A novel quantitative structure-property relationship （QSPR） model for estimating the solution surface tension of 92 organic compounds at 20℃ was developed based on newly introduced atom-type topological indices. Th...A novel quantitative structure-property relationship （QSPR） model for estimating the solution surface tension of 92 organic compounds at 20℃ was developed based on newly introduced atom-type topological indices. The data set contained non-polar and polar liquids, and saturated and unsaturated compounds. The regression analysis shows that excellent result is obtained with multiple linear regression. The predictive power of the proposed model was discussed using the leave-one-out （LOO） cross-validated （CV） method. The correlation coefficient （R） and the leave-one-out cross-validation correlation coefficient （Rcv） of multiple linear regression model are 0.991 4 and 0.991 3, respectively. The new model gives the average absolute relative deviation of 1.81% for 92 substances. The result demonstrates that novel topological indices based on the equilibrium electro-negativity of atom and the relative bond length are useful model parameters for QSPR analysis of compounds.展开更多
A quantitative structure-property relationship (QSPR) study has been made for the prediction of the surface tension of nonionic surfactants in aqueous solution. The regressed model includes a topological descriptor, ...A quantitative structure-property relationship (QSPR) study has been made for the prediction of the surface tension of nonionic surfactants in aqueous solution. The regressed model includes a topological descriptor, the Kier & Hall index of zero order (KH0) of the hydrophobic segment of surfactant and a quantum chemical one, the heat of formation (fHD) of surfactant molecules. The established general QSPR between the surface tension and the descriptors produces a correlation coefficient of multiple determination, 2r=0.9877, for 30 studied nonionic surfactants.展开更多
Dissecting quantitative traits into Mendelian factors is a great challenge in genetics.Apple fruit storability is a complex trait controlled by multi-genes with unequal effects.We previously identified62 quantitative ...Dissecting quantitative traits into Mendelian factors is a great challenge in genetics.Apple fruit storability is a complex trait controlled by multi-genes with unequal effects.We previously identified62 quantitative trait loci(QTLs)associated with apple fruit storability and genomics-assisted prediction(GAP)models were trained using 56 QTLbased markers.Here,three candidate genes,Md NAC83,Md BPM2,and Md RGLG3,were screened from the regions of QTLs with large G'value and large genetic effects.Both a 216-bp deletion and an SNP934 T/C at the promoter of Md NAC83 were associated with higher Md NAC83expression but an SNP388 G/A at the coding region significantly reduced the activity to activate the expression of the target genes Md ACO1,Md MANA3,and Md XTH28.Md BPM2 and Md RGLG3 participated in the ubiquitination of Md NAC83.SNP657 T/A of Md BPM2 and SNP167C/G of Md RGLG3 caused a reduction in the activity to ubiquitinate Md NAC83.By the addition of functional markers to the Geno Baits SNP array,the prediction accuracy of the updated GAP models increased to 0.7723/0.6231 and 0.5639/0.5345 for flesh firmness/crispness at harvest and flesh firmness/crispness retainability,respectively.The variation network involving eight simple Mendelian variations in six genes helps to gain insight into the molecular quantitative genetics,to improve breeding strategy,and to provide targets for future genome editing.展开更多
Under earthquake action, different site conditions have a notable impact on the dynamic response of high-speed railway bridges after earthquakes, which in turn poses a threat to the running stability of trains in the ...Under earthquake action, different site conditions have a notable impact on the dynamic response of high-speed railway bridges after earthquakes, which in turn poses a threat to the running stability of trains in the post-earthquake period. Therefore, establishing a calculation method for the post-earthquake train speed threshold that considers the influence of different site characteristics is of great engineering significance. Taking the CRTS Ⅲ slab track as the research object, this study is based on the track irregularity root mean square rate(TRR), which the authors proposed earlier to quantify the track regularity level. Using the nonlinear least squares fitting method, the mapping relationship between the TRR and the postearthquake train running performance indicators on bridges is established. Furthermore, the influence of laws governing site categories and train speeds on post-earthquake train running performance on bridges is analyzed, and a train speed threshold for bridges based on running performance under random site conditions is proposed. The research results indicate that all train running performance indicators increase significantly with the increase of train operating speed;different site categories have a significant impact on post-earthquake track residual deformation and train running stability. The greater the amplitude of postearthquake track alignment residual deformation, the lower the threshold for the stable running speed of trains after the earthquake, with the speed threshold decreasing by up to 20%. The research outcomes can provide technical references for the post-earthquake safe operation and maintenance of high-speed railway bridges under complex site conditions, as well as the formulation of targeted train speed control schemes.展开更多
Sulfur dioxide(SO_(2)) and its derivatives have been recognized as harmful environmental pollutants.However,they are often produced during the processing of traditional Chinese medicines,potentially compromising the q...Sulfur dioxide(SO_(2)) and its derivatives have been recognized as harmful environmental pollutants.However,they are often produced during the processing of traditional Chinese medicines,potentially compromising the quality of these medicinal materials and contributing to various health issues.Due to a lack of effective monitoring and imaging tools,the physiological effects of excessive SO_(2) residues in traditional Chinese medicine remain unclear.Therefore,developing a rapid and effective tool for detecting SO_(2) is crucial for understanding its metabolic pathways and effects in vivo.In this study,we developed a near infrared(NIR) and ratiometric fluorescent probe,NIR-RS,which exhibits high sensitivity,selectivity,and rapid response for SO_(2) detection.Notably,NIR-RS accurately quantifies SO_(2) contents in Pinelliae rhizoma(P.rhizoma) samples,with recovery rates from 98.46 % to 102.40 %,and relative standard deviations(RSDs)< 5.0 %.For bioimaging applications,NIR-RS has low cytotoxicity and good mitochondrial-targeting ability,making it suitable for imaging exogenous and endogenous SO_(2) in mitochondria.Additionally,NIR-RS was successfully applied to image SO_(2) content of P.rhizoma samples within cells,revealing that high SO_(2) residue elevated mitochondria adenosine triphosphate(ATP) content,these findings reveal that P.rhizoma with excessive SO_(2) can affect the organism's growth mechanisms through alterations in ATP pathways.In vivo,SO_(2) was found to predominantly accumulate in the liver following gavage with P.rhizoma solution,with accumulation levels increasing in proportion to SO_(2) residue concentration.High SO_(2) concentrations in P.rhizoma can cause pulmonary fibrosis and gastric mucosal damage.This work provides a valuable tool for regulating SO_(2) content in P.rhizoma and may help researcher better understand the metabolism of SO_(2) derivatives and explore their physiological roles in biological systems.展开更多
Chemical industry is always seeking opportunities to efficiently and economically convert raw materials to commodity chemicals and higher value-added chemicalbased products.The life cycles of chemical products involve...Chemical industry is always seeking opportunities to efficiently and economically convert raw materials to commodity chemicals and higher value-added chemicalbased products.The life cycles of chemical products involve the procedures of conceptual product designs,experimental investigations,sustainable manufactures through appropriate chemical processes and waste disposals.During these periods,one of the most important keys is the molecular property prediction models associating molecular structures with product properties.In this paper,a framework combining quantum mechanics and quantitative structure-property relationship is established for fast molecular property predictions,such as activity coefficient,and so forth.The workflow of framework consists of three steps.In the first step,a database is created for collections of basic molecular information;in the second step,quantum mechanics-based calculations are performed to predict quantum mechanics-based/derived molecular properties(pseudo experimental data),which are stored in a database and further provided for the developments of quantitative structure-property relationship methods for fast predictions of properties in the third step.The whole framework has been carried out within a molecular property prediction toolbox.Two case studies highlighting different aspects of the toolbox involving the predictions of heats of reaction and solid-liquid phase equilibriums are presented.展开更多
Quantitative structure-property relationship(QSPR)models were developed for prediction of photolysis half-life(t_(1/2))of polychlorinated biphenyls(PCBs)in water under ultraviolet(UV)radiation.Quantum chemical descrip...Quantitative structure-property relationship(QSPR)models were developed for prediction of photolysis half-life(t_(1/2))of polychlorinated biphenyls(PCBs)in water under ultraviolet(UV)radiation.Quantum chemical descriptors computed by the PM3 Hamiltonian software were used as independent variables.The cross-validated Q^(2)_(cum)value for the optimal QSPR model is 0.966,indicating good prediction capability for lg t_(1/2)values of PCBs in water.The QSPR results show that the largest negative atomic charge on a carbon atom(Q-C)and the standard heat of formation(ΔH_(f))have a dominant effect on t_(1/2)values of PCBs.Higher Q_(C)^(-)values or lowerΔHf values of the PCBs leads to higher lg t_(1/2)values.In addition,the lg t_(1/2)values of PCBs increase with the increase in the energy of the highest occupied molecular orbital values.Increasing the largest positive atomic charge on a chlorine atom and the most positive net atomic charge on a hydrogen atom in PCBs leads to the decrease of lg t_(1/2)values.展开更多
In this paper the photolysis half-lives of the model dyes in water solutions and under ultraviolet （UV） radiation were determined by using a continuous-flow spectrophotometric method. A quantitative structure- prope...In this paper the photolysis half-lives of the model dyes in water solutions and under ultraviolet （UV） radiation were determined by using a continuous-flow spectrophotometric method. A quantitative structure- property relationship （QSPR） study was carried out using 21 descriptors based on different chemometric tools including stepwise multiple linear regression （MLR） and partial least squares （PLS） for the prediction of the photolysis half-life （t1/2） of dyes. For the selection of test set compounds, a K-means clustering technique was used to classify the entire data set, so that all clusters were properly represented in both training and test sets. The QSPR results obtained with these models show that in MLR-derived model, photolysis half-lives of dyes depended strongly on energy of the highest occupied molecular orbital （EHoMO）, largest electron density of an atom in the molecule （ED^＋） and lipophilicity （logP）. While in the model derived from PLS, besides aforementioned EHOMO and ED^＋ descriptors, the molecular surface area （Sm）, molecular weight （M-W）, electronegativity （X）, energy of the second highest occupied molecular orbital （EHoMO- 1） and dipole moment （μ） had dominant effects on logt1/2 values of dyes. These were applicable for all classes of studied dyes （including monoazo, disazo, oxazine, sulfo- nephthaleins and derivatives of fluorescein）. The results were also assessed for their consistency with findings from other similar studies.展开更多
Jasmonates and related compounds, including amino acid conjugates of jasmonic acid, have regulatory functions in the signaling pathway for plant developmental processes and responses to the complex equilibrium of biot...Jasmonates and related compounds, including amino acid conjugates of jasmonic acid, have regulatory functions in the signaling pathway for plant developmental processes and responses to the complex equilibrium of biotic and abiotic stress. But the molecular details of the signaling mechanism are still poorly understood. Statistically significant quantitative structure-property relationship models （r^2 〉 0.990） constructed by genetic function approximation and molecular field analysis were generated for the purpose of deriving structural requirements for lipophilicity of amino acid conjugates of jasmonic acid. The best models derived in the present study provide some valuable academic information in terms of the 2/3D-descriptors influencing the lipophilicity, which may contribute to further understanding the mechanism of exogenous application ofjasmonates in their signaling pathway and designing novel analogs of jasmonic acid as ecological pesticides.展开更多
In order to predict the critical micelle concentration (cmc) of nonionic surfactants in aqueous solution,a quantitative structure-property relationship (QSPR) was found for 77 nonionic surfactants belonging to eight s...In order to predict the critical micelle concentration (cmc) of nonionic surfactants in aqueous solution,a quantitative structure-property relationship (QSPR) was found for 77 nonionic surfactants belonging to eight series. The best-regressed model contained four quantum-chemical descriptors,the heat of formation (ΔH),the molecular dipole moment (D),the energy of the lowest unoccupied molecular orbital (E_ LUMO ) and the energy of the highest occupied molecular orbital (E_ HOMO ) of the surfactant molecule; two constitutional descriptors,the molecular weight of surfactant (M) and the number of oxygen and nitrogen atoms (n_ ON ) of the hydrophilic fragment of surfactant molecule; and one topological descriptor,the Kier & Hall index of zero order (KH0) of the hydrophobic fragment of the surfactant. The established general QSPR between lg(cmc) and the descriptors produced a relevant coefficient of multiple determination:R 2=0.986. When cross terms were considered,the corresponding best model contained five descriptors E_ LUMO ,D,KH0,M and a cross term n_ ON ·KH0,which also produced the same coefficient as the seven-parameter model.展开更多
Pythium stalk rot(PSR)is a destructive disease of maize,severely affecting yield and grain quality.The identification of quantitative trait loci(QTL)or genes for resistance to PSR forms the basis of diseaseresistant h...Pythium stalk rot(PSR)is a destructive disease of maize,severely affecting yield and grain quality.The identification of quantitative trait loci(QTL)or genes for resistance to PSR forms the basis of diseaseresistant hybrids breeding.In this study,a major QTL,Resistance to Pythium stalk rot 1(RPSR1),was identified from a set of recombinant inbred lines derived from MS71 and POP.Using a recombinant progeny testing strategy,RPSR1 was fine-mapped in a 472 kb interval.Through candidate gene expression,gene knock-down and knock-out studies,a leucine-rich repeat receptor-like kinase gene,PEP RECEPTOR 2(ZmPEPR2),was assigned as a PSR resistance gene.These results provide insights into the genetic architecture of resistance to PSR in maize,which should facilitate breeding maize for resistance to stalk rot.展开更多
All-vanadium flow batteries(VFBs)are one of the most promising large-scale energy storage technologies.Conducting an operando quantitative analysis of the polarizations in VFBs under different conditions is essential ...All-vanadium flow batteries(VFBs)are one of the most promising large-scale energy storage technologies.Conducting an operando quantitative analysis of the polarizations in VFBs under different conditions is essential for developing high power density batteries.Here,we employ an operando decoupling method to quantitatively analyze the polarizations in each electrochemical and chemical reaction of VFBs under different catalytic conditions.Results show that the reduction reaction of V^(3+)presents the largest activation polarization,while the reduction reaction of VO_(2)^(+)primarily contributes to concentration polarizations due to the formation of the intermediate product V_(2)O_(3)^(3+).Additionally,it is found that the widely used electrode catalytic methods,incorporating oxygen functional groups and electrodepositing Bi,not only enhance the reaction kinetics but also exacerbate concentration polarizations simultaneously,especially during the discharge process.Specifically,in the battery with the high oxygen-containing electrodes,the negative side still accounts for the majority of activation loss(75.3%)at 200 mA cm^(-2),but it comes down to 36,9% after catalyzing the negative reactions with bismuth.This work provides an effective way to probe the limiting steps in flow batteries under various working conditions and offers insights for effectively enhancing battery performance for future developments.展开更多
Bone age assessment(BAA)aims to determine whether a child’s growth and development are normal concerning their chronological age.To predict bone age more accurately based on radiographs,and for the left-hand X-ray im...Bone age assessment(BAA)aims to determine whether a child’s growth and development are normal concerning their chronological age.To predict bone age more accurately based on radiographs,and for the left-hand X-ray images of different races model can have better adaptability,we propose a neural network in parallel with the quantitative features from the left-hand bone measurements for BAA.In this study,a lightweight feature extractor(LFE)is designed to obtain the featuremaps fromradiographs,and amodule called attention erasermodule(AEM)is proposed to capture the fine-grained features.Meanwhile,the dimensional information of the metacarpal parts in the radiographs is measured to enhance the model’s generalization capability across images fromdifferent races.Ourmodel is trained and validated on the RSNA,RHPE,and digital hand atlas datasets,which include images from various racial groups.The model achieves a mean absolute error(MAE)of 4.42 months on the RSNA dataset and 15.98 months on the RHPE dataset.Compared to ResNet50,InceptionV3,and several state-of-the-art methods,our proposed method shows statistically significant improvements(p<0.05),with a reduction in MAE by 0.2±0.02 years across different racial datasets.Furthermore,t-tests on the features also confirm the statistical significance of our approach(p<0.05).展开更多
Supercritical CO_(2)(SC-CO_(2))fracturing stands out a promising waterless stimulation technique in the development of unconventional resources.While numerous studies have delved into the inducedfracture mechanism of ...Supercritical CO_(2)(SC-CO_(2))fracturing stands out a promising waterless stimulation technique in the development of unconventional resources.While numerous studies have delved into the inducedfracture mechanism of SC-CO_(2),the small scale of rock samples and synthetic materials used in many studies have limited a comprehensive understanding of fracture propagation in unconventional formations.In this study,cubic tight sandstone samples with dimensions of 300 mm were employed to conduct SC-CO_(2)fractu ring experiments under true-triaxial stre ss conditions.The spatial morphology and quantitative attributes of fracture induced by water and SC-CO_(2)fracturing were compared,while the impact of in-situ stress on fracture propagation was also investigated.The results indicate that the SCCO_(2)fracturing takes approximately ten times longer than water fracturing.Furthermore,under identical stress condition,the breakdown pressure(BP)for SC-CO_(2)fracturing is nearly 25%lower than that for water fracturing.A quantitative analysis of fracture morphology reveals that water fracturing typically produces relatively simple fracture pattern,with the primary fracture distribution predominantly controlled by bedding planes.In contrast,SC-CO_(2)fracturing results in a more complex fracture morphology.As the differential of horizontal principal stress increases,the BP for SC-CO_(2)fractured rock exhibits a downward trend,and the induced fracture morphology becomes more simplified.Moreover,the presence of abnormal in-situ stress leads to a further increase in the BP for SC-CO_(2)fracturing,simultaneously enhancing the development of a more conductive fracture network.These findings provide critical insights into the efficiency and behavior of SC-CO_(2)fracturing in comparison to traditional water-based fracturing,offering valuable implication for its potential applications in unconventional reservoirs.展开更多
Sini Decoction(SNT)is a traditional formula recognized for its efficacy in warming the spleen and stomach and dispersing cold.However,elucidating the mechanism of action of SNT remains challenging due to its complex m...Sini Decoction(SNT)is a traditional formula recognized for its efficacy in warming the spleen and stomach and dispersing cold.However,elucidating the mechanism of action of SNT remains challenging due to its complex multiple components.This study utilized a synergistic approach combining two-dimensional fluorescence difference in gel electrophoresis(2D-DIGE)-based drug affinity responsive target stability(DARTS)with label-free quantitative proteomics techniques to identify the direct and indirect protein targets of SNT in myocardial infarction.The analysis identified 590 proteins,with 30 proteins showing significant upregulation and 51 proteins showing downregulation when comparing the SNT group with the model group.Through the integration of 2D-DIGE DARTS with proteomics data and pharmacological assessments,the findings indicate that protein disulfide-isomerase A3(PDIA3)may serve as a potential protein target through which SNT provides protective effects on myocardial cells during myocardial infarction.展开更多
Quantitative detection of trace small-sized nanoplastics(<100 nm)remains a significant challenge in surface-enhanced Raman scattering(SERS).To tackle this issue,we developed a hydrophobic CuO@Ag nanowire substrate ...Quantitative detection of trace small-sized nanoplastics(<100 nm)remains a significant challenge in surface-enhanced Raman scattering(SERS).To tackle this issue,we developed a hydrophobic CuO@Ag nanowire substrate and introduced a multiplex-feature analysis strategy based on the coffee ring effect.This substrate not only offers high Raman enhancement but also exhibits a high probability of detection(POD),enabling rapid and accurate identification of 50 nm polystyrene nanoplastics over a broad concentration range(1–10−10 wt%).Importantly,experimental results reveal a strong correlation between the coffee ring formation and the concentration of nanoplastic dispersion.By incorporating Raman signal intensity,coffee ring diameter,and POD as combined features,we established a machine learning-based mapping between nanoplastic concentration and coffee ring characteristics,allowing precise predictions of dispersion concentration.The mean squared error of these predictions is remarkably low,ranging from 0.21 to 0.54,representing a 19 fold improvement in accuracy compared to traditional linear regression-based methods.This strategy effectively integrates SERS with wettability modification techniques,ensuring high sensitivity and fingerprinting capabilities,while addressing the limitations of Raman signal intensity in accurately reflecting concentration changes at ultra-low levels,providing a new idea for precise SERS measurements of nanoplastics.展开更多
Infrared(IR)spectroscopy,a technique within the realm of molecular vibrational spectroscopy,furnishes distinctive chemical signatures pivotal for both structural analysis and compound identification.A notable challeng...Infrared(IR)spectroscopy,a technique within the realm of molecular vibrational spectroscopy,furnishes distinctive chemical signatures pivotal for both structural analysis and compound identification.A notable challenge emerges from the misalignment between the mid-IR light wavelength range and molecular dimensions,culminating in a constrained absorption cross-section and diminished vibrational absorption coefficients(Supplementary data).展开更多
Mg-4.8Zn-0.8Y,Mg-18Zn-3Y,Mg-15Zn-5Y,Mg-30Zn-5Y and Mg-42Zn-7Y(wt%)alloys containing icosahedral quasicrystalline phases were prepared using the ordinary solidification method.The impact of Mg matrix porosity on the te...Mg-4.8Zn-0.8Y,Mg-18Zn-3Y,Mg-15Zn-5Y,Mg-30Zn-5Y and Mg-42Zn-7Y(wt%)alloys containing icosahedral quasicrystalline phases were prepared using the ordinary solidification method.The impact of Mg matrix porosity on the tensile strength and hardness of the alloys was studied.The porosity of the Mg matrix was quantitatively assessed using scanning electron microscope and Image-Pro Plus 6.0 software.Tensile tests were conducted at room temperature.Results show that the maximum tensile strength of the alloy is 175.56 MPa,with a corresponding Mg matrix porosity of 76.74%.Through fitting analysis,it is determined that the maximum tensile strength is achieved when the porosity of the Mg matrix is 64.87%.The microhardness test results indicate a gradual decrease in alloy hardness with increasing the porosity of Mg matrix.This study provides an effective quantitative analysis method for enhancing the mechanical properties of magnesium alloys.展开更多
Risk management often plays an important role in decision making un-der uncertainty.In quantitative risk management,assessing and optimizing risk metrics requires eficient computing techniques and reliable theoretical...Risk management often plays an important role in decision making un-der uncertainty.In quantitative risk management,assessing and optimizing risk metrics requires eficient computing techniques and reliable theoretical guarantees.In this pa-per,we introduce several topics on quantitative risk management and review some of the recent studies and advancements on the topics.We consider several risk metrics and study decision models that involve the metrics,with a main focus on the related com-puting techniques and theoretical properties.We show that stochastic optimization,as a powerful tool,can be leveraged to effectively address these problems.展开更多
BACKGROUND The clinical impact of post-percutaneous coronary intervention (PCI) quantitative flow ratio (QFR) in patients treated with PCI for chronic total occlusion (CTO) was still undetermined.METHODS All CTO vesse...BACKGROUND The clinical impact of post-percutaneous coronary intervention (PCI) quantitative flow ratio (QFR) in patients treated with PCI for chronic total occlusion (CTO) was still undetermined.METHODS All CTO vessels treated with successful anatomical PCI in patients from PANDA Ⅲ trial were retrospectively measured for postPCI QFR.The primary outcome was 2-year vessel-oriented composite endpoints (VOCEs,composite of target vessel-related cardiac death,target vessel-related myocardial infarction,and ischemia-driven target vessel revascularization).Receiver operator characteristic curve analysis was conducted to identify optimal cutoff value of post-PCI QFR for predicting the 2-year VOCEs,and all vessels were stratified by this optimal cutoff value.Cox proportional hazards models were employed to calculate the hazard ratio (HR) with 95% CI.RESULTS Among 428 CTO vessels treated with PCI,353 vessels (82.5%) were analyzable for post-PCI QFR.31 VOCEs (8.7%) occurred at 2 years.Mean value of post-PCI QFR was 0.92±0.13.Receiver operator characteristic curve analysis shown the optimal cutoff value of post-PCI QFR for predicting 2-year VOCEs was 0.91.The incidence of 2-year VOCEs in the vessel with post-PCI QFR<0.91 (n=91) was significantly higher compared with the vessels with post-PCI QFR≥0.91 (n=262)(22.0%vs.4.2%,HR=4.98,95%CI:2.32–10.70).CONCLUSIONS Higher post-PCI QFR values were associated with improved prognosis in the PCI practice for coronary CTO.Achieving functionally optimal PCI results (post-PCI QFR value≥0.91) tends to get better prognosis for patients with CTO lesions.展开更多
基金Projects(20775010,21075011) supported by the National Natural Science Foundation of ChinaProject(2008AA05Z405) supported by the National High Technology Research and Development Program of China+2 种基金Project(09JJ3016) supported by Hunan Provincial Natural Science Foundation,ChinaProject(09C066) supported by Scientific Research Fund of Hunan Provincial Education Department,ChinaProject(2010CL01) supported by the Foundation of Hunan Provincial Key Laboratory of Materials Protection for Electric Power and Transportation,China
文摘A novel quantitative structure-property relationship （QSPR） model for estimating the solution surface tension of 92 organic compounds at 20℃ was developed based on newly introduced atom-type topological indices. The data set contained non-polar and polar liquids, and saturated and unsaturated compounds. The regression analysis shows that excellent result is obtained with multiple linear regression. The predictive power of the proposed model was discussed using the leave-one-out （LOO） cross-validated （CV） method. The correlation coefficient （R） and the leave-one-out cross-validation correlation coefficient （Rcv） of multiple linear regression model are 0.991 4 and 0.991 3, respectively. The new model gives the average absolute relative deviation of 1.81% for 92 substances. The result demonstrates that novel topological indices based on the equilibrium electro-negativity of atom and the relative bond length are useful model parameters for QSPR analysis of compounds.
基金the National Natural Science Foundation of China(to grant No.29903006 and 29973023)the Visiting Scholar Foundation of Key Laboratory in University of China for their financial support
文摘A quantitative structure-property relationship (QSPR) study has been made for the prediction of the surface tension of nonionic surfactants in aqueous solution. The regressed model includes a topological descriptor, the Kier & Hall index of zero order (KH0) of the hydrophobic segment of surfactant and a quantum chemical one, the heat of formation (fHD) of surfactant molecules. The established general QSPR between the surface tension and the descriptors produces a correlation coefficient of multiple determination, 2r=0.9877, for 30 studied nonionic surfactants.
基金financially supported by the National Natural Science Foundation of China(32202431)the National Key R&D Program of China(2022YFD1200503)+2 种基金China Postdoctoral Science Foundation(2022M713408)the Earmarked Fund for CARS-27the Key Research and Development Program of Hebei(21326308D)。
文摘Dissecting quantitative traits into Mendelian factors is a great challenge in genetics.Apple fruit storability is a complex trait controlled by multi-genes with unequal effects.We previously identified62 quantitative trait loci(QTLs)associated with apple fruit storability and genomics-assisted prediction(GAP)models were trained using 56 QTLbased markers.Here,three candidate genes,Md NAC83,Md BPM2,and Md RGLG3,were screened from the regions of QTLs with large G'value and large genetic effects.Both a 216-bp deletion and an SNP934 T/C at the promoter of Md NAC83 were associated with higher Md NAC83expression but an SNP388 G/A at the coding region significantly reduced the activity to activate the expression of the target genes Md ACO1,Md MANA3,and Md XTH28.Md BPM2 and Md RGLG3 participated in the ubiquitination of Md NAC83.SNP657 T/A of Md BPM2 and SNP167C/G of Md RGLG3 caused a reduction in the activity to ubiquitinate Md NAC83.By the addition of functional markers to the Geno Baits SNP array,the prediction accuracy of the updated GAP models increased to 0.7723/0.6231 and 0.5639/0.5345 for flesh firmness/crispness at harvest and flesh firmness/crispness retainability,respectively.The variation network involving eight simple Mendelian variations in six genes helps to gain insight into the molecular quantitative genetics,to improve breeding strategy,and to provide targets for future genome editing.
基金supported by the Science and Technology Research and Development Program Project of China Railway Group Limited (Grant No.2022-Major-17)the National Natural Science Foundation of China (Grant Nos.52578619,52178180)+2 种基金the National Key Research and Development Program of China (Grant No.2022YFC3004304)the Frontier Cross Research Project of Central South University (Grant No.2023QYJC006)the Natural Science Foundation of Hunan Province Funding Project (Grant No.2023JJ40724)。
文摘Under earthquake action, different site conditions have a notable impact on the dynamic response of high-speed railway bridges after earthquakes, which in turn poses a threat to the running stability of trains in the post-earthquake period. Therefore, establishing a calculation method for the post-earthquake train speed threshold that considers the influence of different site characteristics is of great engineering significance. Taking the CRTS Ⅲ slab track as the research object, this study is based on the track irregularity root mean square rate(TRR), which the authors proposed earlier to quantify the track regularity level. Using the nonlinear least squares fitting method, the mapping relationship between the TRR and the postearthquake train running performance indicators on bridges is established. Furthermore, the influence of laws governing site categories and train speeds on post-earthquake train running performance on bridges is analyzed, and a train speed threshold for bridges based on running performance under random site conditions is proposed. The research results indicate that all train running performance indicators increase significantly with the increase of train operating speed;different site categories have a significant impact on post-earthquake track residual deformation and train running stability. The greater the amplitude of postearthquake track alignment residual deformation, the lower the threshold for the stable running speed of trains after the earthquake, with the speed threshold decreasing by up to 20%. The research outcomes can provide technical references for the post-earthquake safe operation and maintenance of high-speed railway bridges under complex site conditions, as well as the formulation of targeted train speed control schemes.
基金supported by the Natural Science Foundation of Hubei Province (Nos.2023AFB376 and 2024AFD287)National Key Research and Development Program (No.2023YFC3503804)the National Natural Science Foundation of China (No.22077044)。
文摘Sulfur dioxide(SO_(2)) and its derivatives have been recognized as harmful environmental pollutants.However,they are often produced during the processing of traditional Chinese medicines,potentially compromising the quality of these medicinal materials and contributing to various health issues.Due to a lack of effective monitoring and imaging tools,the physiological effects of excessive SO_(2) residues in traditional Chinese medicine remain unclear.Therefore,developing a rapid and effective tool for detecting SO_(2) is crucial for understanding its metabolic pathways and effects in vivo.In this study,we developed a near infrared(NIR) and ratiometric fluorescent probe,NIR-RS,which exhibits high sensitivity,selectivity,and rapid response for SO_(2) detection.Notably,NIR-RS accurately quantifies SO_(2) contents in Pinelliae rhizoma(P.rhizoma) samples,with recovery rates from 98.46 % to 102.40 %,and relative standard deviations(RSDs)< 5.0 %.For bioimaging applications,NIR-RS has low cytotoxicity and good mitochondrial-targeting ability,making it suitable for imaging exogenous and endogenous SO_(2) in mitochondria.Additionally,NIR-RS was successfully applied to image SO_(2) content of P.rhizoma samples within cells,revealing that high SO_(2) residue elevated mitochondria adenosine triphosphate(ATP) content,these findings reveal that P.rhizoma with excessive SO_(2) can affect the organism's growth mechanisms through alterations in ATP pathways.In vivo,SO_(2) was found to predominantly accumulate in the liver following gavage with P.rhizoma solution,with accumulation levels increasing in proportion to SO_(2) residue concentration.High SO_(2) concentrations in P.rhizoma can cause pulmonary fibrosis and gastric mucosal damage.This work provides a valuable tool for regulating SO_(2) content in P.rhizoma and may help researcher better understand the metabolism of SO_(2) derivatives and explore their physiological roles in biological systems.
基金The authors are grateful for the financial supports of the National Natural Science Foundation of China(Grant Nos.22078041 and 21808025)the Fundamental Research Funds for the Central Universities(Grant No.DUT20JC41).
文摘Chemical industry is always seeking opportunities to efficiently and economically convert raw materials to commodity chemicals and higher value-added chemicalbased products.The life cycles of chemical products involve the procedures of conceptual product designs,experimental investigations,sustainable manufactures through appropriate chemical processes and waste disposals.During these periods,one of the most important keys is the molecular property prediction models associating molecular structures with product properties.In this paper,a framework combining quantum mechanics and quantitative structure-property relationship is established for fast molecular property predictions,such as activity coefficient,and so forth.The workflow of framework consists of three steps.In the first step,a database is created for collections of basic molecular information;in the second step,quantum mechanics-based calculations are performed to predict quantum mechanics-based/derived molecular properties(pseudo experimental data),which are stored in a database and further provided for the developments of quantitative structure-property relationship methods for fast predictions of properties in the third step.The whole framework has been carried out within a molecular property prediction toolbox.Two case studies highlighting different aspects of the toolbox involving the predictions of heats of reaction and solid-liquid phase equilibriums are presented.
基金The research was supported by the Open Foundation of the State Key Laboratory of Hydrology-Water Resources and Hydraulic Engineering(No.2009490511)the special fund of State Key Joint Laboratory of Environment Simulation and Pollution Control(No.10Y08ESPCN)the National High Technology Research and Development Program of China(No.2009AA05Z306).
文摘Quantitative structure-property relationship(QSPR)models were developed for prediction of photolysis half-life(t_(1/2))of polychlorinated biphenyls(PCBs)in water under ultraviolet(UV)radiation.Quantum chemical descriptors computed by the PM3 Hamiltonian software were used as independent variables.The cross-validated Q^(2)_(cum)value for the optimal QSPR model is 0.966,indicating good prediction capability for lg t_(1/2)values of PCBs in water.The QSPR results show that the largest negative atomic charge on a carbon atom(Q-C)and the standard heat of formation(ΔH_(f))have a dominant effect on t_(1/2)values of PCBs.Higher Q_(C)^(-)values or lowerΔHf values of the PCBs leads to higher lg t_(1/2)values.In addition,the lg t_(1/2)values of PCBs increase with the increase in the energy of the highest occupied molecular orbital values.Increasing the largest positive atomic charge on a chlorine atom and the most positive net atomic charge on a hydrogen atom in PCBs leads to the decrease of lg t_(1/2)values.
文摘In this paper the photolysis half-lives of the model dyes in water solutions and under ultraviolet （UV） radiation were determined by using a continuous-flow spectrophotometric method. A quantitative structure- property relationship （QSPR） study was carried out using 21 descriptors based on different chemometric tools including stepwise multiple linear regression （MLR） and partial least squares （PLS） for the prediction of the photolysis half-life （t1/2） of dyes. For the selection of test set compounds, a K-means clustering technique was used to classify the entire data set, so that all clusters were properly represented in both training and test sets. The QSPR results obtained with these models show that in MLR-derived model, photolysis half-lives of dyes depended strongly on energy of the highest occupied molecular orbital （EHoMO）, largest electron density of an atom in the molecule （ED^＋） and lipophilicity （logP）. While in the model derived from PLS, besides aforementioned EHOMO and ED^＋ descriptors, the molecular surface area （Sm）, molecular weight （M-W）, electronegativity （X）, energy of the second highest occupied molecular orbital （EHoMO- 1） and dipole moment （μ） had dominant effects on logt1/2 values of dyes. These were applicable for all classes of studied dyes （including monoazo, disazo, oxazine, sulfo- nephthaleins and derivatives of fluorescein）. The results were also assessed for their consistency with findings from other similar studies.
基金the National Natural Science Foundation of China (30500339)the Natural Science Foundation Program of Zhejiang Province(Y407308)
文摘Jasmonates and related compounds, including amino acid conjugates of jasmonic acid, have regulatory functions in the signaling pathway for plant developmental processes and responses to the complex equilibrium of biotic and abiotic stress. But the molecular details of the signaling mechanism are still poorly understood. Statistically significant quantitative structure-property relationship models （r^2 〉 0.990） constructed by genetic function approximation and molecular field analysis were generated for the purpose of deriving structural requirements for lipophilicity of amino acid conjugates of jasmonic acid. The best models derived in the present study provide some valuable academic information in terms of the 2/3D-descriptors influencing the lipophilicity, which may contribute to further understanding the mechanism of exogenous application ofjasmonates in their signaling pathway and designing novel analogs of jasmonic acid as ecological pesticides.
文摘In order to predict the critical micelle concentration (cmc) of nonionic surfactants in aqueous solution,a quantitative structure-property relationship (QSPR) was found for 77 nonionic surfactants belonging to eight series. The best-regressed model contained four quantum-chemical descriptors,the heat of formation (ΔH),the molecular dipole moment (D),the energy of the lowest unoccupied molecular orbital (E_ LUMO ) and the energy of the highest occupied molecular orbital (E_ HOMO ) of the surfactant molecule; two constitutional descriptors,the molecular weight of surfactant (M) and the number of oxygen and nitrogen atoms (n_ ON ) of the hydrophilic fragment of surfactant molecule; and one topological descriptor,the Kier & Hall index of zero order (KH0) of the hydrophobic fragment of the surfactant. The established general QSPR between lg(cmc) and the descriptors produced a relevant coefficient of multiple determination:R 2=0.986. When cross terms were considered,the corresponding best model contained five descriptors E_ LUMO ,D,KH0,M and a cross term n_ ON ·KH0,which also produced the same coefficient as the seven-parameter model.
基金supported by National Natural Science Foundation of China(32302371 to Junbin Chen)the National Key Research and Development Program,Ministry of Science and Technology of China(2022YFD1201802 to Wangsheng Zhu)Research Program from State Key Laboratory of Maize Biobreeding(SKLMB2424 to Wangsheng Zhu).
文摘Pythium stalk rot(PSR)is a destructive disease of maize,severely affecting yield and grain quality.The identification of quantitative trait loci(QTL)or genes for resistance to PSR forms the basis of diseaseresistant hybrids breeding.In this study,a major QTL,Resistance to Pythium stalk rot 1(RPSR1),was identified from a set of recombinant inbred lines derived from MS71 and POP.Using a recombinant progeny testing strategy,RPSR1 was fine-mapped in a 472 kb interval.Through candidate gene expression,gene knock-down and knock-out studies,a leucine-rich repeat receptor-like kinase gene,PEP RECEPTOR 2(ZmPEPR2),was assigned as a PSR resistance gene.These results provide insights into the genetic architecture of resistance to PSR in maize,which should facilitate breeding maize for resistance to stalk rot.
基金supported by the Guangdong Major Project of Basic and Applied Basic Research(2023B0303000002)the National Natural Science Foundation of China(No.52206089)+3 种基金the Guangdong Basic and Applied Basic Research Foundation(2024A1515010288,2023B1515120005)the Natural Science Foundation of Shenzhen(JCYJ20230807093315033)the Shenzhen Engineering Research Center,Southern University of Science and Technology(No.XMHT20230208003)high level of special funds(G03034K001)。
文摘All-vanadium flow batteries(VFBs)are one of the most promising large-scale energy storage technologies.Conducting an operando quantitative analysis of the polarizations in VFBs under different conditions is essential for developing high power density batteries.Here,we employ an operando decoupling method to quantitatively analyze the polarizations in each electrochemical and chemical reaction of VFBs under different catalytic conditions.Results show that the reduction reaction of V^(3+)presents the largest activation polarization,while the reduction reaction of VO_(2)^(+)primarily contributes to concentration polarizations due to the formation of the intermediate product V_(2)O_(3)^(3+).Additionally,it is found that the widely used electrode catalytic methods,incorporating oxygen functional groups and electrodepositing Bi,not only enhance the reaction kinetics but also exacerbate concentration polarizations simultaneously,especially during the discharge process.Specifically,in the battery with the high oxygen-containing electrodes,the negative side still accounts for the majority of activation loss(75.3%)at 200 mA cm^(-2),but it comes down to 36,9% after catalyzing the negative reactions with bismuth.This work provides an effective way to probe the limiting steps in flow batteries under various working conditions and offers insights for effectively enhancing battery performance for future developments.
基金supported by the grant from the National Natural Science Foundation of China(No.72071019)grant from the Natural Science Foundation of Chongqing(No.cstc2021jcyj-msxmX0185).
文摘Bone age assessment(BAA)aims to determine whether a child’s growth and development are normal concerning their chronological age.To predict bone age more accurately based on radiographs,and for the left-hand X-ray images of different races model can have better adaptability,we propose a neural network in parallel with the quantitative features from the left-hand bone measurements for BAA.In this study,a lightweight feature extractor(LFE)is designed to obtain the featuremaps fromradiographs,and amodule called attention erasermodule(AEM)is proposed to capture the fine-grained features.Meanwhile,the dimensional information of the metacarpal parts in the radiographs is measured to enhance the model’s generalization capability across images fromdifferent races.Ourmodel is trained and validated on the RSNA,RHPE,and digital hand atlas datasets,which include images from various racial groups.The model achieves a mean absolute error(MAE)of 4.42 months on the RSNA dataset and 15.98 months on the RHPE dataset.Compared to ResNet50,InceptionV3,and several state-of-the-art methods,our proposed method shows statistically significant improvements(p<0.05),with a reduction in MAE by 0.2±0.02 years across different racial datasets.Furthermore,t-tests on the features also confirm the statistical significance of our approach(p<0.05).
基金funded by the National Natural Scientific Foundation of China(Nos.52304008,52404038,52474043)the China Postdoctoral Science Foundation(No.2023MD734223)+1 种基金the Key Laboratory of Well Stability and Fluid&Rock Mechanics in Oil and Gas Reservoir of Shaanxi Province(No.23JS047)the Youth Talent Lifting Program of Xi'an Science and Technology Association(No.959202413078)。
文摘Supercritical CO_(2)(SC-CO_(2))fracturing stands out a promising waterless stimulation technique in the development of unconventional resources.While numerous studies have delved into the inducedfracture mechanism of SC-CO_(2),the small scale of rock samples and synthetic materials used in many studies have limited a comprehensive understanding of fracture propagation in unconventional formations.In this study,cubic tight sandstone samples with dimensions of 300 mm were employed to conduct SC-CO_(2)fractu ring experiments under true-triaxial stre ss conditions.The spatial morphology and quantitative attributes of fracture induced by water and SC-CO_(2)fracturing were compared,while the impact of in-situ stress on fracture propagation was also investigated.The results indicate that the SCCO_(2)fracturing takes approximately ten times longer than water fracturing.Furthermore,under identical stress condition,the breakdown pressure(BP)for SC-CO_(2)fracturing is nearly 25%lower than that for water fracturing.A quantitative analysis of fracture morphology reveals that water fracturing typically produces relatively simple fracture pattern,with the primary fracture distribution predominantly controlled by bedding planes.In contrast,SC-CO_(2)fracturing results in a more complex fracture morphology.As the differential of horizontal principal stress increases,the BP for SC-CO_(2)fractured rock exhibits a downward trend,and the induced fracture morphology becomes more simplified.Moreover,the presence of abnormal in-situ stress leads to a further increase in the BP for SC-CO_(2)fracturing,simultaneously enhancing the development of a more conductive fracture network.These findings provide critical insights into the efficiency and behavior of SC-CO_(2)fracturing in comparison to traditional water-based fracturing,offering valuable implication for its potential applications in unconventional reservoirs.
基金supported by the National Natural Science Foundation of China(Nos.82073814,82122066,and 82104328)the"Dawn"Program of the Shanghai Education Commission(No.22SG34)+1 种基金the National Key Research and Development Program of the Ministry of China(No.2022YFC2704603)Shanghai Sailing Program(No.20YF1458900).
文摘Sini Decoction(SNT)is a traditional formula recognized for its efficacy in warming the spleen and stomach and dispersing cold.However,elucidating the mechanism of action of SNT remains challenging due to its complex multiple components.This study utilized a synergistic approach combining two-dimensional fluorescence difference in gel electrophoresis(2D-DIGE)-based drug affinity responsive target stability(DARTS)with label-free quantitative proteomics techniques to identify the direct and indirect protein targets of SNT in myocardial infarction.The analysis identified 590 proteins,with 30 proteins showing significant upregulation and 51 proteins showing downregulation when comparing the SNT group with the model group.Through the integration of 2D-DIGE DARTS with proteomics data and pharmacological assessments,the findings indicate that protein disulfide-isomerase A3(PDIA3)may serve as a potential protein target through which SNT provides protective effects on myocardial cells during myocardial infarction.
基金the National Natural Science Foundation of China(No.12174229 and 22375117)Natural Science Foundation of Shandong Province(No.ZR2022YQ02 and ZR2023MB149)Taishan Scholars Program of Shandong Province(No.tsqn202306152)for financial support.
文摘Quantitative detection of trace small-sized nanoplastics(<100 nm)remains a significant challenge in surface-enhanced Raman scattering(SERS).To tackle this issue,we developed a hydrophobic CuO@Ag nanowire substrate and introduced a multiplex-feature analysis strategy based on the coffee ring effect.This substrate not only offers high Raman enhancement but also exhibits a high probability of detection(POD),enabling rapid and accurate identification of 50 nm polystyrene nanoplastics over a broad concentration range(1–10−10 wt%).Importantly,experimental results reveal a strong correlation between the coffee ring formation and the concentration of nanoplastic dispersion.By incorporating Raman signal intensity,coffee ring diameter,and POD as combined features,we established a machine learning-based mapping between nanoplastic concentration and coffee ring characteristics,allowing precise predictions of dispersion concentration.The mean squared error of these predictions is remarkably low,ranging from 0.21 to 0.54,representing a 19 fold improvement in accuracy compared to traditional linear regression-based methods.This strategy effectively integrates SERS with wettability modification techniques,ensuring high sensitivity and fingerprinting capabilities,while addressing the limitations of Raman signal intensity in accurately reflecting concentration changes at ultra-low levels,providing a new idea for precise SERS measurements of nanoplastics.
基金supported by National Natural Science Foundation of China(Grant No.:32301161)the Natural Scientific Foundation of Hunan Province,China(Grant No.:2023JJ60052)+3 种基金the Scientific Research Project of Hunan Provincial Health Commission,China(Grant No.:202112062218,20190161)the Scientific Research Project of Hunan Provincial Department of Education,China(Grant No.:22B0455)the Clinical“4310”Project of the University of South China,China(Grant No.:20224310NHYCG02)the Doctoral Scientific Research Foundation of University of South China,China(Grant No.:200XQD042).
文摘Infrared(IR)spectroscopy,a technique within the realm of molecular vibrational spectroscopy,furnishes distinctive chemical signatures pivotal for both structural analysis and compound identification.A notable challenge emerges from the misalignment between the mid-IR light wavelength range and molecular dimensions,culminating in a constrained absorption cross-section and diminished vibrational absorption coefficients(Supplementary data).
基金National Natural Science Foundation of China(12072166)Inner Mongolia Autonomous Region Science and Technology Plan Project(2021GG0254)+2 种基金Supported by Key Laboratory of Infinite-Dimensional Hamiltonian System and Its Algorithm Application(Inner Mongolia Normal University),Ministry of Education(2023KFZD02)Inner Mongolia Autonomous Region Applied Mathematics Center Independent Research Key Project(ZZYJZD2022002)Inner Mongolia Autonomous Region Universities Basic Scientific Business Fee Research Project(JY20220075)。
文摘Mg-4.8Zn-0.8Y,Mg-18Zn-3Y,Mg-15Zn-5Y,Mg-30Zn-5Y and Mg-42Zn-7Y(wt%)alloys containing icosahedral quasicrystalline phases were prepared using the ordinary solidification method.The impact of Mg matrix porosity on the tensile strength and hardness of the alloys was studied.The porosity of the Mg matrix was quantitatively assessed using scanning electron microscope and Image-Pro Plus 6.0 software.Tensile tests were conducted at room temperature.Results show that the maximum tensile strength of the alloy is 175.56 MPa,with a corresponding Mg matrix porosity of 76.74%.Through fitting analysis,it is determined that the maximum tensile strength is achieved when the porosity of the Mg matrix is 64.87%.The microhardness test results indicate a gradual decrease in alloy hardness with increasing the porosity of Mg matrix.This study provides an effective quantitative analysis method for enhancing the mechanical properties of magnesium alloys.
文摘Risk management often plays an important role in decision making un-der uncertainty.In quantitative risk management,assessing and optimizing risk metrics requires eficient computing techniques and reliable theoretical guarantees.In this pa-per,we introduce several topics on quantitative risk management and review some of the recent studies and advancements on the topics.We consider several risk metrics and study decision models that involve the metrics,with a main focus on the related com-puting techniques and theoretical properties.We show that stochastic optimization,as a powerful tool,can be leveraged to effectively address these problems.
基金supported by the CAMS Innovation Fund for Medical Sciences(No.2021-I2M-1-008)the National High Level Hospital Clinical Research Funding(No.2023-GSP-GG-2&No.2023-GSP-QN-34&No.2023-GSPRC-05).
文摘BACKGROUND The clinical impact of post-percutaneous coronary intervention (PCI) quantitative flow ratio (QFR) in patients treated with PCI for chronic total occlusion (CTO) was still undetermined.METHODS All CTO vessels treated with successful anatomical PCI in patients from PANDA Ⅲ trial were retrospectively measured for postPCI QFR.The primary outcome was 2-year vessel-oriented composite endpoints (VOCEs,composite of target vessel-related cardiac death,target vessel-related myocardial infarction,and ischemia-driven target vessel revascularization).Receiver operator characteristic curve analysis was conducted to identify optimal cutoff value of post-PCI QFR for predicting the 2-year VOCEs,and all vessels were stratified by this optimal cutoff value.Cox proportional hazards models were employed to calculate the hazard ratio (HR) with 95% CI.RESULTS Among 428 CTO vessels treated with PCI,353 vessels (82.5%) were analyzable for post-PCI QFR.31 VOCEs (8.7%) occurred at 2 years.Mean value of post-PCI QFR was 0.92±0.13.Receiver operator characteristic curve analysis shown the optimal cutoff value of post-PCI QFR for predicting 2-year VOCEs was 0.91.The incidence of 2-year VOCEs in the vessel with post-PCI QFR<0.91 (n=91) was significantly higher compared with the vessels with post-PCI QFR≥0.91 (n=262)(22.0%vs.4.2%,HR=4.98,95%CI:2.32–10.70).CONCLUSIONS Higher post-PCI QFR values were associated with improved prognosis in the PCI practice for coronary CTO.Achieving functionally optimal PCI results (post-PCI QFR value≥0.91) tends to get better prognosis for patients with CTO lesions.
