The effect of different kinds of comonomers with or without flexible chain on properties of copolyesters, such as transition temperature, crystallization velocity, crystallinity and size Of crystallites, is studied. T...The effect of different kinds of comonomers with or without flexible chain on properties of copolyesters, such as transition temperature, crystallization velocity, crystallinity and size Of crystallites, is studied. The experimental results indicate the obvious difference in properties between comonomers with iso-and ortho-structure of phenyl ring and comonomers with flexible chain. The influence of chemical structure of comonomers on properties of copolyesters is discussed.展开更多
The critical issue in developing mature Oxy-Coal Combustion Steam System technology could be the reactivity of deminer-alized coal which,is closely related to its chemical structure.The chemical structures of Liupansh...The critical issue in developing mature Oxy-Coal Combustion Steam System technology could be the reactivity of deminer-alized coal which,is closely related to its chemical structure.The chemical structures of Liupanshui raw coal(LPS-R)and Liupanshui demineralized coal(LPS-D)were analyzed by FTIR and solid-state 13C-NMR.The pyrolysis experiments were carried out by TG,and the pyrolysis kinetics was analyzed by three iso-conversional methods.FTIR and 13C-NMR results suggested that the carbon structure of LPS coal was not altered greatly,while demineralization promoted the maturity of coal and the condensation degree of the aromatic ring,making the chemical structure of coal more stable.The oxygen-containing functional groups with low bond energy were reduced,and the ratio of aromatic carbon with high bond energy was increased,decreasing the pyrolysis reactivity.DTG curve-fitting results revealed that the thermal weight loss of LPS coal mainly came from the cleavage of aliphatic covalent bonds.By pyrolysis kinetics analysis of LPS-R and LPS-D,the apparent activation energies were 76±4 to 463±5 kJ/mol and 84±2 to 758±12 kJ/mol,respectively,under different conversion rates.The reactivity of the demineralized coal was inhibited to some extent,as the apparent activation energy of pyrolysis for LPS-D increased by acid treatment.展开更多
Two new Components, spiramine N (1) and spiraminol (2) were isolated from Spiraea japonica var. aecuminata Franch. Their structureswere elucidated bychemical and spectxal means.
Natural products provide an important original source of structural diversity for finding new compounds as anti-peptic ulcer drugs. The present review highlights some recent advances on gastro-protective flavonoids, t...Natural products provide an important original source of structural diversity for finding new compounds as anti-peptic ulcer drugs. The present review highlights some recent advances on gastro-protective flavonoids, terpenes, alkaloids, steroids, phenylpropanoids,glycosides and chromenes from natural herbs or traditional medicinal plants, and helps us analyze the structure-activity relationship(SAR) of natural products in healing of peptic ulcer for further drug development.展开更多
The chemical structures of bagasse EMAL （enzymatic hydrolysis/mild acidolysis lignin） were revealed quantitatively with ^31p-NMR, DFRC （derivatization followed by reductive cleavage）. The thermochemical characteri...The chemical structures of bagasse EMAL （enzymatic hydrolysis/mild acidolysis lignin） were revealed quantitatively with ^31p-NMR, DFRC （derivatization followed by reductive cleavage）. The thermochemical characteristics of bagasse and bagasse EMAL were evaluated with thermogravimetry. The results show that bagasse EMAL is mainly formed by the phenolic hydroxyl group of guaiacyl and syringyl units. The DBDO content in bagasse EMAL was found to be 0.180 mmol.g^-1. The decomposition characteristics of bagasse EMAL under elevated temperature were much different from that of bagasse.展开更多
A new polysaccharide,GBW was obtained homogeneous as determined by HPLC from the roots of Glycyrrhizia uralensis Fisch. The molecular weight was estimated to be 4000. The component sugar was identified as glucose only...A new polysaccharide,GBW was obtained homogeneous as determined by HPLC from the roots of Glycyrrhizia uralensis Fisch. The molecular weight was estimated to be 4000. The component sugar was identified as glucose only. The specific rotation [α]^(28)_D (C=0.1,H_2O) was +1200. The α-configuration was established by IR and ^(13)C NMR. Methylation analysis, periodate oxidation, Smith degradation, partial hydrolysis, KI-I_2 reaction and ^(13)C NMR showed that GBW is a new (1→4)linked linear α-D-glucan. The structure is shown as 1.展开更多
A novel alkaloid named Hypodemapyrazine was isolated from the whole plantof a fern, Hypodematium sinense Iwatsuki. Its chemical structure has been elucidated to be a novel skeleton containing a hydro-pyrazine by means...A novel alkaloid named Hypodemapyrazine was isolated from the whole plantof a fern, Hypodematium sinense Iwatsuki. Its chemical structure has been elucidated to be a novel skeleton containing a hydro-pyrazine by means of UV, IR, ~1H-NMR, ^(13)C-NMR and HRMS spectroscopy.展开更多
Viburnum dilatatum(jiami in Chinese),belonging to the Caprifollaceae family,is widely distributed in Japan and China.Phytochemical investigations of Viburnum dilatatum(V.dilatatum)have resulted in the isolation of tri...Viburnum dilatatum(jiami in Chinese),belonging to the Caprifollaceae family,is widely distributed in Japan and China.Phytochemical investigations of Viburnum dilatatum(V.dilatatum)have resulted in the isolation of triterpenoids,phenolic glycosides essential oil,norisoprenoids,etc.Research results have shown that the chemical constituents of V.dilatatum possess various pharmacological activities,including antihyperglycemic,antioxidant activity and antiulcer effects.This study reviewed the chemical constituents and pharmacological activities of V.dilatatum to provide practical and useful information for further research and development of this plant.展开更多
In this investigation, SAXS and XRD were used to investigate both the physical and chemical changes in six coals of different ranks subjected to heat treatment. The specific surface area which gives an indication of t...In this investigation, SAXS and XRD were used to investigate both the physical and chemical changes in six coals of different ranks subjected to heat treatment. The specific surface area which gives an indication of the reactivity of the coal (measures surface area available for reaction) was determined to be in the range of 70.04 - 260.40 m<sup>2</sup>/cm<sup>3</sup> particle volume for lignite from 450°C - 700°C. The specific surface area was determined to be in the range of 51.58 - 239.00 m<sup>2</sup>/cm<sup>3</sup> particle volume for sub-bituminous;440.60 - 241.70 m<sup>2</sup>/cm<sup>3</sup> particle volume for light volatile bituminous;452.71 - 247.73 m<sup>2</sup>/cm<sup>3</sup> particle volume for high volatile bituminous;349.11 - 347.52 m<sup>2</sup>/cm<sup>3 </sup>particle volume for semi-anthracite and 333.60 - 125.34 m<sup>2</sup>/cm<sup>3</sup> particle volume for anthracite respectively. On the other hand, the aromaticity was determined in the range of 0.66 - 0.76 for lignite;0.67 to 0.80 for sub-bituminous;0.91 - 0.97 for light volatile bituminous;0.93 - 0.99 for high volatile bituminous;0.96 - 1.00 for semi-anthracite and 0.96 to 0.99 for anthracite respectively. The porosity, pore size distribution associated with SAXS and the other crystallite parameters identified with XRD were also determined. Links between the physical and chemical parameters were established.展开更多
The tropopause chemical structure(TCS)is influenced by stratosphere-troposphere exchange(STE)and plays a role in the Earth’s climate.However,this role is still not fully understood in East Asia,where active STE and h...The tropopause chemical structure(TCS)is influenced by stratosphere-troposphere exchange(STE)and plays a role in the Earth’s climate.However,this role is still not fully understood in East Asia,where active STE and high anthropogenic emissions coexist.Using airborne measurements of trace gases,including O_(3),CO,and H_(2)O,we reveal the variations in TCS during two consecutive cut-off lows(COLs),an important trigger of STE.We demonstrate the important roles of two-way STE and long-range transport processes in delivering natural and anthropogenic signatures in the TCS.The former COL case shows a normal pattern of TCS,consisting of stratospheric and tropospheric air and a mixture of them.The latter,as a novel type of STE,exhibits an anomalous and complex structure due to deep convective injection into stratospheric intrusions and advection of remote marine air.The distinct mixture of stratospheric air and anthropogenic pollution alters the TCS,with horizontal and vertical scales estimated to be 200 and 1 km,respectively.Moreover,air of maritime origin,which is convectively transported and strongly dehydrated during long-range transport,is also identified.Such a complex TCS can produce unique chemical environments that modulate cloud physics and atmospheric radiation.From a climatological perspective,events of these anomalous airmasses are nonnegligible in terms of their frequency and chemical impact,as revealed by multiyear observations.These new insights advance our understanding of the mixing of natural and anthropogenic species that shape the TCS in East Asia and have implications for climate change.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
This study reports the response of helium(He)ion irradiation on binary-phase structured alloy V_(34)Ti_(25)Cr_(10)Ni_(30)Pd1.The alloy consists of a VCr matrix with nano-sized TiNi precipitates and a B2 TiNi matrix wi...This study reports the response of helium(He)ion irradiation on binary-phase structured alloy V_(34)Ti_(25)Cr_(10)Ni_(30)Pd1.The alloy consists of a VCr matrix with nano-sized TiNi precipitates and a B2 TiNi matrix with nano-sized VCr precipitates.VCr is chemical-disordered and TiNi has a B2-ordered structure.The alloy was subjected to 400 keV He ion irradiation with a fluence of 1×10^(17)ions cm^(−2)at 450℃.The results show He bubbles within the chemical-disordered VCr matrix exhibit a near-spherical shape with a smaller size and higher density compared to that in chemical-ordered TiNi phase with a larger size,lower density,and faceted shape.This indicates the chemical-disordered VCr phase effectively suppresses He accumulation compared to the B2-ordered TiNi phase,emphasizing the dominance of chemical struc-tures in He bubble formation.The calculation of density functional theory(DFT)shows that Ti and Ni have lower vacancy formation energy than that of V and Cr,respectively,which results in the increased vacancy production in TiNi.Consequently,He bubbles in TiNi have a larger bubble size consistent with experimental observations of radiation-induced Ni segregation.These findings elucidate the roles of or-dered and disordered chemical structures in He bubble evolution,offering insights for the development of gas ion irradiation-resistant materials.展开更多
MAX phase ceramics is a large family of nanolaminate carbides and nitrides,which integrates the advantages of both metals and ceramics,in general,the distinct chemical inertness of ceramics and excellent physical prop...MAX phase ceramics is a large family of nanolaminate carbides and nitrides,which integrates the advantages of both metals and ceramics,in general,the distinct chemical inertness of ceramics and excellent physical properties like metals.Meanwhile,the rich chemical and structural diversity of the MAXs endows them with broad space for property regulation.Especially,a much higher self-lubricity,as well as wear resistance,than that of traditional alloys and ceramics,has been observed in MAXs at elevated temperatures in recent decades,which manifests a great application potential and sparks tremendous research interest.Aiming at establishing a correlation among structure,chemical composition,working conditions,and the tribological behaviors of MAXs,this work overviews the recent progress in their high-temperature(HT)tribological properties,accompanied by advances in synthesis and structure analysis.HT tribological-specific behaviors,including the stress responses and damage mechanism,oxidation mechanism,and wear mechanism,are discussed.Whereafter,the tribological behaviors along with factors related to the tribological working conditions are discussed.Accordingly,outlooks of MAX phase ceramics for future HT solid lubricants are given based on the optimization of present mechanical properties and processing technologies.展开更多
Facial amphiphilicity is an extraordinary chemical structure feature of a variety of antimicrobial peptides and polymers.Vast efforts have been dedicated to small molecular,macromolecular and dendrimer-like systems to...Facial amphiphilicity is an extraordinary chemical structure feature of a variety of antimicrobial peptides and polymers.Vast efforts have been dedicated to small molecular,macromolecular and dendrimer-like systems to mimic this highly preferred structure or conformation,including local facial amphiphilicity and global amphiphilicity.This work conceptualizes Facial Amphiphilicity Index(FAI)as a numerical value to quantitatively characterize the measure of chemical compositions and structural features in dictating antimicrobial efficacy.FAI is a ratio of numbers of charges to rings,representing both compositions of hydrophilicity and hydrophobicity.Cationic derivatives of multicyclic compounds were evaluated as model systems for testing antimicrobial selectivity against Gram-negative and Gram-positive bacteria.Both monocyclic and bicyclic compounds are non-antimicrobial regardless of FAIs.Antimicrobial efficacy was observed with systems having larger cross-sectional areas including tricyclic abietic acid and tetracyclic bile acid.While low and high FAIs respectively lead to higher and lower antimicrobial efficacy,in consideration of cytotoxicity,the sweet spot is typically suited with intermediate FAIs for each specific system.This can be well explained by the synergistic hydrophobic-hydrophobic and electrostatic interactions with bacterial cell membranes and the difference between bacterial and mammalian cell membranes.The adoption of FAI would pave a new avenue toward the design of next-generation antimicrobial macromolecules and peptides.展开更多
Toxin, one of the most important factors of plant fungal disease, has attracted much attention of many academicians who have been studying pathogen mycotoxin in deep research. The paper summarized chemical structures ...Toxin, one of the most important factors of plant fungal disease, has attracted much attention of many academicians who have been studying pathogen mycotoxin in deep research. The paper summarized chemical structures of some host-selective plant pathogen mycotoxins discovered in recent years and the correlation between biological activity and chemical structure of toxin.展开更多
Rational architecture design has turned out to be an effective strategy in improving the electrochemical performance of electrode materials for batteries.However,an elaborate structure that could simultaneously endow ...Rational architecture design has turned out to be an effective strategy in improving the electrochemical performance of electrode materials for batteries.However,an elaborate structure that could simultaneously endow active materials with promoted reaction reversibility,accelerated kinetic and restricted volume change still remains a huge challenge.Herein,a novel chemical interaction motivated structure design strategy has been proposed,and a chemically bonded Co(CO_(3))_(0.5)OH·0.11 H_(2)O@MXene(CoCH@MXene)layered-composite was fabricated for the first time.In such a composite,the chemical interaction between Co^(2+)and MXene drives the growth of smaller-sized CoCH crystals and the subsequent formation of interwoven CoCH wires sandwiched in-between MXene nanosheets.This unique layered structure not only encourages charge transfer for faster reaction dynamics,but buffers the volume change of CoCH during lithiation-delithiation process,owing to the confined crystal growth between conductive MXene layers with the help of chemical bonding.Besides,the sandwiched interwoven CoCH wires also prevent the stacking of MXene layers,further conducive to the electrochemical performance of the composite.As a result,the as-prepared CoCH@MXene anode demonstrates a high reversible capacity(903.1 mAh g^(-1)at 100 mA g^(-1))and excellent cycling stability(maintains 733.6 mAh g^(-1)at1000 mA g^(-1)after 500 cycles)for lithium ion batteries.This work highlights a novel concept of layerby-layer chemical interaction motivated architecture design for futuristic high performance electrode materials in energy storage systems.展开更多
The canonical and locatized molecutar orbiters of [NCCuS_2NoS_2]^(2-) cluster were calculated by means of CNDO quantum chemistry method. Then the energy and properties of corresponding chemicat bonds were discussed, e...The canonical and locatized molecutar orbiters of [NCCuS_2NoS_2]^(2-) cluster were calculated by means of CNDO quantum chemistry method. Then the energy and properties of corresponding chemicat bonds were discussed, especially, Cu-Sb-No three center conjugated π bonds and No-St-No conjugated π bonds were accounted for.展开更多
The electronic structure and spectra of [Mo3O4-nSn]^(4+)(n=0-4) cations were calculated by means of INDO/CI quantum chemistry method to account for the experimental data of their spectra in water solutions.
The program system described in this paper is a microcomputer analytic system for X-ray crystal structure used in chemical laboratories.The abbreviated name is NOMCSDP.NOMCSDP has been developed on the basis of NRCVAX...The program system described in this paper is a microcomputer analytic system for X-ray crystal structure used in chemical laboratories.The abbreviated name is NOMCSDP.NOMCSDP has been developed on the basis of NRCVAX and SHELXS-86.It is a software for X- ray crystal structure analysis of organic molecules,especially natural organic molecules(1-7).展开更多
Molecular dynamics simulation was employed to investigate the dynamical and structural properties of Al−Mg melts with the Al concentration systematically changed.The results show that the viscosity of Al67Mg33 abnorma...Molecular dynamics simulation was employed to investigate the dynamical and structural properties of Al−Mg melts with the Al concentration systematically changed.The results show that the viscosity of Al67Mg33 abnormally surpasses that of Al85Mg15 below 550 K,inconsistent with the tendency at high temperatures.The evolution of the icosahedral order population is found to account for this dynamic behavior.Structural analysis shows a preferred bonding between Al and Mg atoms in the nearest neighbor shells,while a repelling tendency between them in the second shells,leading to the prepeak emergence in the partial static structure factors.The formation of icosahedral clusters is constrained in the Al-rich compositions because of the lack of sufficient Mg atoms to stabilize the clusters geometrically.These results demonstrate the structural consequence through the interplay between geometric packing and chemical interaction.These findings are crucial to understanding the structure−dynamic properties in Al−Mg melts.展开更多
文摘The effect of different kinds of comonomers with or without flexible chain on properties of copolyesters, such as transition temperature, crystallization velocity, crystallinity and size Of crystallites, is studied. The experimental results indicate the obvious difference in properties between comonomers with iso-and ortho-structure of phenyl ring and comonomers with flexible chain. The influence of chemical structure of comonomers on properties of copolyesters is discussed.
基金supported by the National Natural Science Foundation of China (51536002)the Fundamental Research Funds for the Central Universities (2015QNA12)the Open Sharing Fund for the Large-scale Instruments and Equipments of China University of Mining and Technology (CUMT).
文摘The critical issue in developing mature Oxy-Coal Combustion Steam System technology could be the reactivity of deminer-alized coal which,is closely related to its chemical structure.The chemical structures of Liupanshui raw coal(LPS-R)and Liupanshui demineralized coal(LPS-D)were analyzed by FTIR and solid-state 13C-NMR.The pyrolysis experiments were carried out by TG,and the pyrolysis kinetics was analyzed by three iso-conversional methods.FTIR and 13C-NMR results suggested that the carbon structure of LPS coal was not altered greatly,while demineralization promoted the maturity of coal and the condensation degree of the aromatic ring,making the chemical structure of coal more stable.The oxygen-containing functional groups with low bond energy were reduced,and the ratio of aromatic carbon with high bond energy was increased,decreasing the pyrolysis reactivity.DTG curve-fitting results revealed that the thermal weight loss of LPS coal mainly came from the cleavage of aliphatic covalent bonds.By pyrolysis kinetics analysis of LPS-R and LPS-D,the apparent activation energies were 76±4 to 463±5 kJ/mol and 84±2 to 758±12 kJ/mol,respectively,under different conversion rates.The reactivity of the demineralized coal was inhibited to some extent,as the apparent activation energy of pyrolysis for LPS-D increased by acid treatment.
文摘Two new Components, spiramine N (1) and spiraminol (2) were isolated from Spiraea japonica var. aecuminata Franch. Their structureswere elucidated bychemical and spectxal means.
基金supported by the National Natural Science Foundation of China(No.21272136)Youth Talent Development Foundation of China Three Gorges University
文摘Natural products provide an important original source of structural diversity for finding new compounds as anti-peptic ulcer drugs. The present review highlights some recent advances on gastro-protective flavonoids, terpenes, alkaloids, steroids, phenylpropanoids,glycosides and chromenes from natural herbs or traditional medicinal plants, and helps us analyze the structure-activity relationship(SAR) of natural products in healing of peptic ulcer for further drug development.
基金The authors are grateful for the financial support of this research from the National Natural Science Foundation of China(No.30371138 and 20576043)the Visiting Scholarship Grant from the Key Laboratory of Lignocellulosics Chemistry,Chinese Academy of Sciences(No.109).
文摘The chemical structures of bagasse EMAL （enzymatic hydrolysis/mild acidolysis lignin） were revealed quantitatively with ^31p-NMR, DFRC （derivatization followed by reductive cleavage）. The thermochemical characteristics of bagasse and bagasse EMAL were evaluated with thermogravimetry. The results show that bagasse EMAL is mainly formed by the phenolic hydroxyl group of guaiacyl and syringyl units. The DBDO content in bagasse EMAL was found to be 0.180 mmol.g^-1. The decomposition characteristics of bagasse EMAL under elevated temperature were much different from that of bagasse.
文摘A new polysaccharide,GBW was obtained homogeneous as determined by HPLC from the roots of Glycyrrhizia uralensis Fisch. The molecular weight was estimated to be 4000. The component sugar was identified as glucose only. The specific rotation [α]^(28)_D (C=0.1,H_2O) was +1200. The α-configuration was established by IR and ^(13)C NMR. Methylation analysis, periodate oxidation, Smith degradation, partial hydrolysis, KI-I_2 reaction and ^(13)C NMR showed that GBW is a new (1→4)linked linear α-D-glucan. The structure is shown as 1.
文摘A novel alkaloid named Hypodemapyrazine was isolated from the whole plantof a fern, Hypodematium sinense Iwatsuki. Its chemical structure has been elucidated to be a novel skeleton containing a hydro-pyrazine by means of UV, IR, ~1H-NMR, ^(13)C-NMR and HRMS spectroscopy.
文摘Viburnum dilatatum(jiami in Chinese),belonging to the Caprifollaceae family,is widely distributed in Japan and China.Phytochemical investigations of Viburnum dilatatum(V.dilatatum)have resulted in the isolation of triterpenoids,phenolic glycosides essential oil,norisoprenoids,etc.Research results have shown that the chemical constituents of V.dilatatum possess various pharmacological activities,including antihyperglycemic,antioxidant activity and antiulcer effects.This study reviewed the chemical constituents and pharmacological activities of V.dilatatum to provide practical and useful information for further research and development of this plant.
文摘In this investigation, SAXS and XRD were used to investigate both the physical and chemical changes in six coals of different ranks subjected to heat treatment. The specific surface area which gives an indication of the reactivity of the coal (measures surface area available for reaction) was determined to be in the range of 70.04 - 260.40 m<sup>2</sup>/cm<sup>3</sup> particle volume for lignite from 450°C - 700°C. The specific surface area was determined to be in the range of 51.58 - 239.00 m<sup>2</sup>/cm<sup>3</sup> particle volume for sub-bituminous;440.60 - 241.70 m<sup>2</sup>/cm<sup>3</sup> particle volume for light volatile bituminous;452.71 - 247.73 m<sup>2</sup>/cm<sup>3</sup> particle volume for high volatile bituminous;349.11 - 347.52 m<sup>2</sup>/cm<sup>3 </sup>particle volume for semi-anthracite and 333.60 - 125.34 m<sup>2</sup>/cm<sup>3</sup> particle volume for anthracite respectively. On the other hand, the aromaticity was determined in the range of 0.66 - 0.76 for lignite;0.67 to 0.80 for sub-bituminous;0.91 - 0.97 for light volatile bituminous;0.93 - 0.99 for high volatile bituminous;0.96 - 1.00 for semi-anthracite and 0.96 to 0.99 for anthracite respectively. The porosity, pore size distribution associated with SAXS and the other crystallite parameters identified with XRD were also determined. Links between the physical and chemical parameters were established.
基金supported by the National Natural Science Foundation of China(42105079)Computing resources used in this study were provided by Fujian Normal University High Performance Computation Center(FNU-HPCC).
文摘The tropopause chemical structure(TCS)is influenced by stratosphere-troposphere exchange(STE)and plays a role in the Earth’s climate.However,this role is still not fully understood in East Asia,where active STE and high anthropogenic emissions coexist.Using airborne measurements of trace gases,including O_(3),CO,and H_(2)O,we reveal the variations in TCS during two consecutive cut-off lows(COLs),an important trigger of STE.We demonstrate the important roles of two-way STE and long-range transport processes in delivering natural and anthropogenic signatures in the TCS.The former COL case shows a normal pattern of TCS,consisting of stratospheric and tropospheric air and a mixture of them.The latter,as a novel type of STE,exhibits an anomalous and complex structure due to deep convective injection into stratospheric intrusions and advection of remote marine air.The distinct mixture of stratospheric air and anthropogenic pollution alters the TCS,with horizontal and vertical scales estimated to be 200 and 1 km,respectively.Moreover,air of maritime origin,which is convectively transported and strongly dehydrated during long-range transport,is also identified.Such a complex TCS can produce unique chemical environments that modulate cloud physics and atmospheric radiation.From a climatological perspective,events of these anomalous airmasses are nonnegligible in terms of their frequency and chemical impact,as revealed by multiyear observations.These new insights advance our understanding of the mixing of natural and anthropogenic species that shape the TCS in East Asia and have implications for climate change.
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supported by the National Magnetic Con-finement Fusion Energy Research Project from the Ministry of Science and Technology of China(No.2022YFE03030004 and 2019YFE03120003)the National Natural Science Foundation of China(No.12275010,12275176,12275001,12335017,11921006,U21B2082,U22B2064 and U20B2025)+3 种基金the Beijing Municipal Natural Science Foundation(No.1222023)the Shenzhen Science and Technology Program(No.RCYX20210609103904028)Engang Fu acknowledges the support from the Science Fund or Creative Research Groups of NSFC,the Ion Beam Materials Laboratory(IBML)and Electron Microscopy Laboratory(EML)the High-performance Computing Platform(HPC)at Peking University.Xing Liu acknowledges the discussion with Prof.Ning Gao and Dr.Yifan Zhang.
文摘This study reports the response of helium(He)ion irradiation on binary-phase structured alloy V_(34)Ti_(25)Cr_(10)Ni_(30)Pd1.The alloy consists of a VCr matrix with nano-sized TiNi precipitates and a B2 TiNi matrix with nano-sized VCr precipitates.VCr is chemical-disordered and TiNi has a B2-ordered structure.The alloy was subjected to 400 keV He ion irradiation with a fluence of 1×10^(17)ions cm^(−2)at 450℃.The results show He bubbles within the chemical-disordered VCr matrix exhibit a near-spherical shape with a smaller size and higher density compared to that in chemical-ordered TiNi phase with a larger size,lower density,and faceted shape.This indicates the chemical-disordered VCr phase effectively suppresses He accumulation compared to the B2-ordered TiNi phase,emphasizing the dominance of chemical struc-tures in He bubble formation.The calculation of density functional theory(DFT)shows that Ti and Ni have lower vacancy formation energy than that of V and Cr,respectively,which results in the increased vacancy production in TiNi.Consequently,He bubbles in TiNi have a larger bubble size consistent with experimental observations of radiation-induced Ni segregation.These findings elucidate the roles of or-dered and disordered chemical structures in He bubble evolution,offering insights for the development of gas ion irradiation-resistant materials.
基金National Natural Science Foundation ofChina,Grant/Award Number:52275212Fundamental Research Funds for theCentral Universities,Grant/Award Number:D5000230047the"Special Lubrication and Sealing forAerospace"Shaanxi Provincial Scienceand Technology Innovation Team,Grant/Award Number:2024RS-CXTD-63。
文摘MAX phase ceramics is a large family of nanolaminate carbides and nitrides,which integrates the advantages of both metals and ceramics,in general,the distinct chemical inertness of ceramics and excellent physical properties like metals.Meanwhile,the rich chemical and structural diversity of the MAXs endows them with broad space for property regulation.Especially,a much higher self-lubricity,as well as wear resistance,than that of traditional alloys and ceramics,has been observed in MAXs at elevated temperatures in recent decades,which manifests a great application potential and sparks tremendous research interest.Aiming at establishing a correlation among structure,chemical composition,working conditions,and the tribological behaviors of MAXs,this work overviews the recent progress in their high-temperature(HT)tribological properties,accompanied by advances in synthesis and structure analysis.HT tribological-specific behaviors,including the stress responses and damage mechanism,oxidation mechanism,and wear mechanism,are discussed.Whereafter,the tribological behaviors along with factors related to the tribological working conditions are discussed.Accordingly,outlooks of MAX phase ceramics for future HT solid lubricants are given based on the optimization of present mechanical properties and processing technologies.
文摘Facial amphiphilicity is an extraordinary chemical structure feature of a variety of antimicrobial peptides and polymers.Vast efforts have been dedicated to small molecular,macromolecular and dendrimer-like systems to mimic this highly preferred structure or conformation,including local facial amphiphilicity and global amphiphilicity.This work conceptualizes Facial Amphiphilicity Index(FAI)as a numerical value to quantitatively characterize the measure of chemical compositions and structural features in dictating antimicrobial efficacy.FAI is a ratio of numbers of charges to rings,representing both compositions of hydrophilicity and hydrophobicity.Cationic derivatives of multicyclic compounds were evaluated as model systems for testing antimicrobial selectivity against Gram-negative and Gram-positive bacteria.Both monocyclic and bicyclic compounds are non-antimicrobial regardless of FAIs.Antimicrobial efficacy was observed with systems having larger cross-sectional areas including tricyclic abietic acid and tetracyclic bile acid.While low and high FAIs respectively lead to higher and lower antimicrobial efficacy,in consideration of cytotoxicity,the sweet spot is typically suited with intermediate FAIs for each specific system.This can be well explained by the synergistic hydrophobic-hydrophobic and electrostatic interactions with bacterial cell membranes and the difference between bacterial and mammalian cell membranes.The adoption of FAI would pave a new avenue toward the design of next-generation antimicrobial macromolecules and peptides.
基金Supported by the National Science Foundation Program (30271084).
文摘Toxin, one of the most important factors of plant fungal disease, has attracted much attention of many academicians who have been studying pathogen mycotoxin in deep research. The paper summarized chemical structures of some host-selective plant pathogen mycotoxins discovered in recent years and the correlation between biological activity and chemical structure of toxin.
基金financially supported by the National Natural Science Foundation of China(No.51933007,No.51673123 and No.22005346)the National Key R&D Program of China(No.2017YFE0111500)+1 种基金the State Key Laboratory of Polymer Materials Engineering(Grant No.:sklpme2020-1-02)Financial support provided by the Fundamental Research Funds for the Central Universities(No.YJ202118)。
文摘Rational architecture design has turned out to be an effective strategy in improving the electrochemical performance of electrode materials for batteries.However,an elaborate structure that could simultaneously endow active materials with promoted reaction reversibility,accelerated kinetic and restricted volume change still remains a huge challenge.Herein,a novel chemical interaction motivated structure design strategy has been proposed,and a chemically bonded Co(CO_(3))_(0.5)OH·0.11 H_(2)O@MXene(CoCH@MXene)layered-composite was fabricated for the first time.In such a composite,the chemical interaction between Co^(2+)and MXene drives the growth of smaller-sized CoCH crystals and the subsequent formation of interwoven CoCH wires sandwiched in-between MXene nanosheets.This unique layered structure not only encourages charge transfer for faster reaction dynamics,but buffers the volume change of CoCH during lithiation-delithiation process,owing to the confined crystal growth between conductive MXene layers with the help of chemical bonding.Besides,the sandwiched interwoven CoCH wires also prevent the stacking of MXene layers,further conducive to the electrochemical performance of the composite.As a result,the as-prepared CoCH@MXene anode demonstrates a high reversible capacity(903.1 mAh g^(-1)at 100 mA g^(-1))and excellent cycling stability(maintains 733.6 mAh g^(-1)at1000 mA g^(-1)after 500 cycles)for lithium ion batteries.This work highlights a novel concept of layerby-layer chemical interaction motivated architecture design for futuristic high performance electrode materials in energy storage systems.
文摘The canonical and locatized molecutar orbiters of [NCCuS_2NoS_2]^(2-) cluster were calculated by means of CNDO quantum chemistry method. Then the energy and properties of corresponding chemicat bonds were discussed, especially, Cu-Sb-No three center conjugated π bonds and No-St-No conjugated π bonds were accounted for.
文摘The electronic structure and spectra of [Mo3O4-nSn]^(4+)(n=0-4) cations were calculated by means of INDO/CI quantum chemistry method to account for the experimental data of their spectra in water solutions.
文摘The program system described in this paper is a microcomputer analytic system for X-ray crystal structure used in chemical laboratories.The abbreviated name is NOMCSDP.NOMCSDP has been developed on the basis of NRCVAX and SHELXS-86.It is a software for X- ray crystal structure analysis of organic molecules,especially natural organic molecules(1-7).
基金supported by the Open Research Fund of Songshan Lake Materials Laboratory,China (No.2022SLABFN14)Guangdong Basic and Applied Basic Research Foundation,China (No.2021A1515110108)the National Natural Science Foundation of China (No.52371168)。
文摘Molecular dynamics simulation was employed to investigate the dynamical and structural properties of Al−Mg melts with the Al concentration systematically changed.The results show that the viscosity of Al67Mg33 abnormally surpasses that of Al85Mg15 below 550 K,inconsistent with the tendency at high temperatures.The evolution of the icosahedral order population is found to account for this dynamic behavior.Structural analysis shows a preferred bonding between Al and Mg atoms in the nearest neighbor shells,while a repelling tendency between them in the second shells,leading to the prepeak emergence in the partial static structure factors.The formation of icosahedral clusters is constrained in the Al-rich compositions because of the lack of sufficient Mg atoms to stabilize the clusters geometrically.These results demonstrate the structural consequence through the interplay between geometric packing and chemical interaction.These findings are crucial to understanding the structure−dynamic properties in Al−Mg melts.
