In contrast to research on active sites in nanomaterials,lithium tantalate single crystals,known for their exceptional optical properties and long-range ordered lattice structure,present a promising avenue for in-dept...In contrast to research on active sites in nanomaterials,lithium tantalate single crystals,known for their exceptional optical properties and long-range ordered lattice structure,present a promising avenue for in-depth exploration of photocatalytic reaction systems with fewer constraints imposed by surface chemistry.Typically,the isotropy of a specific facet provides a perfect support for studying heteroatom doping.Herein,this work delves into the intrinsic catalytic sites for photocatalytic nitrogen fixation in iron-doped lithium tantalate single crystals.The presence of iron not only modifies the electronic structure of lithium tantalate,improving its light absorption capacity,but also functions as an active site for the nitrogen adsorption and activation.The photocatalytic ammonia production rate of the iron-doped lithium tantalate in pure water is maximum 26.95μg cm^(−2)h^(−1),which is three times higher than that of undoped lithium tantalate.The combination of first-principles simulations with in situ characterizations confirms that iron doping promotes the rate-determining step and changes the pathway of hydrogenation to associative alternating.This study provides a new perspective on in-depth investigation of intrinsic catalytic active sites in photocatalysis and other catalytic processes.展开更多
Due to its synergistic effects and reduced side effects,combination therapy has become an important strategy for treating complex diseases.In traditional Chinese medicine(TCM),the“monarch,minister,assistant,envoy”co...Due to its synergistic effects and reduced side effects,combination therapy has become an important strategy for treating complex diseases.In traditional Chinese medicine(TCM),the“monarch,minister,assistant,envoy”compatibilities theory provides a systematic framework for drug compatibility and has guided the formation of a large number of classic formulas.However,due to the complex compositions and diverse mechanisms of action of TCM,it is difficult to comprehensively reveal its potential synergistic patterns using traditional methods.Synergistic prediction based on molecular compatibility theory provides new ideas for identifying combinations of active compounds in TCM.Compared to resource-intensive traditional experimental methods,artificial intelligence possesses the ability to mine synergistic patterns from multi-omics and structural data,providing an efficient means for modeling and optimizing TCM combinations.This paper systematically reviews the application progress of AI in the synergistic prediction of TCM active compounds and explores the challenges and prospects of its application in modeling combination relationships,thereby contributing to the modernization of TCM theory and methodological innovation.展开更多
为了研究伪狂犬病毒(pseudorabies virus,PRV)感染宿主细胞后宿主蛋白的差异表达情况,寻找PRV与细胞相互作用的重要分子,本试验将PRV接种PK-15细胞,运用同位素标记(isobaric tags for relative and absolute quantitation,iTRAQ)结合色...为了研究伪狂犬病毒(pseudorabies virus,PRV)感染宿主细胞后宿主蛋白的差异表达情况,寻找PRV与细胞相互作用的重要分子,本试验将PRV接种PK-15细胞,运用同位素标记(isobaric tags for relative and absolute quantitation,iTRAQ)结合色谱/串联质谱联用技术,开展病毒感染细胞后差异表达蛋白分析,并通过qPCR对其数据进行验证。以未接毒细胞为对照,通过数据库检索,分析出3062个蛋白,共鉴定到27个差异表达蛋白,其中21个蛋白下调,6个蛋白上调。这些差异蛋白主要参与代谢过程、生物调控、应激反应以及定位等生物学过程,具有结合活性、催化活性、转录活性等分子功能。NFκB1、PIK3R2、HSPA1L等差异蛋白在多条通路中发挥作用。POP1、UTP15和ND4的表达变化情况与iTRAQ结果变化趋势一致,证明了该数据的可靠性。本试验研究结果为进一步研究PRV致病机制及宿主免疫应答提供理论依据。展开更多
Radiochemotherapy-induced oral mucositis(OM)is a common oral complication in patients with tumors following head and neck radiotherapy or chemotherapy.Erosion and ulcers are the main features of OM that seriously affe...Radiochemotherapy-induced oral mucositis(OM)is a common oral complication in patients with tumors following head and neck radiotherapy or chemotherapy.Erosion and ulcers are the main features of OM that seriously affect the quality of life of patients and even the progress of tumor treatment.To date,differences in clinical prevention and treatment plans for OM have been noted among doctors of various specialties,which has increased the uncertainty of treatment effects.On the basis of current research evidence,this expert consensus outlines risk factors,clinical manifestations,clinical grading,ancillary examinations,diagnostic basis,prevention and treatment strategies and efficacy indicators for OM.In addition to strategies such as basic oral care,antiinflammatory and analgesic agents,anti-infective agents,pro-healing agents,and photobiotherapy recommended in previous guidelines,we also emphasize the role of traditional Chinese medicine in OM prevention and treatment.This expert consensus aims to provide references and guidance for dental physicians and oncologists in formulating strategies for OM prevention,diagnosis,and treatment,standardizing clinical practice,reducing OM occurrence,promoting healing,and improving the quality of life of patients.展开更多
Two actual rocks drilled from a typical ultra-deep hydrocarbon reservoir in the Tarim Basin are selected to conduct in-situ stress-loading micro-focus CT scanning experiments.The gray images of rock microstructure at ...Two actual rocks drilled from a typical ultra-deep hydrocarbon reservoir in the Tarim Basin are selected to conduct in-situ stress-loading micro-focus CT scanning experiments.The gray images of rock microstructure at different stress loading stages are obtained.The U-Net fully convolutional neural network is utilized to achieve fine semantic segmentation of rock skeleton,pore space,and microfractures based on CT slice images of deep rocks.The three-dimensional digital rock models of deformed multiscale fractured-porous media at different stress loading stages are thereafter reconstructed,and the equivalent fracture-pore network models are finally extracted to explore the underlying mechanisms of gas-water two-phase flow at the pore-scale.Results indicate that,in the process of insitu stress loading,both the deep rocks have experienced three stages:linear elastic deformation,nonlinear plastic deformation,and shear failure.The micro-mechanical behavior greatly affects the dynamic deformation of rock microstructure and gas-water two-phase flow.In the linear elastic deformation stage,with the increase in in-situ stress,both the deep rocks are gradually compacted,leading to decreases in average pore radius,pore throat ratio,tortuosity,and water-phase relative permeability,while the coordination number nearly remains unchanged.In the plastic deformation stage,the synergistic influence of rock compaction and existence of micro-fractures typically exert a great effect on pore-throat topological properties and gas-water relative permeability.In the shear failure stage,due to the generation and propagation of micro-fractures inside the deep rock,the topological connectivity becomes better,fluid flow paths increase,and flow conductivity is promoted,thus leading to sharp increases in average pore radius and coordination number,rapid decreases in pore throat ratio and tortuosity,as well as remarkable improvement in relative permeability of gas phase and waterphase.展开更多
基金supported by Natural Science Foundation of Shandong Province(Nos.ZR2022YQ42,ZR2021JQ15,ZR2021QE011,ZR2021ZD20,2022GJJLJRC-01)Innovative Team Project of Jinan(No.2021GXRC019)the National Natural Science Foundation of China(Nos.52022037,52202366).
文摘In contrast to research on active sites in nanomaterials,lithium tantalate single crystals,known for their exceptional optical properties and long-range ordered lattice structure,present a promising avenue for in-depth exploration of photocatalytic reaction systems with fewer constraints imposed by surface chemistry.Typically,the isotropy of a specific facet provides a perfect support for studying heteroatom doping.Herein,this work delves into the intrinsic catalytic sites for photocatalytic nitrogen fixation in iron-doped lithium tantalate single crystals.The presence of iron not only modifies the electronic structure of lithium tantalate,improving its light absorption capacity,but also functions as an active site for the nitrogen adsorption and activation.The photocatalytic ammonia production rate of the iron-doped lithium tantalate in pure water is maximum 26.95μg cm^(−2)h^(−1),which is three times higher than that of undoped lithium tantalate.The combination of first-principles simulations with in situ characterizations confirms that iron doping promotes the rate-determining step and changes the pathway of hydrogenation to associative alternating.This study provides a new perspective on in-depth investigation of intrinsic catalytic active sites in photocatalysis and other catalytic processes.
基金supported by the National Key Research and Development Program of China(No.2024YFC3506900)Science and Technology Program of Tianjin(No.24ZXZSSS00460)Special Project for Technological Innovation in New Productive Forces of Modern Chinese Medicines(No.24ZXZKSY00010)。
文摘Due to its synergistic effects and reduced side effects,combination therapy has become an important strategy for treating complex diseases.In traditional Chinese medicine(TCM),the“monarch,minister,assistant,envoy”compatibilities theory provides a systematic framework for drug compatibility and has guided the formation of a large number of classic formulas.However,due to the complex compositions and diverse mechanisms of action of TCM,it is difficult to comprehensively reveal its potential synergistic patterns using traditional methods.Synergistic prediction based on molecular compatibility theory provides new ideas for identifying combinations of active compounds in TCM.Compared to resource-intensive traditional experimental methods,artificial intelligence possesses the ability to mine synergistic patterns from multi-omics and structural data,providing an efficient means for modeling and optimizing TCM combinations.This paper systematically reviews the application progress of AI in the synergistic prediction of TCM active compounds and explores the challenges and prospects of its application in modeling combination relationships,thereby contributing to the modernization of TCM theory and methodological innovation.
文摘为了研究伪狂犬病毒(pseudorabies virus,PRV)感染宿主细胞后宿主蛋白的差异表达情况,寻找PRV与细胞相互作用的重要分子,本试验将PRV接种PK-15细胞,运用同位素标记(isobaric tags for relative and absolute quantitation,iTRAQ)结合色谱/串联质谱联用技术,开展病毒感染细胞后差异表达蛋白分析,并通过qPCR对其数据进行验证。以未接毒细胞为对照,通过数据库检索,分析出3062个蛋白,共鉴定到27个差异表达蛋白,其中21个蛋白下调,6个蛋白上调。这些差异蛋白主要参与代谢过程、生物调控、应激反应以及定位等生物学过程,具有结合活性、催化活性、转录活性等分子功能。NFκB1、PIK3R2、HSPA1L等差异蛋白在多条通路中发挥作用。POP1、UTP15和ND4的表达变化情况与iTRAQ结果变化趋势一致,证明了该数据的可靠性。本试验研究结果为进一步研究PRV致病机制及宿主免疫应答提供理论依据。
基金supported by the National Natural Science Foundation of China(U23A20445)the Science and Technology Program of Guangzhou(202206080009)。
文摘Radiochemotherapy-induced oral mucositis(OM)is a common oral complication in patients with tumors following head and neck radiotherapy or chemotherapy.Erosion and ulcers are the main features of OM that seriously affect the quality of life of patients and even the progress of tumor treatment.To date,differences in clinical prevention and treatment plans for OM have been noted among doctors of various specialties,which has increased the uncertainty of treatment effects.On the basis of current research evidence,this expert consensus outlines risk factors,clinical manifestations,clinical grading,ancillary examinations,diagnostic basis,prevention and treatment strategies and efficacy indicators for OM.In addition to strategies such as basic oral care,antiinflammatory and analgesic agents,anti-infective agents,pro-healing agents,and photobiotherapy recommended in previous guidelines,we also emphasize the role of traditional Chinese medicine in OM prevention and treatment.This expert consensus aims to provide references and guidance for dental physicians and oncologists in formulating strategies for OM prevention,diagnosis,and treatment,standardizing clinical practice,reducing OM occurrence,promoting healing,and improving the quality of life of patients.
基金supported by the National Natural Science Foundation of China(No.52174043)the Beijing Natural Science Foundation(No.3242019)+1 种基金the CNPC Innovation Foundation(No.2022DQ02-0208)the State Key Laboratory of Deep Oil and Gas(No.SKLD0G2024-KFZD-06).
文摘Two actual rocks drilled from a typical ultra-deep hydrocarbon reservoir in the Tarim Basin are selected to conduct in-situ stress-loading micro-focus CT scanning experiments.The gray images of rock microstructure at different stress loading stages are obtained.The U-Net fully convolutional neural network is utilized to achieve fine semantic segmentation of rock skeleton,pore space,and microfractures based on CT slice images of deep rocks.The three-dimensional digital rock models of deformed multiscale fractured-porous media at different stress loading stages are thereafter reconstructed,and the equivalent fracture-pore network models are finally extracted to explore the underlying mechanisms of gas-water two-phase flow at the pore-scale.Results indicate that,in the process of insitu stress loading,both the deep rocks have experienced three stages:linear elastic deformation,nonlinear plastic deformation,and shear failure.The micro-mechanical behavior greatly affects the dynamic deformation of rock microstructure and gas-water two-phase flow.In the linear elastic deformation stage,with the increase in in-situ stress,both the deep rocks are gradually compacted,leading to decreases in average pore radius,pore throat ratio,tortuosity,and water-phase relative permeability,while the coordination number nearly remains unchanged.In the plastic deformation stage,the synergistic influence of rock compaction and existence of micro-fractures typically exert a great effect on pore-throat topological properties and gas-water relative permeability.In the shear failure stage,due to the generation and propagation of micro-fractures inside the deep rock,the topological connectivity becomes better,fluid flow paths increase,and flow conductivity is promoted,thus leading to sharp increases in average pore radius and coordination number,rapid decreases in pore throat ratio and tortuosity,as well as remarkable improvement in relative permeability of gas phase and waterphase.
