The development of deep learning has made non-biochemical methods for molecular property prediction screening a reality,which can increase the experimental speed and reduce the experimental cost of relevant experiment...The development of deep learning has made non-biochemical methods for molecular property prediction screening a reality,which can increase the experimental speed and reduce the experimental cost of relevant experiments.There are currently two main approaches to representing molecules:(a)representing molecules by fixing molecular descriptors,and(b)representing molecules by graph convolutional neural networks.Currently,both of these Representative methods have achieved some results in their respective experiments.Based on past efforts,we propose a Dual Self-attention Fusion Message Neural Network(DSFMNN).DSFMNN uses a combination of dual self-attention mechanism and graph convolutional neural network.Advantages of DSFMNN:(1)The dual self-attention mechanism focuses not only on the relationship between individual subunits in a molecule but also on the relationship between the atoms and chemical bonds contained in each subunit.(2)On the directed molecular graph,a message delivery approach centered on directed molecular bonds is used.We test the performance of the model on eight publicly available datasets and compare the performance with several models.Based on the current experimental results,DSFMNN has superior performance compared to previous models on the datasets applied in this paper.展开更多
Developing materials with excellent properties has been the untiring pursuit of mankind.Metallic glasses(MGs)would be the ideal metallic materials if their size could be scaled up to be comparable to traditional metal...Developing materials with excellent properties has been the untiring pursuit of mankind.Metallic glasses(MGs)would be the ideal metallic materials if their size could be scaled up to be comparable to traditional metals.To address this challenge,a variety of approaches have been attempted over the past decades,including thermodynamicsbased alloy,3D printing and the recent artificial intelligenceguided optimal alloy.In this study,a facile and flexible route was demonstrated to manufacture giant MGs(GMGs)with diameters more than 100 mm through the thermo-joining process.The jointed GMG samples feature almost the same performance as the as-cast ones.The ability of manufacturing complex 3D components such as the Chinese Zodiacs was also demonstrated.Our approach might overcome the longstanding problem of glass forming ability(GFA)limitations in alloy systems and pave new concept and route to fabricate size unlimited MGs.展开更多
The amorphization of alloys is of both broad scientific interests and engineering significance.Despite considered as an efficient strategy to regulate and even achieve record-breaking properties of metallic materials,...The amorphization of alloys is of both broad scientific interests and engineering significance.Despite considered as an efficient strategy to regulate and even achieve record-breaking properties of metallic materials,a facile and rapid method to trigger solid-state amorphization is still being pursued.Here we report such a method to utilize ultrasonic vibration to trigger amorphization of intermetallic compound.The ultrasonic vibrations can cause tunable amorphization at room temperature and low stress(2 MPa)conveniently.Remarkably,the ultrasonic-induced amorphization could be achieved in 60 s,which is 360 times faster than the ball milling(2.16×10^(4) s)with the similar proportion of amorphization.The elements redistribute uniformly and rapidly via the activated short-circuit diffusion.Both experimental evidences and simulations show that the amorphous phase initiates and expands at nanograin boundaries,owing to the induction of lattice instability.This work provides a groundbreaking strategy for developing novel materials with tunable structures and properties.展开更多
The incidence of pancreatic cancer has been rising worldwide,and its clinical diagnosis and treatment remain a great challenge.To present the update and improvements in the clinical diagnosis and treatment of pancreat...The incidence of pancreatic cancer has been rising worldwide,and its clinical diagnosis and treatment remain a great challenge.To present the update and improvements in the clinical diagnosis and treatment of pancreatic cancer in recent years,Chinese Pancreatic Association,the Chinese Society of Surgery,Chinese Medical Association revised the Guidelines for the Diagnosis and Treatment of Pancreatic Cancer in China(2014)after reviewing evidence-based and problem-oriented literature published during 2015-2021,mainly focusing on highlight issues regarding diagnosis and surgical treatment of pancreatic cancer,conversion strategies for locally advanced pancreatic cancer,treatment of pancreatic cancer with oligo metastasis,adjuvant and neoadjuvant therapy,standardized processing of surgical specimens and evaluation of surgical margin status,systemic treatment for unresectable pancreatic cancer,genetic testing,as well as postoperative follow up of patients with pancreatic cancer.Forty recommendation items were finally proposed based on the above issues,and the quality of evidence and strength of recommendations were graded using the Grades of Recommendation,Assessment,Development,and Evaluation system.This guideline aims to standardize the clinical diagnosis and therapy,especially surgical treatment of pancreatic cancer in China,and further improve the prognosis of patients with pancreatic cancer.展开更多
The design of metallic materials with high strength,high ductility,and high thermal stability has always been a long-sought goal for the materials science community.However,the trade-off between strength and ductility...The design of metallic materials with high strength,high ductility,and high thermal stability has always been a long-sought goal for the materials science community.However,the trade-off between strength and ductility remains a challenge.Here,we proposed a new strategy to design and fabricate bulk amorphous-crystalline dual-phase superior alloys out of the Al_(80)Li_(5)Mg_(5)Zn_(5)Cu_(5)multicomponent alloy.The nano-amorphous phase revealed unexpected thermal stability during fabrication and mechanical testing above the crystallization temperature.The true fracture strength of the Al_(80)Li_(5)Mg_(5)Zn_(5)Cu_(5)nano-amorphous-crystal dual-phase multicomponent alloy was increased from 528 to 657 MPa,and the true strain was increased from 18%to 48%.In addition,the alloy yielded a strength 1.5 times higher than that of the commonly used high-strength aluminum alloys at 250℃.This strategy provided a new approach and concept for the design of high-performance alloys to ensure strength-plasticity balance.展开更多
Objective:To clarify the length and volume reduction of seminal vesicles(SVs)after neo-adjuvant hormonal therapy(NHT),in order to help contour the optimal SV included into high-dose clinical target volume(CTV)for radi...Objective:To clarify the length and volume reduction of seminal vesicles(SVs)after neo-adjuvant hormonal therapy(NHT),in order to help contour the optimal SV included into high-dose clinical target volume(CTV)for radiotherapy in intermediate-and high-risk patients.Methods:MR images both before and after NHT(5.3±2.2 months)were collected from thirty-one patients with cT2-4N0M0 prostate cancer.SV volume was measured in axial T1WI,while SV length was obtained in a reconstructed oblique coronary plane through its long axial from a 3D sequence.Results:SVs showed evident reduction both in length and volume(length:median 12.1%,range 4.0%–28.0%;volume:median 39.9%,range 9.4%–66.2%).For SVs with and without MR detected involvement,length shortening were(16.7±4.8)%and(11.1±4.4)%(P<0.001);for involved SVs and lesions,volume reduction were(41.0±16.0)%and(66.3±14.4)%,respectively(P<0.001),both indicating a more sensitive response to NHT of the involved portion than normal SV.Conclusions:Both volume and length of the SV will be reduced after receiving NHT.Besides,the invaded segments shrink more than normal SV tissue,indicating that SV portion included within the CTV can be reduced.展开更多
Excessive inflammatory responses contribute to the pathogenesis and lethality of highly pathogenic human coronaviruses,but the underlying mechanism remains unclear.In this study,the N proteins of highly pathogenic hum...Excessive inflammatory responses contribute to the pathogenesis and lethality of highly pathogenic human coronaviruses,but the underlying mechanism remains unclear.In this study,the N proteins of highly pathogenic human coronaviruses,including severe acute respiratory syndrome coronavirus(SARS-CoV),middle east respiratory syndrome coronavirus(MERS-CoV)and severe acute respiratory syndrome coronavirus 2(SARS-CoV-2),were found to bind MASP-2,a key serine protease in the lectin pathway of complement activation,resulting in excessive complement activation by potentiating MBL-dependent MASP-2 activation,and the deposition of MASP-2,C4b,activated C3 and C5b-9.Aggravated inflammatory lung injury was observed in mice infected with adenovirus expressing the N protein.Complement hyperactivation was also observed in SARS-CoV-2-infected patients.Either blocking the N protein:MASP-2 interaction,MASP-2 depletion or suppressing complement activation can significantly alleviate N protein-induced complement hyperactivation and lung injury in vitro and in vivo.Altogether,these data suggested that complement suppression may represent a novel therapeutic approach for pneumonia induced by these highly pathogenic coronaviruses.展开更多
文摘The development of deep learning has made non-biochemical methods for molecular property prediction screening a reality,which can increase the experimental speed and reduce the experimental cost of relevant experiments.There are currently two main approaches to representing molecules:(a)representing molecules by fixing molecular descriptors,and(b)representing molecules by graph convolutional neural networks.Currently,both of these Representative methods have achieved some results in their respective experiments.Based on past efforts,we propose a Dual Self-attention Fusion Message Neural Network(DSFMNN).DSFMNN uses a combination of dual self-attention mechanism and graph convolutional neural network.Advantages of DSFMNN:(1)The dual self-attention mechanism focuses not only on the relationship between individual subunits in a molecule but also on the relationship between the atoms and chemical bonds contained in each subunit.(2)On the directed molecular graph,a message delivery approach centered on directed molecular bonds is used.We test the performance of the model on eight publicly available datasets and compare the performance with several models.Based on the current experimental results,DSFMNN has superior performance compared to previous models on the datasets applied in this paper.
基金the Key Basic and Applied Research Program of Guangdong ProvinceChina(2019B030302010)+2 种基金the National Natural Science Foundation of China(51871157)the Science and Technology Innovation Commission of Shenzhen(JCYJ20170412111216258)the National Key Research and Development Program of China(2018YFA0703605)。
文摘Developing materials with excellent properties has been the untiring pursuit of mankind.Metallic glasses(MGs)would be the ideal metallic materials if their size could be scaled up to be comparable to traditional metals.To address this challenge,a variety of approaches have been attempted over the past decades,including thermodynamicsbased alloy,3D printing and the recent artificial intelligenceguided optimal alloy.In this study,a facile and flexible route was demonstrated to manufacture giant MGs(GMGs)with diameters more than 100 mm through the thermo-joining process.The jointed GMG samples feature almost the same performance as the as-cast ones.The ability of manufacturing complex 3D components such as the Chinese Zodiacs was also demonstrated.Our approach might overcome the longstanding problem of glass forming ability(GFA)limitations in alloy systems and pave new concept and route to fabricate size unlimited MGs.
基金financially supported by the Key Basic and Applied Research Program of Guangdong Province,China(No.2019B030302010)the National Natural Science Foundation of China(Nos.52122105,51971150,51871157)+3 种基金the National Key Research and Development Program of China(No.2018YFA0703605)the financial support from the National Natural Science Foundation of China(No.12072344)the Youth Innovation Promotion Association of the Chinese Academy of Sciencessupported by the Beijing Electron Positron Collider(BEPC)project(No.2020-BEPC-PT-004661).
文摘The amorphization of alloys is of both broad scientific interests and engineering significance.Despite considered as an efficient strategy to regulate and even achieve record-breaking properties of metallic materials,a facile and rapid method to trigger solid-state amorphization is still being pursued.Here we report such a method to utilize ultrasonic vibration to trigger amorphization of intermetallic compound.The ultrasonic vibrations can cause tunable amorphization at room temperature and low stress(2 MPa)conveniently.Remarkably,the ultrasonic-induced amorphization could be achieved in 60 s,which is 360 times faster than the ball milling(2.16×10^(4) s)with the similar proportion of amorphization.The elements redistribute uniformly and rapidly via the activated short-circuit diffusion.Both experimental evidences and simulations show that the amorphous phase initiates and expands at nanograin boundaries,owing to the induction of lattice instability.This work provides a groundbreaking strategy for developing novel materials with tunable structures and properties.
文摘The incidence of pancreatic cancer has been rising worldwide,and its clinical diagnosis and treatment remain a great challenge.To present the update and improvements in the clinical diagnosis and treatment of pancreatic cancer in recent years,Chinese Pancreatic Association,the Chinese Society of Surgery,Chinese Medical Association revised the Guidelines for the Diagnosis and Treatment of Pancreatic Cancer in China(2014)after reviewing evidence-based and problem-oriented literature published during 2015-2021,mainly focusing on highlight issues regarding diagnosis and surgical treatment of pancreatic cancer,conversion strategies for locally advanced pancreatic cancer,treatment of pancreatic cancer with oligo metastasis,adjuvant and neoadjuvant therapy,standardized processing of surgical specimens and evaluation of surgical margin status,systemic treatment for unresectable pancreatic cancer,genetic testing,as well as postoperative follow up of patients with pancreatic cancer.Forty recommendation items were finally proposed based on the above issues,and the quality of evidence and strength of recommendations were graded using the Grades of Recommendation,Assessment,Development,and Evaluation system.This guideline aims to standardize the clinical diagnosis and therapy,especially surgical treatment of pancreatic cancer in China,and further improve the prognosis of patients with pancreatic cancer.
基金supported by the Key Basic and Applied Research Program of Guangdong Province, China (2019B030302010)the National Natural Science Foundation of China (52122105 and 51871157)the National Key Research and Development Program of China (2018YFA0703604)
文摘The design of metallic materials with high strength,high ductility,and high thermal stability has always been a long-sought goal for the materials science community.However,the trade-off between strength and ductility remains a challenge.Here,we proposed a new strategy to design and fabricate bulk amorphous-crystalline dual-phase superior alloys out of the Al_(80)Li_(5)Mg_(5)Zn_(5)Cu_(5)multicomponent alloy.The nano-amorphous phase revealed unexpected thermal stability during fabrication and mechanical testing above the crystallization temperature.The true fracture strength of the Al_(80)Li_(5)Mg_(5)Zn_(5)Cu_(5)nano-amorphous-crystal dual-phase multicomponent alloy was increased from 528 to 657 MPa,and the true strain was increased from 18%to 48%.In addition,the alloy yielded a strength 1.5 times higher than that of the commonly used high-strength aluminum alloys at 250℃.This strategy provided a new approach and concept for the design of high-performance alloys to ensure strength-plasticity balance.
基金This study was supported by National Natural Science Foundation of China(82271771)National High Level Hospital Clinical Research Funding(Interdepartmental Clinical Research Project of Peking University First Hospital,2022CR29)Beijing Xisike Clinical Oncology Research Foundation(Y-2019AZQN-0003),China.
文摘Objective:To clarify the length and volume reduction of seminal vesicles(SVs)after neo-adjuvant hormonal therapy(NHT),in order to help contour the optimal SV included into high-dose clinical target volume(CTV)for radiotherapy in intermediate-and high-risk patients.Methods:MR images both before and after NHT(5.3±2.2 months)were collected from thirty-one patients with cT2-4N0M0 prostate cancer.SV volume was measured in axial T1WI,while SV length was obtained in a reconstructed oblique coronary plane through its long axial from a 3D sequence.Results:SVs showed evident reduction both in length and volume(length:median 12.1%,range 4.0%–28.0%;volume:median 39.9%,range 9.4%–66.2%).For SVs with and without MR detected involvement,length shortening were(16.7±4.8)%and(11.1±4.4)%(P<0.001);for involved SVs and lesions,volume reduction were(41.0±16.0)%and(66.3±14.4)%,respectively(P<0.001),both indicating a more sensitive response to NHT of the involved portion than normal SV.Conclusions:Both volume and length of the SV will be reduced after receiving NHT.Besides,the invaded segments shrink more than normal SV tissue,indicating that SV portion included within the CTV can be reduced.
基金funded by the National Science and Technology Major Projects(2018ZX09711003-005-005 and 2018ZX09201017-007)the National Basic Research Program of China(2012CB518902).
文摘Excessive inflammatory responses contribute to the pathogenesis and lethality of highly pathogenic human coronaviruses,but the underlying mechanism remains unclear.In this study,the N proteins of highly pathogenic human coronaviruses,including severe acute respiratory syndrome coronavirus(SARS-CoV),middle east respiratory syndrome coronavirus(MERS-CoV)and severe acute respiratory syndrome coronavirus 2(SARS-CoV-2),were found to bind MASP-2,a key serine protease in the lectin pathway of complement activation,resulting in excessive complement activation by potentiating MBL-dependent MASP-2 activation,and the deposition of MASP-2,C4b,activated C3 and C5b-9.Aggravated inflammatory lung injury was observed in mice infected with adenovirus expressing the N protein.Complement hyperactivation was also observed in SARS-CoV-2-infected patients.Either blocking the N protein:MASP-2 interaction,MASP-2 depletion or suppressing complement activation can significantly alleviate N protein-induced complement hyperactivation and lung injury in vitro and in vivo.Altogether,these data suggested that complement suppression may represent a novel therapeutic approach for pneumonia induced by these highly pathogenic coronaviruses.
