The traditional von Neumann computing architecture has relatively-low information processing speed and high power consumption,making it difficult to meet the computing needs of artificial intelligence(AI).Neuromorphic...The traditional von Neumann computing architecture has relatively-low information processing speed and high power consumption,making it difficult to meet the computing needs of artificial intelligence(AI).Neuromorphic computing systems,with massively parallel computing capability and low power consumption,have been considered as an ideal option for data storage and AI computing in the future.Memristor,as the fourth basic electronic component besides resistance,capacitance and inductance,is one of the most competitive candidates for neuromorphic computing systems benefiting from the simple structure,continuously adjustable conductivity state,ultra-low power consumption,high switching speed and compatibility with existing CMOS technology.The memristors with applying MXene-based hybrids have attracted significant attention in recent years.Here,we introduce the latest progress in the synthesis of MXene-based hybrids and summarize their potential applications in memristor devices and neuromorphological intelligence.We explore the development trend of memristors constructed by combining MXenes with other functional materials and emphatically discuss the potential mechanism of MXenes-based memristor devices.Finally,the future prospects and directions of MXene-based memristors are briefly described.展开更多
Inverted perovskite solar cells have gained prominence in industrial advancement due to their easy fabrication,low hysteresis effects,and high stability.Despite these advantages,their efficiency is currently limited b...Inverted perovskite solar cells have gained prominence in industrial advancement due to their easy fabrication,low hysteresis effects,and high stability.Despite these advantages,their efficiency is currently limited by excessive defects and poor carrier transport at the perovskite-electrode interface,particularly at the buried interface between the perovskite and transparent conductive oxide(TCO).Recent efforts in the perovskite community have focused on designing novel self-assembled molecules(SAMs)to improve the quality of the buried interface.However,a notable gap remains in understanding the regulation of atomic-scale interfacial properties of SAMs between the perovskite and TCO interfaces.This understanding is crucial,particularly in terms of identifying chemically active anchoring groups.In this study,we used the star SAM([2-(9H-carbazol-9-yl)ethyl]phosphonic acid)as the base structure to investigate the defect passivation effects of eight common anchoring groups at the perovskite-TCO interface.Our findings indicate that the phosphonic and boric acid groups exhibit notable advantages.These groups fulfill three key criteria:they provide the greatest potential for defect passivation,exhibit stable adsorption with defects,and exert significant regulatory effects on interface dipoles.Ionized anchoring groups exhibit enhanced passivation capabilities for defect energy levels due to their superior Lewis base properties,which effectively neutralize local charges near defects.Among various defect types,iodine vacancies are the easiest to passivate,whereas iodine-substituted lead defects are the most challenging to passivate.Our study provides comprehensive theoretical insights and inspiration for the design of anchoring groups in SAMs,contributing to the ongoing development of more efficient inverted perovskite solar cells.展开更多
The pursuit of high-performance is worth considerable effort in catalysis for energy efficiency and environmental sustainability. To develop redox catalysts with superior performance for soot combustion, a series of M...The pursuit of high-performance is worth considerable effort in catalysis for energy efficiency and environmental sustainability. To develop redox catalysts with superior performance for soot combustion, a series of Mn_(x)Co_(y) oxides were synthesized using MgO template substitution.This method greatly improves the preparation and catalytic efficiency and is more in line with the current theme of green catalysts and sustainable development. The resulting Mn_(1)Co_(2.3) has a strong activation capability of gaseous oxygen due to a high concentration of Co^(3+) and Mn^(3+). The Mn doping enhanced the intrinsic activity by prompting oxygen vacancy formation and gaseous oxygen adsorption. The nanosheet morphology with abundant mesoporous significantly increased the solid–solid contact efficiency and improved the adsorption capability of gaseous reactants. The novel design of Mn_(1)Co_(2.3)oxide enhanced its catalytic performance through a synergistic effect of Mn doping and the porous nanosheet morphology, showing significant potential for the preparation of high-performance soot combustion catalysts.展开更多
Chinese plum(Prunus salicina Lindl.)originates from China and makes a large contribution to the global production of plums.The P.salicina‘Wushancuili'has a green coloration and high fruit quality and is economica...Chinese plum(Prunus salicina Lindl.)originates from China and makes a large contribution to the global production of plums.The P.salicina‘Wushancuili'has a green coloration and high fruit quality and is economically important in eliminating poverty and protecting ecology in the Yangtze River Three Gorges Reservoir.However,rain-induced cracking(rain-cracking,literally skin cracking caused by rain)is a limitation to‘Wushancuili'fruit production and causes severe losses.This study reported a high-quality‘Wushancuili'genome assembly consisting of a 302.17-Mb sequence with eight pseudo-chromosomes and a contig N50 of 23.59 Mb through the combination of Illumina sequencing,Pacific Biosciences HiFiⅢsequencing,and high-throughput chromosome conformation capture technology.A total of 25109 protein-coding genes are predicted and 54.17%of the genome is composed of repetitive sequences.‘Wushancuili'underwent a remarkable orthoselection during evolution.Gene identification revealed that loss-of-function in four core MYB10 genes results in the anthocyanin deficiency and absence of red color,revealing the green coloration due to the residual high chlorophyll in fruit skin.Besides,the occurrence of cracking is assumed to be closely associated with cell wall modification and frequently rain-induced pathogen enrichment through transcriptomic analysis.The loss of MYB10 genes might render fruit more susceptible to pathogen-mediated cracking by weakening the epidermal strength and reactive oxygen species(ROS)scavenging.Our findings provided fundamental knowledge regarding fruit coloration and rain-cracking and will facilitate genetic improvement and cultivation management in Chinese plums.展开更多
Anisotropic hyperbolic phonon polaritons(PhPs)in natural biaxial hyperbolic materialα-MoO_(3) has opened up new avenues for mid-infrared nanophotonics,while active tunability ofα-MoO_(3) PhPs is still an urgent prob...Anisotropic hyperbolic phonon polaritons(PhPs)in natural biaxial hyperbolic materialα-MoO_(3) has opened up new avenues for mid-infrared nanophotonics,while active tunability ofα-MoO_(3) PhPs is still an urgent problem necessarily to be solved.In this study,we present a theoretical demonstration of actively tuningα-MoO_(3) PhPs using phase change material VO_(2) and graphene.It is observed thatα-MoO_(3) PhPs are greatly dependent on the propagation plane angle of PhPs.The insulator-to-metal phase transition of VO_(2) has a significant effect on the hybridization PhPs of theα-MoO_(3)/VO_(2) structure and allows to obtain actively tunableα-MoO_(3) PhPs,which is especially obvious when the propagation plane angle of PhPs is 900.Moreover,when graphene surface plasmon sources are placed at the top or bottom ofα-MoO_(3) inα-MoO_(3)/VO_(2)structure,tunable coupled hyperbolic plasmon-phonon polaritons inside its Reststrahlen bands(RB s)and surface plasmonphonon polaritons outside its RBs can be achieved.In addition,the above-mentionedα-MoO_(3)-based structures also lead to actively tunable anisotropic spontaneous emission(SE)enhancement.This study may be beneficial for realization of active tunability of both PhPs and SE ofα-MoO_(3),and facilitate a deeper understanding of the mechanisms of anisotropic light-matter interaction inα-MoO_(3) using functional materials.展开更多
Fewest-switches surfacing hopping(FSSH) simulations have been performed with the high-level multi-reference electronic structure method to explore the coupled electronic and nuclear dynamics upon photoexcitation of cy...Fewest-switches surfacing hopping(FSSH) simulations have been performed with the high-level multi-reference electronic structure method to explore the coupled electronic and nuclear dynamics upon photoexcitation of cyanogen bromide(BrCN). The potential energy surfaces(PES) of BrCN are charted as functions of the Jacobi coordinates(R, θ). An indepth examination of the FSSH trajectories reveals the temporal dynamics of the molecule and the population changes of the lowest twelve states during BrCN's photodissociation process, which presents a rich tapestry of dynamical information.Furthermore, the carbon K-edge x-ray absorption spectroscopy(XAS) is calculated with multi-reference inner-shell spectral simulations. The rotation of the CN fragment and the elongation of the C–Br bond are found to be the reason for the peak shifting in the XAS. Our findings offer a nuanced interpretation for inner-shell probe investigations of BrCN, setting the stage for a deeper understanding of the photodissociation process of cyanogen halides molecules.展开更多
AIM:To evaluate the knowledge,attitudes,and practices regarding eye-care seeking practices of visually impaired adults in a rural area Yueqing,and explore factors influencing their behavior.METHODS:A stratified sampli...AIM:To evaluate the knowledge,attitudes,and practices regarding eye-care seeking practices of visually impaired adults in a rural area Yueqing,and explore factors influencing their behavior.METHODS:A stratified sampling method was used to select 48 villages in Yueqing,from which 2400 people were selected to receive vision screenings conducted by oculists during a household visit.Those presenting visual acuity≥0.5 log MAR in either eye completed a self-designed questionnaire investigating their knowledge about medical eye-care seeking,attitudes about eye health and eye-careseeking behavior.RESULTS:Totally 165 people with moderate-to-severe visual impairment were identified(6.9%,165/2400),and 146 eligible participants were recruited(response rate:88.4%,mean age:68.6±15.0 y),among which 88(60.3%)were female.They had 82(56.2%)and 64(43.8%)monocular and binocular visual impairments respectively.A total of 67(45.9%)subjects demonstrated a high knowledge level about medical eye-care seeking and 88(60.3%)had self-rated poor vision,with 23(15%)receiving regular vision checks.The 105(71.9%)subjects had never been to hospital for an eye examination."No need"and"schedule conflicts"were the main reasons for not seeking eye care.Having extensive knowledge of medical eye-care seeking was positively associated with high education levels(OR=3.73,P=0.045)and negatively correlated with older age(OR=0.97,P=0.043).Both the self-perceived vision condition(OR=2.59,P=0.03)and regular vision check behavior(OR=6.50,P<0.01)were related with seeking eye care services.CONCLUSION:In rural Yueqing,intervention is required to increase public knowledge about seeking medical eye care among people with moderate-to-severe visual impairment,especially for the elderly and poorly education.Regular vision checks may be useful to promote their medical eye-care utilization.展开更多
Open framework structures(e.g.,ScF_(3),Sc_(2)W_(3O)_(12),etc.)exhibit significant potential for thermal expansion tailoring owing to their high atomic vibrational degrees of freedom and diverse connectivity between po...Open framework structures(e.g.,ScF_(3),Sc_(2)W_(3O)_(12),etc.)exhibit significant potential for thermal expansion tailoring owing to their high atomic vibrational degrees of freedom and diverse connectivity between polyhedral units,displaying positive/negative thermal expansion(PTE/NTE)coefficients at a certain temperature.Despite the proposal of several physical mechanisms to explain the origin of NTE,an accurate mapping relationship between the structural–compositional properties and thermal expansion behavior is still lacking.This deficiency impedes the rapid evaluation of thermal expansion properties and hinders the design and development of such materials.We developed an algorithm for identifying and characterizing the connection patterns of structural units in open-framework structures and constructed a descriptor set for the thermal expansion properties of this system,which is composed of connectivity and elemental information.Our developed descriptor,aided by machine learning(ML)algorithms,can effectively learn the thermal expansion behavior in small sample datasets collected from literature-reported experimental data(246 samples).The trained model can accurately distinguish the thermal expansion behavior(PTE/NTE),achieving an accuracy of 92%.Additionally,our model predicted six new thermodynamically stable NTE materials,which were validated through first-principles calculations.Our results demonstrate that developing effective descriptors closely related to thermal expansion properties enables ML models to make accurate predictions even on small sample datasets,providing a new perspective for understanding the relationship between connectivity and thermal expansion properties in the open framework structure.The datasets that were used to support these results are available on Science Data Bank,accessible via the link https://doi.org/10.57760/sciencedb.j00113.00100.展开更多
One of the key features required to realize fault-tolerant quantum computation is the robustness of quantum gates against errors.Since geometric quantum gate is naturally insensitivity to noise,it appears to be a prom...One of the key features required to realize fault-tolerant quantum computation is the robustness of quantum gates against errors.Since geometric quantum gate is naturally insensitivity to noise,it appears to be a promising routine to achieve high-fidelity,robust quantum gates.The implementation of geometric quantum gate however faces some troubles such as its complex interaction among multiple energy levels.Moreover,traditional geometric schemes usually take more time than equivalent dynamical ones.Here,we experimentally demonstrate a geometric gate scheme with the time-optimal control(TOC)technique in a superconducting quantum circuit.With a transmon qubit and operations restricted to two computational levels,we implement a set of geometric gates which exhibit better robustness features against control errors than the dynamical counterparts.The measured fidelities of TOC X gate and X/2 gate are 99.81%and 99.79%respectively.Our work shows a promising routine toward scalable fault-tolerant quantum computation.展开更多
Auxetic two-dimensional(2D)materials,known from their negative Poisson's ratios(NPRs),exhibit the unique property of expanding(contracting)longitudinally while being laterally stretched(compressed),contrary to typ...Auxetic two-dimensional(2D)materials,known from their negative Poisson's ratios(NPRs),exhibit the unique property of expanding(contracting)longitudinally while being laterally stretched(compressed),contrary to typical materials.These materials offer improved mechanical characteristics and hold great potential for applications in nanoscale devices such as sensors,electronic skins,and tissue engineering.Despite their promising attributes,the availability of 2D materials with NPRs is limited,as most 2D layered materials possess positive Poisson's ratios.In this study,we employ first-principles high-throughput calculations to systematically explore Poisson's ratios of 40 commonly used 2D monolayer materials,along with various bilayer structures.Our investigation reveals that BP,GeS and GeSe exhibit out-of-plane NPRs due to their hinge-like puckered structures.For 1T-type transition metal dichalcogenides such as M X_(2)(M=Mo,W;X=S,Se,Te)and transition metal selenides/halides the auxetic behavior stems from a combination of geometric and electronic structural factors.Notably,our findings unveil V_(2)O_(5) as a novel material with out-of-plane NPR.This behavior arises primarily from the outward movement of the outermost oxygen atoms triggered by the relaxation of strain energy under uniaxial tensile strain along one of the in-plane directions.Furthermore,our computations demonstrate that Poisson's ratio can be tuned by varying the bilayer structure with distinct stacking modes attributed to interlayer coupling disparities.These results not only furnish valuable insights into designing 2D materials with a controllable NPR but also introduce V_(2)O_(5) as an exciting addition to the realm of auxetic 2D materials,holding promise for diverse nanoscale applications.展开更多
Objective:We sought to identify potential therapeutic targets for breast cancer patients by employing a bioinformatics analysis to screen for genes linked with an unfavorable prognosis.Methods:The Gene Expression Omni...Objective:We sought to identify potential therapeutic targets for breast cancer patients by employing a bioinformatics analysis to screen for genes linked with an unfavorable prognosis.Methods:The Gene Expression Omnibus(GEO)database was utilized to obtain three gene expression profile datasets,namely GSE42568,GSE86374,and GSE71053.To identify differentially expressed genes(DEGs),the GEO2R online tool was employed.Subsequently,a func-tional enrichment analysis was conducted.Moreover,a protein-protein interaction network was established using STRING,and DEGs were subjected to module analysis via Cytoscape software to identify pivotal genes.Additionally,the selected pivotal genes underwent further ex-amination and validation utilizing three databases:GEPIA,UALCAN,and Kaplan-Meier Plotter.Results:A total of 121 DEGs were detected,comprising 74 genes with increased expression and 47 genes with decreased expression.Ten key genes were identified:HMMR,RRM2,CDK1,TOP2A,AURKA,CCNB1,MAD2L1,KIF2C,BUB1B,UBE2C.Validation in the GEPIA database revealed high expression levels for all key genes except CDK1.A survival analysis conducted using the Kaplan-Meier Plotter database revealed noteworthy associations between nine crucial genes and the overall survival(OS)of individuals diagnosed with breast cancer.Moreover,these nine key genes exhibited significantly increased expression across different molecular subtypes of breast cancer according to the UALCAN data platform.Conclusions:We identified nine crucial genes significantly linked to the onset,progression,and unfavorable prognosis of breast cancer,providing potential targets for novel treatment options and biomarkers to predict patient outcomes.展开更多
基金supported by National Natural Science Foundation of China(52172205,52172070 and 51962013)Jiangxi Provincial Science and Technology Projects(20232ACB204009,20223AAE02010,20201BBE51011,jxsq2019201036 and GJJ201319)+3 种基金Innovation Enterprise Program of Shandong Provincial(2023TSGC0469)Guangdong Basic and Applied Basic Research Foundation(2020B1515120002)General Projects of Shenzhen Stable Development(SZWD2021003)University Engineering Research Center of Crystal Growth and Applications of Guangdong Province(2020GCZX005)。
文摘The traditional von Neumann computing architecture has relatively-low information processing speed and high power consumption,making it difficult to meet the computing needs of artificial intelligence(AI).Neuromorphic computing systems,with massively parallel computing capability and low power consumption,have been considered as an ideal option for data storage and AI computing in the future.Memristor,as the fourth basic electronic component besides resistance,capacitance and inductance,is one of the most competitive candidates for neuromorphic computing systems benefiting from the simple structure,continuously adjustable conductivity state,ultra-low power consumption,high switching speed and compatibility with existing CMOS technology.The memristors with applying MXene-based hybrids have attracted significant attention in recent years.Here,we introduce the latest progress in the synthesis of MXene-based hybrids and summarize their potential applications in memristor devices and neuromorphological intelligence.We explore the development trend of memristors constructed by combining MXenes with other functional materials and emphatically discuss the potential mechanism of MXenes-based memristor devices.Finally,the future prospects and directions of MXene-based memristors are briefly described.
基金supported by the National Natural Science Foundation of China(Grant Nos.62321166653,22090044,and 12350410372).Calculations were performed in part at the high-performance computing center of Jilin University.
文摘Inverted perovskite solar cells have gained prominence in industrial advancement due to their easy fabrication,low hysteresis effects,and high stability.Despite these advantages,their efficiency is currently limited by excessive defects and poor carrier transport at the perovskite-electrode interface,particularly at the buried interface between the perovskite and transparent conductive oxide(TCO).Recent efforts in the perovskite community have focused on designing novel self-assembled molecules(SAMs)to improve the quality of the buried interface.However,a notable gap remains in understanding the regulation of atomic-scale interfacial properties of SAMs between the perovskite and TCO interfaces.This understanding is crucial,particularly in terms of identifying chemically active anchoring groups.In this study,we used the star SAM([2-(9H-carbazol-9-yl)ethyl]phosphonic acid)as the base structure to investigate the defect passivation effects of eight common anchoring groups at the perovskite-TCO interface.Our findings indicate that the phosphonic and boric acid groups exhibit notable advantages.These groups fulfill three key criteria:they provide the greatest potential for defect passivation,exhibit stable adsorption with defects,and exert significant regulatory effects on interface dipoles.Ionized anchoring groups exhibit enhanced passivation capabilities for defect energy levels due to their superior Lewis base properties,which effectively neutralize local charges near defects.Among various defect types,iodine vacancies are the easiest to passivate,whereas iodine-substituted lead defects are the most challenging to passivate.Our study provides comprehensive theoretical insights and inspiration for the design of anchoring groups in SAMs,contributing to the ongoing development of more efficient inverted perovskite solar cells.
基金supported by the top talent program of Henan Agricultural University[grant numbers 30501029].
文摘The pursuit of high-performance is worth considerable effort in catalysis for energy efficiency and environmental sustainability. To develop redox catalysts with superior performance for soot combustion, a series of Mn_(x)Co_(y) oxides were synthesized using MgO template substitution.This method greatly improves the preparation and catalytic efficiency and is more in line with the current theme of green catalysts and sustainable development. The resulting Mn_(1)Co_(2.3) has a strong activation capability of gaseous oxygen due to a high concentration of Co^(3+) and Mn^(3+). The Mn doping enhanced the intrinsic activity by prompting oxygen vacancy formation and gaseous oxygen adsorption. The nanosheet morphology with abundant mesoporous significantly increased the solid–solid contact efficiency and improved the adsorption capability of gaseous reactants. The novel design of Mn_(1)Co_(2.3)oxide enhanced its catalytic performance through a synergistic effect of Mn doping and the porous nanosheet morphology, showing significant potential for the preparation of high-performance soot combustion catalysts.
基金financially supported by the Construction Program for Chongqing's Distinctive“Wushancuili”Industry(Grant No.4322200370)Strategic Cooperation Project of Chongqing Municipality and Chinese Academy of Agricultural Sciences(Grant No.4322300181)Fundamental Research Funds for Central Universities-Talent induction project(Grant Nos.SWU-KR22001,SWU-KQ22070)。
文摘Chinese plum(Prunus salicina Lindl.)originates from China and makes a large contribution to the global production of plums.The P.salicina‘Wushancuili'has a green coloration and high fruit quality and is economically important in eliminating poverty and protecting ecology in the Yangtze River Three Gorges Reservoir.However,rain-induced cracking(rain-cracking,literally skin cracking caused by rain)is a limitation to‘Wushancuili'fruit production and causes severe losses.This study reported a high-quality‘Wushancuili'genome assembly consisting of a 302.17-Mb sequence with eight pseudo-chromosomes and a contig N50 of 23.59 Mb through the combination of Illumina sequencing,Pacific Biosciences HiFiⅢsequencing,and high-throughput chromosome conformation capture technology.A total of 25109 protein-coding genes are predicted and 54.17%of the genome is composed of repetitive sequences.‘Wushancuili'underwent a remarkable orthoselection during evolution.Gene identification revealed that loss-of-function in four core MYB10 genes results in the anthocyanin deficiency and absence of red color,revealing the green coloration due to the residual high chlorophyll in fruit skin.Besides,the occurrence of cracking is assumed to be closely associated with cell wall modification and frequently rain-induced pathogen enrichment through transcriptomic analysis.The loss of MYB10 genes might render fruit more susceptible to pathogen-mediated cracking by weakening the epidermal strength and reactive oxygen species(ROS)scavenging.Our findings provided fundamental knowledge regarding fruit coloration and rain-cracking and will facilitate genetic improvement and cultivation management in Chinese plums.
基金Project supported by the National Natural Science Foundation of China (Grant Nos.52204258 and 52106099)the Postdoctoral Research Foundation of China (Grant No.2023M743779)+2 种基金the Fundamental Research Funds for the Central Universities (Grant No.2022QN1017)the Key Research Development Projects in Xinjiang Uygur Autonomous Region (Grant No.2022B03003-3)the Shandong Provincial Natural Science Foundation (Grant No.ZR2020LLZ004)。
文摘Anisotropic hyperbolic phonon polaritons(PhPs)in natural biaxial hyperbolic materialα-MoO_(3) has opened up new avenues for mid-infrared nanophotonics,while active tunability ofα-MoO_(3) PhPs is still an urgent problem necessarily to be solved.In this study,we present a theoretical demonstration of actively tuningα-MoO_(3) PhPs using phase change material VO_(2) and graphene.It is observed thatα-MoO_(3) PhPs are greatly dependent on the propagation plane angle of PhPs.The insulator-to-metal phase transition of VO_(2) has a significant effect on the hybridization PhPs of theα-MoO_(3)/VO_(2) structure and allows to obtain actively tunableα-MoO_(3) PhPs,which is especially obvious when the propagation plane angle of PhPs is 900.Moreover,when graphene surface plasmon sources are placed at the top or bottom ofα-MoO_(3) inα-MoO_(3)/VO_(2)structure,tunable coupled hyperbolic plasmon-phonon polaritons inside its Reststrahlen bands(RB s)and surface plasmonphonon polaritons outside its RBs can be achieved.In addition,the above-mentionedα-MoO_(3)-based structures also lead to actively tunable anisotropic spontaneous emission(SE)enhancement.This study may be beneficial for realization of active tunability of both PhPs and SE ofα-MoO_(3),and facilitate a deeper understanding of the mechanisms of anisotropic light-matter interaction inα-MoO_(3) using functional materials.
基金supported by the start-up funding of ShanghaiTech University in Chinasupported by a user project at the Molecular Foundry (LBNL) and its computing resources administered by the High-Performance Computing Services Group at LBNL+2 种基金supported by the Office of Science and Office of Basic Energy Sciences of the U.S.Department of Energy (Grant No.DE-AC02-05CH11231)the National Energy Research Scientific Computing Center (NERSC),a U.S.Department of Energy Office of Science User Facility located at Lawrence Berkeley National Laboratory (Grant No.DE-AC02-05CH11231)supported by the High-Performance Computing (HPC) Platform of ShanghaiTech University。
文摘Fewest-switches surfacing hopping(FSSH) simulations have been performed with the high-level multi-reference electronic structure method to explore the coupled electronic and nuclear dynamics upon photoexcitation of cyanogen bromide(BrCN). The potential energy surfaces(PES) of BrCN are charted as functions of the Jacobi coordinates(R, θ). An indepth examination of the FSSH trajectories reveals the temporal dynamics of the molecule and the population changes of the lowest twelve states during BrCN's photodissociation process, which presents a rich tapestry of dynamical information.Furthermore, the carbon K-edge x-ray absorption spectroscopy(XAS) is calculated with multi-reference inner-shell spectral simulations. The rotation of the CN fragment and the elongation of the C–Br bond are found to be the reason for the peak shifting in the XAS. Our findings offer a nuanced interpretation for inner-shell probe investigations of BrCN, setting the stage for a deeper understanding of the photodissociation process of cyanogen halides molecules.
基金Supported by the Science and Technology Benefiting Program of Zhejiang Province(No.2014H01007)the Zhejiang Medical Science and Technology Program(No.2018KY543)。
文摘AIM:To evaluate the knowledge,attitudes,and practices regarding eye-care seeking practices of visually impaired adults in a rural area Yueqing,and explore factors influencing their behavior.METHODS:A stratified sampling method was used to select 48 villages in Yueqing,from which 2400 people were selected to receive vision screenings conducted by oculists during a household visit.Those presenting visual acuity≥0.5 log MAR in either eye completed a self-designed questionnaire investigating their knowledge about medical eye-care seeking,attitudes about eye health and eye-careseeking behavior.RESULTS:Totally 165 people with moderate-to-severe visual impairment were identified(6.9%,165/2400),and 146 eligible participants were recruited(response rate:88.4%,mean age:68.6±15.0 y),among which 88(60.3%)were female.They had 82(56.2%)and 64(43.8%)monocular and binocular visual impairments respectively.A total of 67(45.9%)subjects demonstrated a high knowledge level about medical eye-care seeking and 88(60.3%)had self-rated poor vision,with 23(15%)receiving regular vision checks.The 105(71.9%)subjects had never been to hospital for an eye examination."No need"and"schedule conflicts"were the main reasons for not seeking eye care.Having extensive knowledge of medical eye-care seeking was positively associated with high education levels(OR=3.73,P=0.045)and negatively correlated with older age(OR=0.97,P=0.043).Both the self-perceived vision condition(OR=2.59,P=0.03)and regular vision check behavior(OR=6.50,P<0.01)were related with seeking eye care services.CONCLUSION:In rural Yueqing,intervention is required to increase public knowledge about seeking medical eye care among people with moderate-to-severe visual impairment,especially for the elderly and poorly education.Regular vision checks may be useful to promote their medical eye-care utilization.
基金supported by the Graduate Research Innovation Project of Tianjin University of Traditional Chinese Medicine(YJSKC-20191001)the Graduate Research Innovation Project of Tianjin(JJ1901010302).
基金the National Natural Science Foundation of China(Grant Nos.12004131,22090044,62125402,and 92061113)。
文摘Open framework structures(e.g.,ScF_(3),Sc_(2)W_(3O)_(12),etc.)exhibit significant potential for thermal expansion tailoring owing to their high atomic vibrational degrees of freedom and diverse connectivity between polyhedral units,displaying positive/negative thermal expansion(PTE/NTE)coefficients at a certain temperature.Despite the proposal of several physical mechanisms to explain the origin of NTE,an accurate mapping relationship between the structural–compositional properties and thermal expansion behavior is still lacking.This deficiency impedes the rapid evaluation of thermal expansion properties and hinders the design and development of such materials.We developed an algorithm for identifying and characterizing the connection patterns of structural units in open-framework structures and constructed a descriptor set for the thermal expansion properties of this system,which is composed of connectivity and elemental information.Our developed descriptor,aided by machine learning(ML)algorithms,can effectively learn the thermal expansion behavior in small sample datasets collected from literature-reported experimental data(246 samples).The trained model can accurately distinguish the thermal expansion behavior(PTE/NTE),achieving an accuracy of 92%.Additionally,our model predicted six new thermodynamically stable NTE materials,which were validated through first-principles calculations.Our results demonstrate that developing effective descriptors closely related to thermal expansion properties enables ML models to make accurate predictions even on small sample datasets,providing a new perspective for understanding the relationship between connectivity and thermal expansion properties in the open framework structure.The datasets that were used to support these results are available on Science Data Bank,accessible via the link https://doi.org/10.57760/sciencedb.j00113.00100.
基金Project supported by the Key Research and Development Program of Guangdong Province,China(Grant No.2018B030326001)the National Natural Science Foundation of China(Grant Nos.11474152,12074179,U21A20436,and 61521001)the Natural Science Foundation of Jiangsu Province,China(Grant No.BE2021015-1)。
文摘One of the key features required to realize fault-tolerant quantum computation is the robustness of quantum gates against errors.Since geometric quantum gate is naturally insensitivity to noise,it appears to be a promising routine to achieve high-fidelity,robust quantum gates.The implementation of geometric quantum gate however faces some troubles such as its complex interaction among multiple energy levels.Moreover,traditional geometric schemes usually take more time than equivalent dynamical ones.Here,we experimentally demonstrate a geometric gate scheme with the time-optimal control(TOC)technique in a superconducting quantum circuit.With a transmon qubit and operations restricted to two computational levels,we implement a set of geometric gates which exhibit better robustness features against control errors than the dynamical counterparts.The measured fidelities of TOC X gate and X/2 gate are 99.81%and 99.79%respectively.Our work shows a promising routine toward scalable fault-tolerant quantum computation.
基金supported by the National Key Research and Development Program of China(Grant No.2022YFA1402500)Calculations were performed in part at High-Performance Computing Center,Jilin University。
文摘Auxetic two-dimensional(2D)materials,known from their negative Poisson's ratios(NPRs),exhibit the unique property of expanding(contracting)longitudinally while being laterally stretched(compressed),contrary to typical materials.These materials offer improved mechanical characteristics and hold great potential for applications in nanoscale devices such as sensors,electronic skins,and tissue engineering.Despite their promising attributes,the availability of 2D materials with NPRs is limited,as most 2D layered materials possess positive Poisson's ratios.In this study,we employ first-principles high-throughput calculations to systematically explore Poisson's ratios of 40 commonly used 2D monolayer materials,along with various bilayer structures.Our investigation reveals that BP,GeS and GeSe exhibit out-of-plane NPRs due to their hinge-like puckered structures.For 1T-type transition metal dichalcogenides such as M X_(2)(M=Mo,W;X=S,Se,Te)and transition metal selenides/halides the auxetic behavior stems from a combination of geometric and electronic structural factors.Notably,our findings unveil V_(2)O_(5) as a novel material with out-of-plane NPR.This behavior arises primarily from the outward movement of the outermost oxygen atoms triggered by the relaxation of strain energy under uniaxial tensile strain along one of the in-plane directions.Furthermore,our computations demonstrate that Poisson's ratio can be tuned by varying the bilayer structure with distinct stacking modes attributed to interlayer coupling disparities.These results not only furnish valuable insights into designing 2D materials with a controllable NPR but also introduce V_(2)O_(5) as an exciting addition to the realm of auxetic 2D materials,holding promise for diverse nanoscale applications.
基金funded by the National Natural Science Program Foundation of China(No.81260341)the Guangxi Natural Science Program Foundation(No.2017JJA10173).
文摘Objective:We sought to identify potential therapeutic targets for breast cancer patients by employing a bioinformatics analysis to screen for genes linked with an unfavorable prognosis.Methods:The Gene Expression Omnibus(GEO)database was utilized to obtain three gene expression profile datasets,namely GSE42568,GSE86374,and GSE71053.To identify differentially expressed genes(DEGs),the GEO2R online tool was employed.Subsequently,a func-tional enrichment analysis was conducted.Moreover,a protein-protein interaction network was established using STRING,and DEGs were subjected to module analysis via Cytoscape software to identify pivotal genes.Additionally,the selected pivotal genes underwent further ex-amination and validation utilizing three databases:GEPIA,UALCAN,and Kaplan-Meier Plotter.Results:A total of 121 DEGs were detected,comprising 74 genes with increased expression and 47 genes with decreased expression.Ten key genes were identified:HMMR,RRM2,CDK1,TOP2A,AURKA,CCNB1,MAD2L1,KIF2C,BUB1B,UBE2C.Validation in the GEPIA database revealed high expression levels for all key genes except CDK1.A survival analysis conducted using the Kaplan-Meier Plotter database revealed noteworthy associations between nine crucial genes and the overall survival(OS)of individuals diagnosed with breast cancer.Moreover,these nine key genes exhibited significantly increased expression across different molecular subtypes of breast cancer according to the UALCAN data platform.Conclusions:We identified nine crucial genes significantly linked to the onset,progression,and unfavorable prognosis of breast cancer,providing potential targets for novel treatment options and biomarkers to predict patient outcomes.