progress,including feasibility studies and project outcomes.It explores various chemical absorbents,assessing performance,degradation,and emissions.The structural configurations of absorption towers and their modeling techniques are examined,alongside challenges such as limited vessel space,energy constraints,and gas-liquid distribution inefficiencies.Future directions emphasize the need for innovative absorbent designs,advanced simulation for tower optimization,and enhanced integration with ship energy systems,including renewable energy and waste heat recovery.The potential for intelligent technologies to enable real-time monitoring and automated management of carbon capture systems is highlighted.Finally,further investigations into fundamental interfaces and reaction kinetics are essential for advancing shipborne carbon capture technologies,providing a crucial reference for researchers and practitioners in the field.
文摘About us:The College of Chemistry and Materials Engineering(CME)in Wenzhou University(Zhejiang Province,China)is looking for postdoctoral candidates(up to 25)specialized in Chemistry,Chemical Engineering and Materials Science.The college has its Chemistry program ranking ESI Top 6%o worldwide,and Materials Science program ranking 589th in the world since2023.The college has led publications appearing in journals such as Nat.Catal.,Nat.Commun.,Sci.Adv.,J.Am.Chem.Soc.,Angew.Chem.
基金The financial support from the National Key Research and Development Program of China(No.2023YFD1700600)。
文摘Agrochemicals,especially plant growth regulators(PGRs),are extensively used to modulate endogenous phytohormone signals in small quantities,significantly infiuencing plant growth and development.Plant hormones typically exhibit diverse chemical structures,with common examples including indole rings,terpenoid frameworks,adenine motifs,cyclic lactones,cyclopentanones,and steroidal compounds,which are extensively employed in pesticides.This article explores the interactions and biological activities of small molecules on proteins,enzymes,and other reactive sites involved in the biosynthesis,metabolism,transport,and signal transduction pathways of various plant hormones.Additionally,it analyzes the structure-activity relationships(SARs)of pesticides incorporating these structural motifs to elucidate the relationship between active fragments,pharmacophores,and targets,highlighting the characteristics of potent small molecules and their derivatives.This comprehensive review aims to provide novel perspectives for the development and design of pesticides,offering valuable insights for researchers in the field.
基金support from the National Natural Science Foundation of China(No.52304048)supported by the Sichuan Science and Technology Program(No.2025ZNSFSC1355)the Open Fund(No.PLN202428)of the State Key Laboratory of Oil and Gas Reservoir Geology and Exploitation at Southwest Petroleum University.
文摘Geochemical reactions play a vital role in determining the efficiency of carbon capture,utilization,and storage combined with enhanced oil recovery(CCUS-EOR),particularly through their influence on reservoir properties.To deepen the understanding of these mechanisms,this review investigates the interactions among injected CO_(2),formation fluids,and rock minerals and evaluates their implications for CCUS-EOR performance.The main results are summarized as follows.First,temperature,pressure,pH,and fluid composition are identified as key factors influencing mineral dissolution and precipitation,which in turn affect porosity,permeability,and CO_(2) storage.Second,carbonate minerals,such as calcite and dolomite,show high reactivity under lower temperature conditions,enhancing dissolution and permeability,while silicate minerals,including illite,kaolinite,quartz,and K-feldspar,are comparatively inert.Third,the formation of carbonic acid during CO_(2) injection promotes dissolution,whereas secondary precipitation,especially of clay minerals,can reduce pore connectivity and limit flow paths.Fourth,mineral transformation and salt precipitation can further modify reservoir characteristics,influencing both oil recovery and long-term CO_(2) trapping.Fifth,advanced experimental tools,such as Computed Tomography(CT)and Nuclear Magnetic Resonance(NMR)imaging,combined with geochemical modeling and reservoir simulation,are essential to predict petrophysical changes across scales.This review provides a theoretical foundation for integrating geochemical processes into CCUS-EOR design,offering technical support for field application and guiding sustainable CO_(2) management in oil reservoirs.
文摘In this article the affiliation of Jin-Ke Shen,Nai-Teng Wu,Li-Yuan Wang,Gang Jiang,Jin Li,Gui-Long Liu,Xian-Ming Liu were incorrectly given as:State Key Laboratory of Chemistry and Utilization of Carbon Based Energy Resources,School of Chemical Engineering and Technology,Xinjiang University,Urumqi 830046,China.
