As a novel class of purely organic fluores-cent materials,multiple resonance thermal-ly activated delayed fluorescence(MR-TADF)compounds hold significant promise for next-generation display technologies.The efficiency...As a novel class of purely organic fluores-cent materials,multiple resonance thermal-ly activated delayed fluorescence(MR-TADF)compounds hold significant promise for next-generation display technologies.The efficiency of exciton utilization and the overall performance of organic light-emit-ting devices are closely linked to the singlet-triplet energy gap(ΔE_(ST))of MR-TADF emitters.Identifying an economic and accu-rate theoretical approach to predictΔE_(ST)would be beneficial for high-throughput screening and facilitate the inverse design of MR-TADF molecules.In this study,we evaluated the S_(1)state energy(E(S_(1))),T_(1)state ener-gy(E(T_(1))),andΔE_(ST)using three different physical interpretations:adiabatic excitation ener-gy,vertical absorption energy,and vertical emission energy.We employed the time-depen-dent density functional theory(TDDFT)and delta self-consistent field(ΔSCF)methods to calculate E(S_(1)),E(T_(1)),andΔE_(ST)for 20 MR-TADF molecules reported in the literature.We compared these calculated values with experimental data obtained from fluorescence spec-troscopy at room-temperature(or 77 K)and phosphorescence spectroscopy conducted at 77 K.Our findings indicate that the vertical absorption energy at the S0 state minimum,deter-mined by theΔSCF method,accurately predicts the S_(1)state energy.Similarly,the vertical absorption energy at the S0 state minimum,calculated using the TDDFT method,effectively predicts the T_(1)state energy.TheΔE_(ST)derived from the difference between these two excita-tion energies exhibited the smallest mean absolute error of only 0.039 eV compared to the ex-perimental values.This combination represents the most accurate and cost-effective method reported to date for predicting theΔE_(ST)of MR-TADF molecules,and can be integrated into AI-driven inverse design workflows for new emitters.展开更多
A growing global population and the increasing prevalence of diet-related health issues such as“hidden hunger”,obesity,hypertension,and diabetes necessitate a fundamental rethinking of crop design and breeding.Synth...A growing global population and the increasing prevalence of diet-related health issues such as“hidden hunger”,obesity,hypertension,and diabetes necessitate a fundamental rethinking of crop design and breeding.Synthetic metabolic engineering offers a method to modify and redesign metabolic pathways to increase the nutritional value of crops.We summarize recent advances in the biofortification of key nutrients including provitamin A,vitamin C,vitamin B9,iron,zinc,anthocyanins,flavonoids,and unsaturated fatty acids.We discuss the potential of multi-gene stacking,gene editing,enzyme engineering,and artificial intelligence in synthetic metabolic engineering.We propose future research directions and potential solutions centered on leveraging AI-driven systems biology,precision gene editing,enzyme engineering,agrobacterium-mediated genotype-independent transformation,and modular metabolic engineering strategies to develop next-generation nutritionally enhanced super crops and transform global food systems.展开更多
This study investigates the properties of high-purity starches extracted from Polygonum multiflorum(PMS)and Smilax glabra(SGS).The starches were characterized by scanning electron microscopy,Fouriertransform infrared ...This study investigates the properties of high-purity starches extracted from Polygonum multiflorum(PMS)and Smilax glabra(SGS).The starches were characterized by scanning electron microscopy,Fouriertransform infrared spectroscopy,X-ray diffraction,high-performance anion-exchange chromatography,and differential scanning calorimetry.Significant differences were observed in their morphological,physicochemical,and functional properties.PMS had a smaller particle size(13.68 μm),irregular polygonal shape,A-type,lower water absorption(62.67 %),and higher oil absorption(51.17 %).In contrast,SGS exhibited larger particles(31.75 μm),a nearly spherical shape,B-type,higher crystallinity(50.66 %),and greater amylose content(21.54 %),with superior thermal stability,shear resistance,and gelatinization enthalpy.SGS also contained higher resistant starch(83.28 %) and longer average chain length(20.58 %),but showed lower solubility,swelling power,light transmittance,and freeze-thaw stability.The physicochemical properties differences in crystal pattern and particle morphology between PMS and SGS lead to distinct behaviors during in vitro digestion and fermentation.These findings highlight the potential of medicinal plant starches in functional ingredients and industrial processes.展开更多
Gauss radial basis functions(GRBF)are frequently employed in data fitting and machine learning.Their linear independence property can theoretically guarantee the avoidance of data redundancy.In this paper,one of the m...Gauss radial basis functions(GRBF)are frequently employed in data fitting and machine learning.Their linear independence property can theoretically guarantee the avoidance of data redundancy.In this paper,one of the main contributions is proving this property using linear algebra instead of profound knowledge.This makes it easy to read and understand this fundamental fact.The proof of linear independence of a set of Gauss functions relies on the constructing method for one-dimensional space and on the deducing method for higher dimensions.Additionally,under the condition of preserving the same moments between the original function and interpolating function,both the interpolating existence and uniqueness are proven for GRBF in one-dimensional space.The final work demonstrates the application of the GRBF method to locate lunar olivine.By combining preprocessed data using GRBF with the removing envelope curve method,a program is created to find the position of lunar olivine based on spectrum data,and the numerical experiment shows that it is an effective scheme.展开更多
Titanium-based semiconductors are known for their high chemical stability and suitable band gap widths.However,the conventional experimental screening methods are inefficient due to the wide variety of materials.To sp...Titanium-based semiconductors are known for their high chemical stability and suitable band gap widths.However,the conventional experimental screening methods are inefficient due to the wide variety of materials.To speed up the selection process,this work focuses on interpretable feature learning and band gap prediction for titanium-based semiconductors.First,titanium compounds were selected from the Materials Project database by machine learning,and elemental features were extracted using the Magpie descriptors.Then,principal component analysis(PCA)was applied to reduce the data dimensionality,creating a representative dataset.Meantime,heatmaps and SHAP(SHapley Additive exPlanations)methods were used to demonstrate the influence of key features such as electronegativity,covalent radius,period number,and unit cell volume on the bandgap,understanding the relationship between the material’s properties and performance.After comparing different machine learning models,including Random Forest(RF),Support Vector Machines(SVM),Linear Regression(LR),and Gradient Boosting Regression(GBR),the RF was found to be the most accurate for band gap prediction.Finally,the model performance was improved through parameter tuning,showing high accuracy.These findings provide strong data support and design guidance for the development of materials in fields like photocatalysis and solar cells.展开更多
Saikosaponins are the major pharmacologically active components in Bupleurum genus and exhibit significant application potential in multiple fields such as immune regulation and anti-tumor activity.To elucidate the bi...Saikosaponins are the major pharmacologically active components in Bupleurum genus and exhibit significant application potential in multiple fields such as immune regulation and anti-tumor activity.To elucidate the biosynthetic pathway of saikosaponins,we identified two cytochrome P450 monooxygenases,CYP716A41 and CYP716Y4,in Bupleurum chinense.These enzymes catalyze the C-28 oxidation and C-16 hydroxylation of oleanane-type triterpene skeletons,respectively.The catalytic efficiency of CYP716A41 from a southern B.chinense variety was significantly higher than that from a northern variety.Molecular docking and mutagenesis experiments revealed that amino acid residues at sites 9 and 35 may contribute to this difference in catalytic efficiency.Additionally,under cold stress,the expression levels of both CYP450 genes and the saikosaponin contents in the leaves of southern varieties were significantly higher compared to those in northern varieties.The variation in the catalytic efficiency of CYP716A41 and the differential expression of the two CYP450 genes under cold stress during winter are associated with the differences in saikosaponin biosynthesis in the leaves of southern and northern B.chinense varieties.This is consistent with the distinct medicinal usage practices observed between southern and northern China.展开更多
Spinal cord injury represents a severe form of central nervous system trauma for which effective treatments remain limited.Microglia is the resident immune cells of the central nervous system,play a critical role in s...Spinal cord injury represents a severe form of central nervous system trauma for which effective treatments remain limited.Microglia is the resident immune cells of the central nervous system,play a critical role in spinal cord injury.Previous studies have shown that microglia can promote neuronal survival by phagocytosing dead cells and debris and by releasing neuroprotective and anti-inflammatory factors.However,excessive activation of microglia can lead to persistent inflammation and contribute to the formation of glial scars,which hinder axonal regeneration.Despite this,the precise role and mechanisms of microglia during the acute phase of spinal cord injury remain controversial and poorly understood.To elucidate the role of microglia in spinal cord injury,we employed the colony-stimulating factor 1 receptor inhibitor PLX5622 to deplete microglia.We observed that sustained depletion of microglia resulted in an expansion of the lesion area,downregulation of brain-derived neurotrophic factor,and impaired functional recovery after spinal cord injury.Next,we generated a transgenic mouse line with conditional overexpression of brain-derived neurotrophic factor specifically in microglia.We found that brain-derived neurotrophic factor overexpression in microglia increased angiogenesis and blood flow following spinal cord injury and facilitated the recovery of hindlimb motor function.Additionally,brain-derived neurotrophic factor overexpression in microglia reduced inflammation and neuronal apoptosis during the acute phase of spinal cord injury.Furthermore,through using specific transgenic mouse lines,TMEM119,and the colony-stimulating factor 1 receptor inhibitor PLX73086,we demonstrated that the neuroprotective effects were predominantly due to brain-derived neurotrophic factor overexpression in microglia rather than macrophages.In conclusion,our findings suggest the critical role of microglia in the formation of protective glial scars.Depleting microglia is detrimental to recovery of spinal cord injury,whereas targeting brain-derived neurotrophic factor overexpression in microglia represents a promising and novel therapeutic strategy to enhance motor function recovery in patients with spinal cord injury.展开更多
Nickel-catalyzed borylation of aryl nonaflates with B2pin2 could be realized,which proceeded effectively by means of C—O bond functionalization to afford a wide variety of valuable arylboronates in moderate to excell...Nickel-catalyzed borylation of aryl nonaflates with B2pin2 could be realized,which proceeded effectively by means of C—O bond functionalization to afford a wide variety of valuable arylboronates in moderate to excellent yields with good functionality compatibility.In addition,the gram-scale synthesis and the application of the approach in the late-stage elaboration of aryl nonaflate derived from pterostilbene could also be achieved.展开更多
Let K_(j)/Q,1≤j≤ν,ν≥2 be quadratic fields with pairwise coprime discriminants Dj,and let τ_(kj)^(K_(j))(n)be the divisor function associated to Dedekind zeta function SK_(j)(s).In this paper,we consider a multid...Let K_(j)/Q,1≤j≤ν,ν≥2 be quadratic fields with pairwise coprime discriminants Dj,and let τ_(kj)^(K_(j))(n)be the divisor function associated to Dedekind zeta function SK_(j)(s).In this paper,we consider a multidimensional general divisor problem related to the τ_(kj)^(K_(j))(n)involving several number fields over square integers,by establishing the corresponding asymptotic formula.As an application,we also obtain the asymptotic formula of variance of these coefi icients.展开更多
In recent years,researchers have extensively investigated the Hankel determinant,which consists of coefficients appearing in a holomorphic function’s Taylor-Maclaurin series.Hankel matrices are widely used in Markov ...In recent years,researchers have extensively investigated the Hankel determinant,which consists of coefficients appearing in a holomorphic function’s Taylor-Maclaurin series.Hankel matrices are widely used in Markov processes,non-stationary signals,and other mathematical disciplines.The aim of the current research article is to first improve the bounds of coefficient-related problems by employing the well-known Carathéodory function.The problems that we are going to improve were obtained by Tang et al.The sharp estimates of the most difficult problem of geometric function theory known as the third-order Hankel determinant are also contributed here.Zalcman and Fekete-Szegöinequalities are also studied here for the defined family of holomorphic functions.展开更多
Existing load forecasting methods typically assume that recent load data are available for prediction.This is not in conformity with reality since there is a time gap between the flow date(when power is consumed)and w...Existing load forecasting methods typically assume that recent load data are available for prediction.This is not in conformity with reality since there is a time gap between the flow date(when power is consumed)and when measurement values are obtained.To this end,this letter proposes an online learning-based probabilistic load forecasting method considering the impact of the data gap.Specifically,an adaptive ensemble backpropagation-enabled online quantile regression algorithm is developed to optimize the parameters of the attention network recursively using the newly obtained load observations.To further improve the reliability and sharpness of prediction intervals under significant data gaps,we introduce an online interval calibration technique.The proposed online learning method allows us to adaptively capture the dynamic changes in load patterns and alleviate the information lags caused by data gaps.Comparative tests utilizing real-world datasets reveal the superiority of the proposed method.展开更多
This study aims to explore the impact of fatigue induced by different limb exercises on cerebral cortical oxygenation levels and functional connectivity strength using functional near-infrared spectroscopy(fNIRS).Fati...This study aims to explore the impact of fatigue induced by different limb exercises on cerebral cortical oxygenation levels and functional connectivity strength using functional near-infrared spectroscopy(fNIRS).Fatigue was induced using an upper limb ergometer or a lower limb ergometer,with the load increasing gradually each minute.fNIRS covering the prefrontal cortex and motor cortex were used to collect data during the resting state,both before and after fatigue induction.A two-way ANOVA was conducted to examine differences in oxyhemoglobin(HbO_(2))and functional connectivity before and after fatigue induction in both groups,with the significance level set at 0.05.Exercise-induced fatigue in both the upper and lower limbs leads to a significant decrease in cerebral cortical oxygenation levels.Upper limb fatigue leads to a significant reduction in functional connectivity,there were significant decreases in connectivity within the motor cortex,between the motor cortex and frontal regions,and between the right ventrolateral prefrontal cortex and other frontal regions.Conversely,no significant changes were observed before and after lower limb fatigue.Future studies should focus on examining the extent to which how changes in the cerebral cortex,induced by exercise fatigue,are linked to exercise-and/or performance-related outcomes.展开更多
Functional gastrointestinal disorders(FGIDs),including irritable bowel syndrome(IBS),functional dyspepsia(FD),and gastroesophageal reflux disease(GERD),present persistent diagnostic and therapeutic challenges due to s...Functional gastrointestinal disorders(FGIDs),including irritable bowel syndrome(IBS),functional dyspepsia(FD),and gastroesophageal reflux disease(GERD),present persistent diagnostic and therapeutic challenges due to symptom heterogeneity and the absence of reliable biomarkers.Artificial intelligence(AI)enables the integration of multimodal data to enhance FGID management through precision diagnostics and preventive healthcare.This minireview summarizes recent advancements in AI applications for FGIDs,highlighting progress in diagnostic accuracy,subtype classification,personalized interventions,and preventive strategies inspired by the traditional Chinese medicine concept of“treating the undiseased”.Machine learning and deep learning algorithms have demonstrated value in improving IBS diagnosis,refining FD neuro-gastrointestinal subtyping,and screening for GERD-related complications.Moreover,AI supports dietary,psychological,and integrative medicine-based interventions to improve patient adherence and quality of life.Nonetheless,key challenges remain,including data heterogeneity,limited model interpretability,and the need for robust clinical validation.Future directions emphasize interdisciplinary collaboration,the development of multimodal and explainable AI models,and the creation of patientcentered platforms to facilitate a shift from reactive treatment to proactive prevention.This review provides a systematic framework to guide the clinical application and theoretical innovation of AI in FGIDs.展开更多
Relaxation processes in quantum systems coupled to external environments represent one of the most fundamental nonequilibrium phenomena in condensed matter physics.The Lindblad master equation provides a powerful fram...Relaxation processes in quantum systems coupled to external environments represent one of the most fundamental nonequilibrium phenomena in condensed matter physics.The Lindblad master equation provides a powerful framework for characterizing such open quantum dynamics.In this work,we systematically investigate how different types of quantum jump operators and system geometries influence the Liouvillian gap and the properties of the nonequilibrium steady state(NESS)in finite-size systems.We demonstrate that,due to the intricate structure of the Liouvillian superoperator,multiple NESSs with unphysical characteristics can emerge.The physically meaningful steady state must instead be understood as a superposition of these NESSs that collectively satisfy the required physical constraints.Furthermore,we find that the Liouvillian gap does not necessarily increase monotonically with the system-environment coupling strength.Instead,it can exhibit a nontrivial peak structure,corresponding to a minimum in the relaxation time.The magnitude of this peak is closely related to the symmetry properties of the system.Our results provide a deeper understanding of nonequilibrium behavior in finite quantum systems and offer new insights into the design and control of open quantum dynamics.展开更多
Correlation function of acceleration responses-based damage identificationmethods has been developed and employed,while they still face the difficulty in identifying local orminor structural damages.To deal with this ...Correlation function of acceleration responses-based damage identificationmethods has been developed and employed,while they still face the difficulty in identifying local orminor structural damages.To deal with this issue,a robust structural damage identification method is developed,integrating a modified holistic swarm optimization(MHSO)algorithm with a hybrid objective function.The MHSO is developed by combining Hammersley sequencebased population initialization,chaotic search around the worst solution,and Hooke-Jeeves pattern search around the best solution,thereby improving both global exploration and local exploitation capabilities.A hybrid objective function is constructed by merging acceleration correlation function-based and strain correlation function-based objective functions,effectively leveraging the complementary sensitivities of global and local responses.To further suppress spurious solutions and promote sparsity in parameter estimation,an additional L0.5 regularization term is introduced.The effectiveness of the proposed method is validated through numerical simulations on a simply supported beam and a steel girder benchmark structure.Comparative studies with sequential quadratic programming,genetic algorithm,andHSO demonstrate that theMHSOachieves superior accuracy and convergence efficiency,even with limited sensors and 20%noise-contaminated measurements.Results highlight that the hybrid objective function significantly enhances the detection of both major and minor damages,while the inclusion of sparse regularization improves robustness against noise and model uncertainties.The findings indicate that the proposed framework provides a reliable and computationally efficient solution for simultaneous localization and quantification of structural damages,offering promising applicability to real-world structural health monitoring scenarios.展开更多
In molybdenum chemistry,the oxidative addition of o-quinone or 1,2-dicarbonyl compounds to molybdenum has been widely used in Mo-catalyzed C—C bond construction.The carbonyl oxidative addition to Mo(0)or Mo(Ⅱ)is the...In molybdenum chemistry,the oxidative addition of o-quinone or 1,2-dicarbonyl compounds to molybdenum has been widely used in Mo-catalyzed C—C bond construction.The carbonyl oxidative addition to Mo(0)or Mo(Ⅱ)is the critical elementary reaction of molybdenum catalysis.However,the relevant density functional theory(DFT)studies are relatively scarce,especially regarding the rational selection of functionals.In this work,14 functionals were employed to investigate the Mo-catalyzed carbonyl oxidative addition step.A benchmark study was carried out to evaluate their performance in structure optimization and energy calculation.Analyses of mean absolute error(MAE)and mean squared error(MSE)indicated that the B3LYP-D3(BJ),TPSSh,and ωB97X-D functionals exhibited superior performance in structure optimization.Using the DLPNO-CCSD(T)functional as the reference,the M06,M06-L,and MN15-L functionals exhibited good performance for energy calculation based on the structures optimized using the B3LYP-D3(BJ)functional.In particular,MN15-L provided the best performance with the smallest MAE and MSE.展开更多
Aspergillus species are ubiquitous fungi that produce mycotoxins(secondary metabolites)known as sterigmatocystin and aflatoxins in many different kinds of foods,which leads to serious contamination in agricultural pro...Aspergillus species are ubiquitous fungi that produce mycotoxins(secondary metabolites)known as sterigmatocystin and aflatoxins in many different kinds of foods,which leads to serious contamination in agricultural products,thereby endangering human health.Extensive studies on Aspergillus fungi have been conducted on growth and development,aflatoxin biosynthesis,and their interactions with environment.Here,we summarized a series of functional genes of the main Aspergillus fungi relative to toxins occurrence in foods,which revealed the signal transduction mechanisms of their involvement in growth and development,toxin production,and response to light,anticipating providing theoretical guidance on developing control and prevention technologies for mycotoxin contamination in agricultural products to ensure food safety.展开更多
基金support provided by the National Natural Science Foundation of China(No.22273043).
文摘As a novel class of purely organic fluores-cent materials,multiple resonance thermal-ly activated delayed fluorescence(MR-TADF)compounds hold significant promise for next-generation display technologies.The efficiency of exciton utilization and the overall performance of organic light-emit-ting devices are closely linked to the singlet-triplet energy gap(ΔE_(ST))of MR-TADF emitters.Identifying an economic and accu-rate theoretical approach to predictΔE_(ST)would be beneficial for high-throughput screening and facilitate the inverse design of MR-TADF molecules.In this study,we evaluated the S_(1)state energy(E(S_(1))),T_(1)state ener-gy(E(T_(1))),andΔE_(ST)using three different physical interpretations:adiabatic excitation ener-gy,vertical absorption energy,and vertical emission energy.We employed the time-depen-dent density functional theory(TDDFT)and delta self-consistent field(ΔSCF)methods to calculate E(S_(1)),E(T_(1)),andΔE_(ST)for 20 MR-TADF molecules reported in the literature.We compared these calculated values with experimental data obtained from fluorescence spec-troscopy at room-temperature(or 77 K)and phosphorescence spectroscopy conducted at 77 K.Our findings indicate that the vertical absorption energy at the S0 state minimum,deter-mined by theΔSCF method,accurately predicts the S_(1)state energy.Similarly,the vertical absorption energy at the S0 state minimum,calculated using the TDDFT method,effectively predicts the T_(1)state energy.TheΔE_(ST)derived from the difference between these two excita-tion energies exhibited the smallest mean absolute error of only 0.039 eV compared to the ex-perimental values.This combination represents the most accurate and cost-effective method reported to date for predicting theΔE_(ST)of MR-TADF molecules,and can be integrated into AI-driven inverse design workflows for new emitters.
基金supported by grants from the Guangxi Science and Technology Major Project(GKAA24206023)the Biological Breeding-National Science and Technology Major Project(2024ZD04077)+2 种基金the National Natural Science Foundation of China(32272120)the National Key Research and Development Program of China(2024YFF1000800)the Guangdong Basic Research Center of Excellence for Precise Breeding of Future Crops Major Project(FCBRCE-202502,FCBRCE-202504).
文摘A growing global population and the increasing prevalence of diet-related health issues such as“hidden hunger”,obesity,hypertension,and diabetes necessitate a fundamental rethinking of crop design and breeding.Synthetic metabolic engineering offers a method to modify and redesign metabolic pathways to increase the nutritional value of crops.We summarize recent advances in the biofortification of key nutrients including provitamin A,vitamin C,vitamin B9,iron,zinc,anthocyanins,flavonoids,and unsaturated fatty acids.We discuss the potential of multi-gene stacking,gene editing,enzyme engineering,and artificial intelligence in synthetic metabolic engineering.We propose future research directions and potential solutions centered on leveraging AI-driven systems biology,precision gene editing,enzyme engineering,agrobacterium-mediated genotype-independent transformation,and modular metabolic engineering strategies to develop next-generation nutritionally enhanced super crops and transform global food systems.
基金supported by the National Natural Science Foundation of China (No.82174074)。
文摘This study investigates the properties of high-purity starches extracted from Polygonum multiflorum(PMS)and Smilax glabra(SGS).The starches were characterized by scanning electron microscopy,Fouriertransform infrared spectroscopy,X-ray diffraction,high-performance anion-exchange chromatography,and differential scanning calorimetry.Significant differences were observed in their morphological,physicochemical,and functional properties.PMS had a smaller particle size(13.68 μm),irregular polygonal shape,A-type,lower water absorption(62.67 %),and higher oil absorption(51.17 %).In contrast,SGS exhibited larger particles(31.75 μm),a nearly spherical shape,B-type,higher crystallinity(50.66 %),and greater amylose content(21.54 %),with superior thermal stability,shear resistance,and gelatinization enthalpy.SGS also contained higher resistant starch(83.28 %) and longer average chain length(20.58 %),but showed lower solubility,swelling power,light transmittance,and freeze-thaw stability.The physicochemical properties differences in crystal pattern and particle morphology between PMS and SGS lead to distinct behaviors during in vitro digestion and fermentation.These findings highlight the potential of medicinal plant starches in functional ingredients and industrial processes.
基金Supported by the National Basic Research Program of China(2012CB025904)Zhengzhou Shengda University of Economics,Business and Management(SD-YB2025085)。
文摘Gauss radial basis functions(GRBF)are frequently employed in data fitting and machine learning.Their linear independence property can theoretically guarantee the avoidance of data redundancy.In this paper,one of the main contributions is proving this property using linear algebra instead of profound knowledge.This makes it easy to read and understand this fundamental fact.The proof of linear independence of a set of Gauss functions relies on the constructing method for one-dimensional space and on the deducing method for higher dimensions.Additionally,under the condition of preserving the same moments between the original function and interpolating function,both the interpolating existence and uniqueness are proven for GRBF in one-dimensional space.The final work demonstrates the application of the GRBF method to locate lunar olivine.By combining preprocessed data using GRBF with the removing envelope curve method,a program is created to find the position of lunar olivine based on spectrum data,and the numerical experiment shows that it is an effective scheme.
文摘Titanium-based semiconductors are known for their high chemical stability and suitable band gap widths.However,the conventional experimental screening methods are inefficient due to the wide variety of materials.To speed up the selection process,this work focuses on interpretable feature learning and band gap prediction for titanium-based semiconductors.First,titanium compounds were selected from the Materials Project database by machine learning,and elemental features were extracted using the Magpie descriptors.Then,principal component analysis(PCA)was applied to reduce the data dimensionality,creating a representative dataset.Meantime,heatmaps and SHAP(SHapley Additive exPlanations)methods were used to demonstrate the influence of key features such as electronegativity,covalent radius,period number,and unit cell volume on the bandgap,understanding the relationship between the material’s properties and performance.After comparing different machine learning models,including Random Forest(RF),Support Vector Machines(SVM),Linear Regression(LR),and Gradient Boosting Regression(GBR),the RF was found to be the most accurate for band gap prediction.Finally,the model performance was improved through parameter tuning,showing high accuracy.These findings provide strong data support and design guidance for the development of materials in fields like photocatalysis and solar cells.
基金supported by CARS(CARS-21),the CAMS Innovation Fund for Medical Sciences(2021-I2M-1-032)the Science and Technology Department of Xizang(XZ202401ZY0020)+2 种基金the Science and Technology Department of Sichuan Province(2023YFH0044,2023YFH0018)the Sichuan Province Science Foundation for Distinguished Young Scholars(2022JDJQ0006)the Doctoral Fund of Southwest University of Science and Technology(19ZX7117,21ZX7116).
文摘Saikosaponins are the major pharmacologically active components in Bupleurum genus and exhibit significant application potential in multiple fields such as immune regulation and anti-tumor activity.To elucidate the biosynthetic pathway of saikosaponins,we identified two cytochrome P450 monooxygenases,CYP716A41 and CYP716Y4,in Bupleurum chinense.These enzymes catalyze the C-28 oxidation and C-16 hydroxylation of oleanane-type triterpene skeletons,respectively.The catalytic efficiency of CYP716A41 from a southern B.chinense variety was significantly higher than that from a northern variety.Molecular docking and mutagenesis experiments revealed that amino acid residues at sites 9 and 35 may contribute to this difference in catalytic efficiency.Additionally,under cold stress,the expression levels of both CYP450 genes and the saikosaponin contents in the leaves of southern varieties were significantly higher compared to those in northern varieties.The variation in the catalytic efficiency of CYP716A41 and the differential expression of the two CYP450 genes under cold stress during winter are associated with the differences in saikosaponin biosynthesis in the leaves of southern and northern B.chinense varieties.This is consistent with the distinct medicinal usage practices observed between southern and northern China.
基金supported by the National Natural Science Foundation of China,Nos.82072165 and 82272256(both to XM)the Key Project of Xiangyang Central Hospital,No.2023YZ03(to RM)。
文摘Spinal cord injury represents a severe form of central nervous system trauma for which effective treatments remain limited.Microglia is the resident immune cells of the central nervous system,play a critical role in spinal cord injury.Previous studies have shown that microglia can promote neuronal survival by phagocytosing dead cells and debris and by releasing neuroprotective and anti-inflammatory factors.However,excessive activation of microglia can lead to persistent inflammation and contribute to the formation of glial scars,which hinder axonal regeneration.Despite this,the precise role and mechanisms of microglia during the acute phase of spinal cord injury remain controversial and poorly understood.To elucidate the role of microglia in spinal cord injury,we employed the colony-stimulating factor 1 receptor inhibitor PLX5622 to deplete microglia.We observed that sustained depletion of microglia resulted in an expansion of the lesion area,downregulation of brain-derived neurotrophic factor,and impaired functional recovery after spinal cord injury.Next,we generated a transgenic mouse line with conditional overexpression of brain-derived neurotrophic factor specifically in microglia.We found that brain-derived neurotrophic factor overexpression in microglia increased angiogenesis and blood flow following spinal cord injury and facilitated the recovery of hindlimb motor function.Additionally,brain-derived neurotrophic factor overexpression in microglia reduced inflammation and neuronal apoptosis during the acute phase of spinal cord injury.Furthermore,through using specific transgenic mouse lines,TMEM119,and the colony-stimulating factor 1 receptor inhibitor PLX73086,we demonstrated that the neuroprotective effects were predominantly due to brain-derived neurotrophic factor overexpression in microglia rather than macrophages.In conclusion,our findings suggest the critical role of microglia in the formation of protective glial scars.Depleting microglia is detrimental to recovery of spinal cord injury,whereas targeting brain-derived neurotrophic factor overexpression in microglia represents a promising and novel therapeutic strategy to enhance motor function recovery in patients with spinal cord injury.
文摘Nickel-catalyzed borylation of aryl nonaflates with B2pin2 could be realized,which proceeded effectively by means of C—O bond functionalization to afford a wide variety of valuable arylboronates in moderate to excellent yields with good functionality compatibility.In addition,the gram-scale synthesis and the application of the approach in the late-stage elaboration of aryl nonaflate derived from pterostilbene could also be achieved.
基金Supported in part by NSFC(Nos.12401011,12201214)National Key Research and Development Program of China(No.2021YFA1000700)+3 种基金Shaanxi Fundamental Science Research Project for Mathematics and Physics(No.23JSQ053)Science and Technology Program for Youth New Star of Shaanxi Province(No.2025ZC-KJXX-29)Natural Science Basic Research Program of Shaanxi Province(No.2025JC-YBQN-091)Scientific Research Foundation for Young Talents of WNU(No.2024XJ-QNRC-01)。
文摘Let K_(j)/Q,1≤j≤ν,ν≥2 be quadratic fields with pairwise coprime discriminants Dj,and let τ_(kj)^(K_(j))(n)be the divisor function associated to Dedekind zeta function SK_(j)(s).In this paper,we consider a multidimensional general divisor problem related to the τ_(kj)^(K_(j))(n)involving several number fields over square integers,by establishing the corresponding asymptotic formula.As an application,we also obtain the asymptotic formula of variance of these coefi icients.
基金supported by the NSFC(11561001)the Program for Young Talents of Science and Technology in Universities of Inner Mongolia Autonomous Region(NJYT18-A14)+4 种基金the NSF of Inner Mongolia(2022MS01004,2020MS01011)the Higher School Foundation of Inner Mongolia(NJZY20200)the Program for Key Laboratory Construction of Chifeng University(CFXYZD202004)the Research and Innovation Team of Complex Analysis and Nonlinear Dynamic Systems of Chifeng University(cfxykycxtd202005)the Youth Science Foundation of Chifeng University(cfxyqn202133).
文摘In recent years,researchers have extensively investigated the Hankel determinant,which consists of coefficients appearing in a holomorphic function’s Taylor-Maclaurin series.Hankel matrices are widely used in Markov processes,non-stationary signals,and other mathematical disciplines.The aim of the current research article is to first improve the bounds of coefficient-related problems by employing the well-known Carathéodory function.The problems that we are going to improve were obtained by Tang et al.The sharp estimates of the most difficult problem of geometric function theory known as the third-order Hankel determinant are also contributed here.Zalcman and Fekete-Szegöinequalities are also studied here for the defined family of holomorphic functions.
基金supported in part by National Natural Science Foundation of China under Grant 72401055in part by National Natural Science Foundation of China under Grant 52277083in part by the joint founding of Guangdong,and Dongguan under Grant 2023A1515110939.
文摘Existing load forecasting methods typically assume that recent load data are available for prediction.This is not in conformity with reality since there is a time gap between the flow date(when power is consumed)and when measurement values are obtained.To this end,this letter proposes an online learning-based probabilistic load forecasting method considering the impact of the data gap.Specifically,an adaptive ensemble backpropagation-enabled online quantile regression algorithm is developed to optimize the parameters of the attention network recursively using the newly obtained load observations.To further improve the reliability and sharpness of prediction intervals under significant data gaps,we introduce an online interval calibration technique.The proposed online learning method allows us to adaptively capture the dynamic changes in load patterns and alleviate the information lags caused by data gaps.Comparative tests utilizing real-world datasets reveal the superiority of the proposed method.
基金supported by National Natural Science Foundation of China[NO.11932013].
文摘This study aims to explore the impact of fatigue induced by different limb exercises on cerebral cortical oxygenation levels and functional connectivity strength using functional near-infrared spectroscopy(fNIRS).Fatigue was induced using an upper limb ergometer or a lower limb ergometer,with the load increasing gradually each minute.fNIRS covering the prefrontal cortex and motor cortex were used to collect data during the resting state,both before and after fatigue induction.A two-way ANOVA was conducted to examine differences in oxyhemoglobin(HbO_(2))and functional connectivity before and after fatigue induction in both groups,with the significance level set at 0.05.Exercise-induced fatigue in both the upper and lower limbs leads to a significant decrease in cerebral cortical oxygenation levels.Upper limb fatigue leads to a significant reduction in functional connectivity,there were significant decreases in connectivity within the motor cortex,between the motor cortex and frontal regions,and between the right ventrolateral prefrontal cortex and other frontal regions.Conversely,no significant changes were observed before and after lower limb fatigue.Future studies should focus on examining the extent to which how changes in the cerebral cortex,induced by exercise fatigue,are linked to exercise-and/or performance-related outcomes.
基金Supported by The Natural Science Foundation of China,No.82374292the Plans for Major Provincial Science and Technology Projects of Anhui Province,No.202303a07020003the Innovation Team and Talents Cultivation Program of the National Administration of Traditional Chinese Medicine,No.ZYYCXTD-C-202401.
文摘Functional gastrointestinal disorders(FGIDs),including irritable bowel syndrome(IBS),functional dyspepsia(FD),and gastroesophageal reflux disease(GERD),present persistent diagnostic and therapeutic challenges due to symptom heterogeneity and the absence of reliable biomarkers.Artificial intelligence(AI)enables the integration of multimodal data to enhance FGID management through precision diagnostics and preventive healthcare.This minireview summarizes recent advancements in AI applications for FGIDs,highlighting progress in diagnostic accuracy,subtype classification,personalized interventions,and preventive strategies inspired by the traditional Chinese medicine concept of“treating the undiseased”.Machine learning and deep learning algorithms have demonstrated value in improving IBS diagnosis,refining FD neuro-gastrointestinal subtyping,and screening for GERD-related complications.Moreover,AI supports dietary,psychological,and integrative medicine-based interventions to improve patient adherence and quality of life.Nonetheless,key challenges remain,including data heterogeneity,limited model interpretability,and the need for robust clinical validation.Future directions emphasize interdisciplinary collaboration,the development of multimodal and explainable AI models,and the creation of patientcentered platforms to facilitate a shift from reactive treatment to proactive prevention.This review provides a systematic framework to guide the clinical application and theoretical innovation of AI in FGIDs.
基金supported by the National Natural Science Foundation of China(Grant Nos.12275193 and11975166)。
文摘Relaxation processes in quantum systems coupled to external environments represent one of the most fundamental nonequilibrium phenomena in condensed matter physics.The Lindblad master equation provides a powerful framework for characterizing such open quantum dynamics.In this work,we systematically investigate how different types of quantum jump operators and system geometries influence the Liouvillian gap and the properties of the nonequilibrium steady state(NESS)in finite-size systems.We demonstrate that,due to the intricate structure of the Liouvillian superoperator,multiple NESSs with unphysical characteristics can emerge.The physically meaningful steady state must instead be understood as a superposition of these NESSs that collectively satisfy the required physical constraints.Furthermore,we find that the Liouvillian gap does not necessarily increase monotonically with the system-environment coupling strength.Instead,it can exhibit a nontrivial peak structure,corresponding to a minimum in the relaxation time.The magnitude of this peak is closely related to the symmetry properties of the system.Our results provide a deeper understanding of nonequilibrium behavior in finite quantum systems and offer new insights into the design and control of open quantum dynamics.
文摘Correlation function of acceleration responses-based damage identificationmethods has been developed and employed,while they still face the difficulty in identifying local orminor structural damages.To deal with this issue,a robust structural damage identification method is developed,integrating a modified holistic swarm optimization(MHSO)algorithm with a hybrid objective function.The MHSO is developed by combining Hammersley sequencebased population initialization,chaotic search around the worst solution,and Hooke-Jeeves pattern search around the best solution,thereby improving both global exploration and local exploitation capabilities.A hybrid objective function is constructed by merging acceleration correlation function-based and strain correlation function-based objective functions,effectively leveraging the complementary sensitivities of global and local responses.To further suppress spurious solutions and promote sparsity in parameter estimation,an additional L0.5 regularization term is introduced.The effectiveness of the proposed method is validated through numerical simulations on a simply supported beam and a steel girder benchmark structure.Comparative studies with sequential quadratic programming,genetic algorithm,andHSO demonstrate that theMHSOachieves superior accuracy and convergence efficiency,even with limited sensors and 20%noise-contaminated measurements.Results highlight that the hybrid objective function significantly enhances the detection of both major and minor damages,while the inclusion of sparse regularization improves robustness against noise and model uncertainties.The findings indicate that the proposed framework provides a reliable and computationally efficient solution for simultaneous localization and quantification of structural damages,offering promising applicability to real-world structural health monitoring scenarios.
基金Project supported by the Fundamental Research Funds for the Central Universities(No.2042025kf0052)。
文摘In molybdenum chemistry,the oxidative addition of o-quinone or 1,2-dicarbonyl compounds to molybdenum has been widely used in Mo-catalyzed C—C bond construction.The carbonyl oxidative addition to Mo(0)or Mo(Ⅱ)is the critical elementary reaction of molybdenum catalysis.However,the relevant density functional theory(DFT)studies are relatively scarce,especially regarding the rational selection of functionals.In this work,14 functionals were employed to investigate the Mo-catalyzed carbonyl oxidative addition step.A benchmark study was carried out to evaluate their performance in structure optimization and energy calculation.Analyses of mean absolute error(MAE)and mean squared error(MSE)indicated that the B3LYP-D3(BJ),TPSSh,and ωB97X-D functionals exhibited superior performance in structure optimization.Using the DLPNO-CCSD(T)functional as the reference,the M06,M06-L,and MN15-L functionals exhibited good performance for energy calculation based on the structures optimized using the B3LYP-D3(BJ)functional.In particular,MN15-L provided the best performance with the smallest MAE and MSE.
基金supported by the key project of National Natural Sciences Foundation of China(U22A20551,32030085)the Major Project of Hubei Hongshan Laboratory,China(2021hszd015)+2 种基金the Hubei Province Major Science and Technology Special Project,China(2023BBA002)the National Natural Sciences Foundation of China(U22A20551)the National Natural Science Foundation of China Excellent Youth Fund(32422072)。
文摘Aspergillus species are ubiquitous fungi that produce mycotoxins(secondary metabolites)known as sterigmatocystin and aflatoxins in many different kinds of foods,which leads to serious contamination in agricultural products,thereby endangering human health.Extensive studies on Aspergillus fungi have been conducted on growth and development,aflatoxin biosynthesis,and their interactions with environment.Here,we summarized a series of functional genes of the main Aspergillus fungi relative to toxins occurrence in foods,which revealed the signal transduction mechanisms of their involvement in growth and development,toxin production,and response to light,anticipating providing theoretical guidance on developing control and prevention technologies for mycotoxin contamination in agricultural products to ensure food safety.
