A second-generation fast Non-dominated Sorting Genetic Algorithm product shape multi-objective imagery optimization model based on degradation(DNSGA-II)strategy is proposed to make the product appearance optimization ...A second-generation fast Non-dominated Sorting Genetic Algorithm product shape multi-objective imagery optimization model based on degradation(DNSGA-II)strategy is proposed to make the product appearance optimization scheme meet the complex emotional needs of users for the product.First,the semantic differential method and K-Means cluster analysis are applied to extract the multi-objective imagery of users;then,the product multidimensional scale analysis is applied to classify the research objects,and again the reference samples are screened by the semantic differentialmethod,and the samples are parametrized in two dimensions by using elliptic Fourier analysis;finally,the fuzzy dynamic evaluation function is used as the objective function of the algorithm,and the coordinates of key points of product contours Finally,with the fuzzy dynamic evaluation function as the objective function of the algorithm and the coordinates of key points of the product profile as the decision variables,the optimal product profile solution set is solved by DNSGA-II.The validity of the model is verified by taking the optimization of the shape scheme of the hospital connection site as an example.For comparison with DNSGA-II,other multi-objective optimization algorithms are also presented.To evaluate the performance of each algorithm,the performance evaluation index values of the five multi-objective optimization algorithms are calculated in this paper.The results show that DNSGA-II is superior in improving individual diversity and has better overall performance.展开更多
BACKGROUND We previously showed,using the Traditional Chinese Medicine System Pharmacology Database,that Gegen Qinlian decoction(GQD)had a direct antitumor effect,and was combined with programmed cell death protein(PD...BACKGROUND We previously showed,using the Traditional Chinese Medicine System Pharmacology Database,that Gegen Qinlian decoction(GQD)had a direct antitumor effect,and was combined with programmed cell death protein(PD)-1 inhibitors to treat microsatellite stable(MSS)tumor-bearing mice.However,the effect of GQD on patients with colorectal cancer(CRC)is not clear.AIM To determine the therapeutic mechanism of GQD in improving immune function,reducing inflammation and protecting intestinal barrier function.METHODS Seventy patients with CRC were included in this study:37 in the control group and 33 in the treatment group.The proportions of CD4+T,CD8+T,natural killer(NK),NKT and T regulatory cells were measured by flow cytometry.Levels of the cytokines tumor necrosis factor(TNF)-α,interferon(IFN)-γ,interleukin(IL)-2,IL-6,IL-10 and serotonin(5-hydroxytryptamine;5-HT)in serum were assessed by enzyme-linked immunosorbent assay(ELISA).The expression of zonula occludens(ZO)-1,occludin,nuclear factor(NF)-κB and TNF-αin tumor and normal tissues was measured by immunohistochemistry.The composition of gut microbiota from patients in the treatment group was assessed using 16S rDNA analysis.RESULTS There were no adverse events in the treatment group.The proportion of CD4+T cells and NKT cells in the post-treatment group was significantly higher than that in the pre-treatment and control groups(P<0.05).The level of TNF-αin the posttreatment group was significantly lower than that in the pre-treatment and control groups(P<0.05).The concentration of 5-HT in the post-treatment group was significantly lower than that in the pre-treatment group(P<0.05).The expression of ZO-1 and occludin in tumor tissues in the treatment group was significantly higher than that in the control group(P<0.05).The expression of ZO-1 in normal tissues of the treatment group was significantly higher than that in the control group(P=0.010).Compared with the control group,expression of NF-κB and TNF-αin tumor tissues of the treatment group was significantly decreased(P<0.05).Compared with the pre-treatment group,GQD decreased the relative abundance of Megamonas and Veillonella.In addition,GQD increased the relative abundance of Bacteroides,Akkermansia and Prevotella.CONCLUSION GQD enhances immunity and protects intestinal barrier function in patients with CRC by regulating the composition of gut microbiota.展开更多
Structure prediction methods have been widely used as a state-of-the-art tool for structure searches and materials discovery, leading to many theory-driven breakthroughs on discoveries of new materials. These methods ...Structure prediction methods have been widely used as a state-of-the-art tool for structure searches and materials discovery, leading to many theory-driven breakthroughs on discoveries of new materials. These methods generally involve the exploration of the potential energy surfaces of materials through various structure sampling techniques and optimization algorithms in conjunction with quantum mechanical calculations. By taking advantage of the general feature of materials potential energy surface and swarm-intelligence-based global optimization algorithms, we have developed the CALYPSO method for structure prediction, which has been widely used in fields as diverse as computational physics, chemistry, and materials science. In this review, we provide the basic theory of the CALYPSO method, placing particular emphasis on the principles of its various structure dealing methods. We also survey the current challenges faced by structure prediction methods and include an outlook on the future developments of CALYPSO in the conclusions.展开更多
A dream long held by physicists has been to raise the critical temperature(Tc)—the temperature below which the material exhibits no electrical resistance—of a superconductor to room temperature.The most recent excit...A dream long held by physicists has been to raise the critical temperature(Tc)—the temperature below which the material exhibits no electrical resistance—of a superconductor to room temperature.The most recent excitement in that regard has centered on rare-earth superhydrides,of which LaH10 at 190 GPa has a remarkably high Tc of 260 K.展开更多
Based on the great advantages of an inner hollow structure and excellent solid counterpart capacity,complex hierarchical structures have been widely used as electrodes for lithium-ion batteries.Herein,hierarchical yol...Based on the great advantages of an inner hollow structure and excellent solid counterpart capacity,complex hierarchical structures have been widely used as electrodes for lithium-ion batteries.Herein,hierarchical yolk-shell Cu_(2)O@Cu O-decorated RGO(YSRs)was designed and synthesized via a multistep approach.Octahedron-like Cu_(2)O-decorated RGO was firstly produced,in which GO was reduced slightly while cuprous oxide was synthesized.Subsequently,the controlled oxidation of Cu_(2)O@RGO led to the synthesis of special YSRs,which were composed of a solid Cu_(2)O core,spur-CuO,CuO shell,and RGO covered.As anode materials,YSRs could provide considerable capacity density.Meanwhile,the void existed between shells and solid active materials retaining the advantages of inner hollow structure.As a result,the unique architecture of the materials renders the composites with enhanced electronic and ionic diffusion kinetics,high specific capacity(~894 m Ah g^(-1),0.1 C),and an excellent rate capability.展开更多
BACKGROUND Most major abdominal vascular injuries are caused by penetrating injuries.A common iliac artery occlusion caused by blunt force trauma is rare,and very few cases have been reported.Because of this low incid...BACKGROUND Most major abdominal vascular injuries are caused by penetrating injuries.A common iliac artery occlusion caused by blunt force trauma is rare,and very few cases have been reported.Because of this low incidence,atypical symptoms,and frequent association with other severe injuries,the proper diagnosis tends to be missed or delayed.The gold standard for diagnosis is angiography,and treatment remains a challenge.CASE SUMMARY We report here the unusual case of a common iliac artery occlusion caused by blunt abdominal compressive trauma,with transection of the small intestine.At presentation,the patient(a 56-year-old man)complained of pain and numbness in the left lower extremity and severe pain in the whole abdomen.Physical examination showed total abdominal tenderness with evidence of peritoneal irritation.The left lower limb was pulseless and cold.Abdominal computed tomography examination revealed digestive tract perforation,and abdominal computed tomography angiography showed left common iliac artery occlusion.The patient was treated successfully by anastomosis of the intestine,percutaneous transluminal angioplasty,and stenting.The patient was followed for more than 11 mo after the operation and showed a good recovery.CONCLUSION Patients with abdominal trauma should be suspected of having major vascular injury.Individualized treatment strategies are needed for this condition.展开更多
As a fundamental thermodynamic variable, pressure can alter the bonding patterns and drive phase transitions leading to the creation of new high-pressure phases with exotic properties that are inaccessible at ambient ...As a fundamental thermodynamic variable, pressure can alter the bonding patterns and drive phase transitions leading to the creation of new high-pressure phases with exotic properties that are inaccessible at ambient pressure. Using the swarm intelligence structural prediction method, the phase transition of TiF_(3), from R-3c to the Pnma phase, was predicted at high pressure, accompanied by the destruction of TiF_6 octahedra and formation of TiF_8 square antiprismatic units. The Pnma phase of TiF_(3), formed using the laser-heated diamond-anvil-cell technique was confirmed via high-pressure x-ray diffraction experiments. Furthermore, the in situ electrical measurements indicate that the newly found Pnma phase has a semiconducting character, which is also consistent with the electronic band structure calculations. Finally, it was shown that this pressure-induced phase transition is a general phenomenon in ScF_(3), VF_(3), CrF_(3), and MnF_(3), offering valuable insights into the high-pressure phases of transition metal trifluorides.展开更多
Gallium arsenide(GaAs),a typical covalent semiconductor,is widely used in the electronic industry,owing to its superior electron transport properties.However,its brittle nature is a drawback that has so far significan...Gallium arsenide(GaAs),a typical covalent semiconductor,is widely used in the electronic industry,owing to its superior electron transport properties.However,its brittle nature is a drawback that has so far significantly limited its application.An exploration of the structural deformation modes of GaAs under large strain at the atomic level,and the formulation of strategies to enhance its mechanical properties is highly desirable.The stressstrain relations and deformation modes of single-crystal and nanotwinned GaAs under various loading conditions are systematically investigated,using first-principles calculations.Our results show that the ideal strengths of nanotwinned GaAs are 14% and 15% higher than that of single-crystal GaAs under pure and indentation shear strains,respectively,without producing a significantly negative effect in terms of its electronic performance.The enhancement in strength stems from the rearrangement of directional covalent bonds at the twin boundary.Our results offer a fundamental understanding of the mechanical properties of single crystal GaAs,and provide insights into the strengthening mechanism of nanotwinned GaAs,which could prove highly beneficial in terms of developing reliable electronic devices.展开更多
Nonlinear magnetohydrodynamic(MHD) simulations of an equilibrium on the J-TEXT tokamak with applied resonant magnetic perturbations(RMPs) are performed with NIMROD(non-ideal MHD with rotation,open discussion).Nu...Nonlinear magnetohydrodynamic(MHD) simulations of an equilibrium on the J-TEXT tokamak with applied resonant magnetic perturbations(RMPs) are performed with NIMROD(non-ideal MHD with rotation,open discussion).Numerical simulation of plasma response to RMPs has been developed to investigate magnetic topology,plasma density and rotation profile.The results indicate that the pure applied RMPs can stimulate 2/1 mode as well as 3/1 mode by the toroidal mode coupling,and finally change density profile by particle transport.At the same time,plasma rotation plays an important role during the entire evolution process.展开更多
In this paper, the preparation of graphene oxide was achieved by Hummers method and the surface modification was achieved by poly(hexaneditiol), which was a synthetic thermotropic liquid crystalline polymer. The c-PHD...In this paper, the preparation of graphene oxide was achieved by Hummers method and the surface modification was achieved by poly(hexaneditiol), which was a synthetic thermotropic liquid crystalline polymer. The c-PHDT/GO/PF composites were prepared by blending, rolling and compression molding techniques. Then, the as-prepared samples were characterized by FTIR, Raman, XRD, TGA and POM to obtain information on their structures and properties. After that, the effects of c-PHDT/GO content on the mechanical properties, friction performance and dynamic mechanical performance of c-PHDT/GO/PF composites were studied by Mechanical and Dynamic Mechanical Analysis (DMA) methods. Also, Scanning Electron Microscope (SEM) was used for the characterization of wear and fracture surface morphology. The results revealed that the reinforcing effect of c-PHDT/GO was significant as a considerable enhancement on the mechanical performance of c-PHDT/GO/PF composite as compared to pure phenol-formaldehyde composites was observed: the impact strength, bending modulus and bending strength increased from 1.63 kJ/m2, 8.61 GPa and 41.55 MPa to 2.31 kJ/m2, 10.16 GPa and 54.40 MPa respectively at the c-PHDT/GO content = 0.75%. Moreover, the initial storage modulus increased by 28.4%, while the wear mass loss decreased by 17.8%. More importantly, the reinforcement by c-PHDT/GO was further enhanced as compared to GO/PF and p-PHDT/GO/PF composites, the impact strength of c-PHDT/GO/PF composite increased by 27.6% and 11.1%, the bending strength increased by 11.8% and 7.6%, the initial storage modulus increased by 16.2% and 4.2% and the mass loss due to wear decreased by 12.7% and 8.8%, respectively. Based on these results, we can conclude that the surface modification of GO by poly(hexanedithiol), which includes synergistic effect by c-PHDT and GO, improves the interfacial adhesion between GO and the resin matrix, thus reinforcing the composites.展开更多
Although,great achievements have been made in the synthesis of heterocycles using radical addition/cyclization strategy,developing versatile alkyl radical precursors,especially the non-stabilized long chain alkyl radi...Although,great achievements have been made in the synthesis of heterocycles using radical addition/cyclization strategy,developing versatile alkyl radical precursors,especially the non-stabilized long chain alkyl radicals for this strategy still remains a huge challenge.Herein,we report an efficient annulation cascade reaction between cyclosulfonium salts and alkenes for the synthesis of sulfur-containing N-heterocycles by visible light/copper catalysis under mild conditions.The C—S bond cleavage/radical cascade reaction delivers a variety of corresponding N-heterocycles containing aryl alkyl thioether motifs with good functional group tolerance.Significantly,the current system could be used for the late-stage functionalization of complex bioactive molecules.展开更多
An eco-friendly and convenient method is developed herein for the synthesis of S-aryl dithiocarbamates via visible-light-induced SET process of an EDA complex between thianthrenium salt functionalized arenes and dithi...An eco-friendly and convenient method is developed herein for the synthesis of S-aryl dithiocarbamates via visible-light-induced SET process of an EDA complex between thianthrenium salt functionalized arenes and dithiocarbamate anions under mild aqueous micellar conditions.This strategy indirectly realizes the method for constructing S-aryl dithiocarbamates through site-selective C−H functionalization of arenes.Most importantly,the reaction proceeded smoothly without addition of any photocatalyst,and the by-product thianthrene is recycled in quantity,ultimately minimizing the production of chemical waste.This protocol provides a promising synthesis candidate for the construction of valuable S-aryl dithiocarbamates,which also opens up a new avenue for micellar photocatalysis.展开更多
Background To compare the safety and efficacy of pipeline embolization device(PED)and Tubridge flow diverter(TFD)for unruptured posterior circulation aneurysms.Methods Posterior aneurysm patients treated with PED or T...Background To compare the safety and efficacy of pipeline embolization device(PED)and Tubridge flow diverter(TFD)for unruptured posterior circulation aneurysms.Methods Posterior aneurysm patients treated with PED or TFD between January,2019,and December,2021,were retrospectively reviewed.Patients’demographics,aneurysm characteristics,treatment details,complications,and follow-up information were collected.The procedural-related complications and angiographic and clinical outcome were compared.Results A total of 107 patients were involved;PED was applied for 55 patients and TFD for 52 patients.A total of 9(8.4%)procedural-related complications occurred,including 4(7.3%)in PED group and 5(9.6%)in TFD group.During a mean of 10.3-month angiographic follow-up for 81 patients,complete occlusion was achieved in 35(85.4%)patients in PED group and 30(75.0%)in TFD group.The occlusion rate of PED group is slightly higher than that of TFD group.A mean of 25.0-month clinical follow-up for 107 patients showed that favorable clinical outcome was achieved in 53(96.4%)patients in PED group and 50(96.2%)patients in TFD group,respectively.No statistical difference was found in terms of procedural-related complications(p=0.737),occlusion rate(p=0.241),and favorable clinical outcome(0.954)between groups.Conclusions The current study found no difference in complication,occlusion,and clinical outcome between PED and TFD for unruptured PCAs.展开更多
Internal alkynes are widespread skeletons in bioactive molecules and materials which are also used as important building blocks in chemical synthesis. Herein, we report a novel and efficient copper-catalyzed Sonogashi...Internal alkynes are widespread skeletons in bioactive molecules and materials which are also used as important building blocks in chemical synthesis. Herein, we report a novel and efficient copper-catalyzed Sonogashira reaction between sulfonium salts and alkynes through an anti-Markovnikov ring-opening pathway promoted by visible light. The coexistence of the nitrogen and phosphorus ligands in the system is the key to the success of this reaction. This radical type ring-opening reaction affords a new strategy for the synthesis of internal alkynes. Furthermore, this study is also an effective complement to the diverse reaction patterns of sulfonium salts.展开更多
Transition-metal-catalyzed decarboxylative and C–H functionalization strategy for the construction of Csp^(2)-Csp^(2),Csp^(2)-Csp,and Csp^(2)-Csp^(3) bonds has been extensively studied.However,research surveys of thi...Transition-metal-catalyzed decarboxylative and C–H functionalization strategy for the construction of Csp^(2)-Csp^(2),Csp^(2)-Csp,and Csp^(2)-Csp^(3) bonds has been extensively studied.However,research surveys of this synthetic strategy for the Csp^(3)-Csp^(3) bond forming reactions are surprisingly scarce.Herein,we present an efficient approach for the rapid formation of Csp^(3)–Csp^(3) bond through copper-catalyzed decarboxylative Csp^(3)–H functionalization.The present method should provide a useful access to C3-substituted indole scaffolds with possible biological activities.Mechanistic experiments and DFT calculations supported a dual-Cu(Ⅱ)-catalytic cycle involving rate-determining decarboxylation in an outer-sphere radical pathway and spin-crossover-promoted C–C bond formation.This strategy offers a promising synthesis method for the construction of Csp^(3)–Csp^(3) bond in the field of synthetic and pharmaceutical chemistry and extends the number of still limited copper-catalyzed decarboxylative Csp^(3)–Csp^(3) bond forming reaction.展开更多
The atomistic structures of solid–solid interfaces are of fundamental interests for understanding physical properties of interfacial materials. However, determination of interface structures faces a substantial chall...The atomistic structures of solid–solid interfaces are of fundamental interests for understanding physical properties of interfacial materials. However, determination of interface structures faces a substantial challenge, both experimentally and theoretically. Here, we propose an efficient method for predicting interface structures via the generalization of our in-house developed CALYPSO method for structure prediction. We devised a lattice match toolkit that allows us to automatically search for the optimal latticematched superlattice for construction of the interface structures. In addition, bonding constraints(e.g.,constraints on interatomic distances and coordination numbers of atoms) are imposed to generate better starting interface structures by taking advantages of the known bonding environment derived from the stable bulk phases. The interface structures evolve by following interfacially confined swarm intelligence algorithm, which is known to be efficient for exploration of potential energy surface. The method was validated by correctly predicting a number of known interface structures with only given information of two parent solids. The application of the developed method leads to prediction of two unknown grain boundary(GB) structures(r-GB and p-GB) of rutile TiO_2 ∑5(2 1 0) under an O reducing atmosphere that contained Ti^(3+)as the result of O defects. Further calculations revealed that the intrinsic band gap of p-GB is reduced to 0.7 eV owing to substantial broadening of the Ti-3 d interfacial levels from Ti^(3+)centers.Our results demonstrated that introduction of grain boundaries is an effective strategy to engineer the electronic properties and thus enhance the visible-light photoactivity of TiO_2.展开更多
Cold acclimation in Arabidopsis thaliana triggers a significant transcriptional reprogramming altering the expression patterns of thousands of cold-responsive(COR) genes. Essential to this process is the C-repeat bind...Cold acclimation in Arabidopsis thaliana triggers a significant transcriptional reprogramming altering the expression patterns of thousands of cold-responsive(COR) genes. Essential to this process is the C-repeat binding factor(CBF)-dependent pathway, involving the activity of AP2/ERF(APETALA2/ethylene-responsive factor)-type CBF transcription factors required for plant cold acclimation. In this study, we performed chromatin immunoprecipitation assays followed by deep sequencing(ChIP-seq) to determine the genomewide binding sites of the CBF transcription factors. Cold-induced CBF proteins specifically bind to the conserved C-repeat(CRT)/dehydrationresponsive elements(CRT/DRE;G/ACCGAC) of their target genes. A Gene Ontology enrichment analysis showed that 1,012 genes are targeted by all three CBFs. Combined with a transcriptional analysis of the cbf1,2,3 triple mutant, we define 146 CBF regulons as direct CBF targets. In addition, the CBF-target genes are significantly enriched in functions associated with hormone, light,and circadian rhythm signaling, suggesting that the CBFs act as key integrators of endogenous and external environmental cues. Our findings not only define the genome-wide binding patterns of the CBFs during the early cold response, but also provide insights into the role of the CBFs in regulating multiple biological processes of plants.展开更多
Mission-critical software (MCS) must provide continuous, online services to ensure the successful accomplish- ment of critical missions. Self-adaptation is particularly desirable for assuring the quality of service ...Mission-critical software (MCS) must provide continuous, online services to ensure the successful accomplish- ment of critical missions. Self-adaptation is particularly desirable for assuring the quality of service (QoS) and availability of MCS under uncertainty. Few techniques have insofar addressed the issue of MCS self-adaptation, and most existing approaches to software self-adaptation fail to take into account uncertainty in the self-adaptation loop. To tackle this problem, we propose a fuzzy control based approach, i.e., Software Fuzzy Self-Adaptation (SFSA), with a view to deal with the challenge of MCS self-adaptation under uncertainty. First, we present the SFSA conceptual framework, consisting of sensing, deciding and acting stages, and establish the formal model of SFSA to lay a rigorous and mathematical foundation of our approach. Second, we develop a novel SFSA implementation technology as well as its supporting tool, i.e., the SFSA toolkit, to automate the realization process of SFSA. Finally, we demonstrate the effectiveness of our approach through the development of an adaptive MCS application in process control systems. Validation experiments show that the fuzzy control based approach proposed in this work is effective and with low overheads.展开更多
Materials informatics has emerged as a promisingly new paradigm for accelerating materials discovery and design.It exploits the intelligent power of machine learning methods in massive materials data from experiments ...Materials informatics has emerged as a promisingly new paradigm for accelerating materials discovery and design.It exploits the intelligent power of machine learning methods in massive materials data from experiments or simulations to seek new materials,functionality,and principles,etc.Developing specialized facilities to generate,collect,manage,learn,and mine large-scale materials data is crucial to materials informatics.We herein developed an artificial-intelligence-aided data-driven infrastructure named Jilin Artificial-intelligence aided Materials-design Integrated Package(JAMIP),which is an open-source Python framework to meet the research requirements of computational materials informatics.It is integrated by materials production factory,high-throughput first-principles calculations engine,automatic tasks submission and monitoring progress,data extraction,management and storage system,and artificial intelligence machine learning based data mining functions.We have integrated specific features such as an inorganic crystal structure prototype database to facilitate high-throughput calculations and essential modules associated with machine learning studies of functional materials.We demonstrated how our developed code is useful in exploring materials informatics of optoelectronic semiconductors by taking halide perovskites as typical case.By obeying the principles of automation,extensibility,reliability,and intelligence,the JAMIP code is a promisingly powerful tool contributing to the fast-growing field of computational materials informatics.展开更多
Protein phosphorylation and dephosphorylation have been reported to play important roles in plant cold responses.In addition,phospho-regulatory feedback is a conserved mechanism for biological processes and stress res...Protein phosphorylation and dephosphorylation have been reported to play important roles in plant cold responses.In addition,phospho-regulatory feedback is a conserved mechanism for biological processes and stress responses in animals and plants.However,it is less well known that a regulatory feedback loop is formed by the protein kinase and the protein phosphatase in plant responses to cold stress.Here,we report that OPEN STOMATA 1(OST1)and PROTEIN PHOSPHATASE 2C G GROUP 1(PP2CG1)reciprocally regulate the activity during the cold stress response.The interaction of PP2CG1 and OST1 is inhibited by cold stress,which results in the release of OST1 at the cytoplasm and nucleus from suppression by PP2CG1.Interestingly,cold-activated OST1 phosphorylates PP2CG1 to suppress its phosphatase activity,thereby amplifying cold signaling in plants.Mutations of PP2CG1 and its homolog PP2CG2 enhance freezing tolerance,whereas overexpression of PP2CG1 decreases freezing tolerance.Moreover,PP2CG1 negatively regulates protein levels of C-REPEAT BINDING FACTORs(CBFs)under cold stress.Our results uncover a phosphor/dephosphor-regulatory feedback loop mediated by PP2CG1 phosphatase and OST1 protein kinase in plant cold responses.展开更多
基金supported by National Natural Science Foundation Grant 52065010the Science and Technology Project supported by Guizhou Province of China ZK[2021]341 and[2021]397the transformation Project of Scientific and Technological Achievements in Guiyang,Guizhou Province,China[2021]7-3.
文摘A second-generation fast Non-dominated Sorting Genetic Algorithm product shape multi-objective imagery optimization model based on degradation(DNSGA-II)strategy is proposed to make the product appearance optimization scheme meet the complex emotional needs of users for the product.First,the semantic differential method and K-Means cluster analysis are applied to extract the multi-objective imagery of users;then,the product multidimensional scale analysis is applied to classify the research objects,and again the reference samples are screened by the semantic differentialmethod,and the samples are parametrized in two dimensions by using elliptic Fourier analysis;finally,the fuzzy dynamic evaluation function is used as the objective function of the algorithm,and the coordinates of key points of product contours Finally,with the fuzzy dynamic evaluation function as the objective function of the algorithm and the coordinates of key points of the product profile as the decision variables,the optimal product profile solution set is solved by DNSGA-II.The validity of the model is verified by taking the optimization of the shape scheme of the hospital connection site as an example.For comparison with DNSGA-II,other multi-objective optimization algorithms are also presented.To evaluate the performance of each algorithm,the performance evaluation index values of the five multi-objective optimization algorithms are calculated in this paper.The results show that DNSGA-II is superior in improving individual diversity and has better overall performance.
基金The study was reviewed and approved by the Fourth Hospital of Hebei Medical University Institutional Review Board(Approval No.2019082).
文摘BACKGROUND We previously showed,using the Traditional Chinese Medicine System Pharmacology Database,that Gegen Qinlian decoction(GQD)had a direct antitumor effect,and was combined with programmed cell death protein(PD)-1 inhibitors to treat microsatellite stable(MSS)tumor-bearing mice.However,the effect of GQD on patients with colorectal cancer(CRC)is not clear.AIM To determine the therapeutic mechanism of GQD in improving immune function,reducing inflammation and protecting intestinal barrier function.METHODS Seventy patients with CRC were included in this study:37 in the control group and 33 in the treatment group.The proportions of CD4+T,CD8+T,natural killer(NK),NKT and T regulatory cells were measured by flow cytometry.Levels of the cytokines tumor necrosis factor(TNF)-α,interferon(IFN)-γ,interleukin(IL)-2,IL-6,IL-10 and serotonin(5-hydroxytryptamine;5-HT)in serum were assessed by enzyme-linked immunosorbent assay(ELISA).The expression of zonula occludens(ZO)-1,occludin,nuclear factor(NF)-κB and TNF-αin tumor and normal tissues was measured by immunohistochemistry.The composition of gut microbiota from patients in the treatment group was assessed using 16S rDNA analysis.RESULTS There were no adverse events in the treatment group.The proportion of CD4+T cells and NKT cells in the post-treatment group was significantly higher than that in the pre-treatment and control groups(P<0.05).The level of TNF-αin the posttreatment group was significantly lower than that in the pre-treatment and control groups(P<0.05).The concentration of 5-HT in the post-treatment group was significantly lower than that in the pre-treatment group(P<0.05).The expression of ZO-1 and occludin in tumor tissues in the treatment group was significantly higher than that in the control group(P<0.05).The expression of ZO-1 in normal tissues of the treatment group was significantly higher than that in the control group(P=0.010).Compared with the control group,expression of NF-κB and TNF-αin tumor tissues of the treatment group was significantly decreased(P<0.05).Compared with the pre-treatment group,GQD decreased the relative abundance of Megamonas and Veillonella.In addition,GQD increased the relative abundance of Bacteroides,Akkermansia and Prevotella.CONCLUSION GQD enhances immunity and protects intestinal barrier function in patients with CRC by regulating the composition of gut microbiota.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11534003 and 11604117)the National Key Research and Development Program of China(Grant No.2016YFB0201201)+1 种基金the Program for JLU Science and Technology Innovative Research Team(JLUSTIRT)of Chinathe Science Challenge Project of China(Grant No.TZ2016001)
文摘Structure prediction methods have been widely used as a state-of-the-art tool for structure searches and materials discovery, leading to many theory-driven breakthroughs on discoveries of new materials. These methods generally involve the exploration of the potential energy surfaces of materials through various structure sampling techniques and optimization algorithms in conjunction with quantum mechanical calculations. By taking advantage of the general feature of materials potential energy surface and swarm-intelligence-based global optimization algorithms, we have developed the CALYPSO method for structure prediction, which has been widely used in fields as diverse as computational physics, chemistry, and materials science. In this review, we provide the basic theory of the CALYPSO method, placing particular emphasis on the principles of its various structure dealing methods. We also survey the current challenges faced by structure prediction methods and include an outlook on the future developments of CALYPSO in the conclusions.
基金This work was supported by the National Natural Science Foundation of China(Grant Nos.11534003,11874175,11874176,12074138,and 11974134)the Science Challenge Project(Grant No.TZ2016001)+3 种基金the Fundamental Research Funds for the Central Universities(Jilin University,JLU)the Program for JLU Science and Technology Innovative Research Team(JLUSTIRT)the Strategic Priority Research Program of the Chinese Academy of Sciences(Grant No.XDB33000000)the Jilin Province Outstanding Young Talents Project(Grant No.20190103040JH).
文摘A dream long held by physicists has been to raise the critical temperature(Tc)—the temperature below which the material exhibits no electrical resistance—of a superconductor to room temperature.The most recent excitement in that regard has centered on rare-earth superhydrides,of which LaH10 at 190 GPa has a remarkably high Tc of 260 K.
基金supported by National Natural Science Foundation of China(U1866203,11674263,21805221)Postdoctoral Research Foundation of China(2019M663690,2020M671606)+3 种基金National Natural Science Foundation of Shaanxi Province(2020JZ-03)Key Scientific and Technological Innovation Team of Shaanxi Province(2020TD-001)the Fundamental Research Funds for the Central Universities and the World-Class Universities(Disciplines)the Characteristic Development Guidance Funds for the Central Universities。
文摘Based on the great advantages of an inner hollow structure and excellent solid counterpart capacity,complex hierarchical structures have been widely used as electrodes for lithium-ion batteries.Herein,hierarchical yolk-shell Cu_(2)O@Cu O-decorated RGO(YSRs)was designed and synthesized via a multistep approach.Octahedron-like Cu_(2)O-decorated RGO was firstly produced,in which GO was reduced slightly while cuprous oxide was synthesized.Subsequently,the controlled oxidation of Cu_(2)O@RGO led to the synthesis of special YSRs,which were composed of a solid Cu_(2)O core,spur-CuO,CuO shell,and RGO covered.As anode materials,YSRs could provide considerable capacity density.Meanwhile,the void existed between shells and solid active materials retaining the advantages of inner hollow structure.As a result,the unique architecture of the materials renders the composites with enhanced electronic and ionic diffusion kinetics,high specific capacity(~894 m Ah g^(-1),0.1 C),and an excellent rate capability.
文摘BACKGROUND Most major abdominal vascular injuries are caused by penetrating injuries.A common iliac artery occlusion caused by blunt force trauma is rare,and very few cases have been reported.Because of this low incidence,atypical symptoms,and frequent association with other severe injuries,the proper diagnosis tends to be missed or delayed.The gold standard for diagnosis is angiography,and treatment remains a challenge.CASE SUMMARY We report here the unusual case of a common iliac artery occlusion caused by blunt abdominal compressive trauma,with transection of the small intestine.At presentation,the patient(a 56-year-old man)complained of pain and numbness in the left lower extremity and severe pain in the whole abdomen.Physical examination showed total abdominal tenderness with evidence of peritoneal irritation.The left lower limb was pulseless and cold.Abdominal computed tomography examination revealed digestive tract perforation,and abdominal computed tomography angiography showed left common iliac artery occlusion.The patient was treated successfully by anastomosis of the intestine,percutaneous transluminal angioplasty,and stenting.The patient was followed for more than 11 mo after the operation and showed a good recovery.CONCLUSION Patients with abdominal trauma should be suspected of having major vascular injury.Individualized treatment strategies are needed for this condition.
基金Project supported by the National Natural Science Foundation of China (Grant Nos. 12034009, 91961204, and 11974134)。
文摘As a fundamental thermodynamic variable, pressure can alter the bonding patterns and drive phase transitions leading to the creation of new high-pressure phases with exotic properties that are inaccessible at ambient pressure. Using the swarm intelligence structural prediction method, the phase transition of TiF_(3), from R-3c to the Pnma phase, was predicted at high pressure, accompanied by the destruction of TiF_6 octahedra and formation of TiF_8 square antiprismatic units. The Pnma phase of TiF_(3), formed using the laser-heated diamond-anvil-cell technique was confirmed via high-pressure x-ray diffraction experiments. Furthermore, the in situ electrical measurements indicate that the newly found Pnma phase has a semiconducting character, which is also consistent with the electronic band structure calculations. Finally, it was shown that this pressure-induced phase transition is a general phenomenon in ScF_(3), VF_(3), CrF_(3), and MnF_(3), offering valuable insights into the high-pressure phases of transition metal trifluorides.
基金the National Key Research and Development Program of China(Grant No.2018YFA0703400)the National Natural Science Foundation of China(Grant Nos.11704044 and 11974134)+1 种基金the Jilin Province Outstanding Young Talents Project(Grant No.20190103040JH)the China Postdoctoral Science Foundation(Grant No.2018M631870)。
文摘Gallium arsenide(GaAs),a typical covalent semiconductor,is widely used in the electronic industry,owing to its superior electron transport properties.However,its brittle nature is a drawback that has so far significantly limited its application.An exploration of the structural deformation modes of GaAs under large strain at the atomic level,and the formulation of strategies to enhance its mechanical properties is highly desirable.The stressstrain relations and deformation modes of single-crystal and nanotwinned GaAs under various loading conditions are systematically investigated,using first-principles calculations.Our results show that the ideal strengths of nanotwinned GaAs are 14% and 15% higher than that of single-crystal GaAs under pure and indentation shear strains,respectively,without producing a significantly negative effect in terms of its electronic performance.The enhancement in strength stems from the rearrangement of directional covalent bonds at the twin boundary.Our results offer a fundamental understanding of the mechanical properties of single crystal GaAs,and provide insights into the strengthening mechanism of nanotwinned GaAs,which could prove highly beneficial in terms of developing reliable electronic devices.
基金supported by the National Magnetic Confinement Fusion Science Programs(No.2015GB104004 and No.2015GB111002)partially supported by National Natural Science Foundation of China(No.11575068)
文摘Nonlinear magnetohydrodynamic(MHD) simulations of an equilibrium on the J-TEXT tokamak with applied resonant magnetic perturbations(RMPs) are performed with NIMROD(non-ideal MHD with rotation,open discussion).Numerical simulation of plasma response to RMPs has been developed to investigate magnetic topology,plasma density and rotation profile.The results indicate that the pure applied RMPs can stimulate 2/1 mode as well as 3/1 mode by the toroidal mode coupling,and finally change density profile by particle transport.At the same time,plasma rotation plays an important role during the entire evolution process.
文摘In this paper, the preparation of graphene oxide was achieved by Hummers method and the surface modification was achieved by poly(hexaneditiol), which was a synthetic thermotropic liquid crystalline polymer. The c-PHDT/GO/PF composites were prepared by blending, rolling and compression molding techniques. Then, the as-prepared samples were characterized by FTIR, Raman, XRD, TGA and POM to obtain information on their structures and properties. After that, the effects of c-PHDT/GO content on the mechanical properties, friction performance and dynamic mechanical performance of c-PHDT/GO/PF composites were studied by Mechanical and Dynamic Mechanical Analysis (DMA) methods. Also, Scanning Electron Microscope (SEM) was used for the characterization of wear and fracture surface morphology. The results revealed that the reinforcing effect of c-PHDT/GO was significant as a considerable enhancement on the mechanical performance of c-PHDT/GO/PF composite as compared to pure phenol-formaldehyde composites was observed: the impact strength, bending modulus and bending strength increased from 1.63 kJ/m2, 8.61 GPa and 41.55 MPa to 2.31 kJ/m2, 10.16 GPa and 54.40 MPa respectively at the c-PHDT/GO content = 0.75%. Moreover, the initial storage modulus increased by 28.4%, while the wear mass loss decreased by 17.8%. More importantly, the reinforcement by c-PHDT/GO was further enhanced as compared to GO/PF and p-PHDT/GO/PF composites, the impact strength of c-PHDT/GO/PF composite increased by 27.6% and 11.1%, the bending strength increased by 11.8% and 7.6%, the initial storage modulus increased by 16.2% and 4.2% and the mass loss due to wear decreased by 12.7% and 8.8%, respectively. Based on these results, we can conclude that the surface modification of GO by poly(hexanedithiol), which includes synergistic effect by c-PHDT and GO, improves the interfacial adhesion between GO and the resin matrix, thus reinforcing the composites.
基金the National Natural Science Foundation of China(22271170)the Scientific Research Foundation of Qingdao University of Science and Technology.
文摘Although,great achievements have been made in the synthesis of heterocycles using radical addition/cyclization strategy,developing versatile alkyl radical precursors,especially the non-stabilized long chain alkyl radicals for this strategy still remains a huge challenge.Herein,we report an efficient annulation cascade reaction between cyclosulfonium salts and alkenes for the synthesis of sulfur-containing N-heterocycles by visible light/copper catalysis under mild conditions.The C—S bond cleavage/radical cascade reaction delivers a variety of corresponding N-heterocycles containing aryl alkyl thioether motifs with good functional group tolerance.Significantly,the current system could be used for the late-stage functionalization of complex bioactive molecules.
基金supported by the National Natural Science Foundation of China(No.22271170)the Scientific Research Foundation of Qingdao University of Science and Technology。
文摘An eco-friendly and convenient method is developed herein for the synthesis of S-aryl dithiocarbamates via visible-light-induced SET process of an EDA complex between thianthrenium salt functionalized arenes and dithiocarbamate anions under mild aqueous micellar conditions.This strategy indirectly realizes the method for constructing S-aryl dithiocarbamates through site-selective C−H functionalization of arenes.Most importantly,the reaction proceeded smoothly without addition of any photocatalyst,and the by-product thianthrene is recycled in quantity,ultimately minimizing the production of chemical waste.This protocol provides a promising synthesis candidate for the construction of valuable S-aryl dithiocarbamates,which also opens up a new avenue for micellar photocatalysis.
基金supported by the National Natural Science Foundation of China(Grant Number 82171289)the Beijing Gold-Bridge Project(Grant number ZZ21060)
文摘Background To compare the safety and efficacy of pipeline embolization device(PED)and Tubridge flow diverter(TFD)for unruptured posterior circulation aneurysms.Methods Posterior aneurysm patients treated with PED or TFD between January,2019,and December,2021,were retrospectively reviewed.Patients’demographics,aneurysm characteristics,treatment details,complications,and follow-up information were collected.The procedural-related complications and angiographic and clinical outcome were compared.Results A total of 107 patients were involved;PED was applied for 55 patients and TFD for 52 patients.A total of 9(8.4%)procedural-related complications occurred,including 4(7.3%)in PED group and 5(9.6%)in TFD group.During a mean of 10.3-month angiographic follow-up for 81 patients,complete occlusion was achieved in 35(85.4%)patients in PED group and 30(75.0%)in TFD group.The occlusion rate of PED group is slightly higher than that of TFD group.A mean of 25.0-month clinical follow-up for 107 patients showed that favorable clinical outcome was achieved in 53(96.4%)patients in PED group and 50(96.2%)patients in TFD group,respectively.No statistical difference was found in terms of procedural-related complications(p=0.737),occlusion rate(p=0.241),and favorable clinical outcome(0.954)between groups.Conclusions The current study found no difference in complication,occlusion,and clinical outcome between PED and TFD for unruptured PCAs.
基金supported by the National Natural Science Foundation of China(22271170)the Scientific Research Foundation of Qingdao University of Science and Technology(1203043003457).
文摘Internal alkynes are widespread skeletons in bioactive molecules and materials which are also used as important building blocks in chemical synthesis. Herein, we report a novel and efficient copper-catalyzed Sonogashira reaction between sulfonium salts and alkynes through an anti-Markovnikov ring-opening pathway promoted by visible light. The coexistence of the nitrogen and phosphorus ligands in the system is the key to the success of this reaction. This radical type ring-opening reaction affords a new strategy for the synthesis of internal alkynes. Furthermore, this study is also an effective complement to the diverse reaction patterns of sulfonium salts.
基金supported by the National Natural Science Foundation of China(No.21702119)Natural Science Foundation of Shandong Province(Nos.ZR2016JL012,ZR2020JQ07)the Scientific Research Foundation of Qingdao University of Science and Technology(No.1203043003457)。
文摘Transition-metal-catalyzed decarboxylative and C–H functionalization strategy for the construction of Csp^(2)-Csp^(2),Csp^(2)-Csp,and Csp^(2)-Csp^(3) bonds has been extensively studied.However,research surveys of this synthetic strategy for the Csp^(3)-Csp^(3) bond forming reactions are surprisingly scarce.Herein,we present an efficient approach for the rapid formation of Csp^(3)–Csp^(3) bond through copper-catalyzed decarboxylative Csp^(3)–H functionalization.The present method should provide a useful access to C3-substituted indole scaffolds with possible biological activities.Mechanistic experiments and DFT calculations supported a dual-Cu(Ⅱ)-catalytic cycle involving rate-determining decarboxylation in an outer-sphere radical pathway and spin-crossover-promoted C–C bond formation.This strategy offers a promising synthesis method for the construction of Csp^(3)–Csp^(3) bond in the field of synthetic and pharmaceutical chemistry and extends the number of still limited copper-catalyzed decarboxylative Csp^(3)–Csp^(3) bond forming reaction.
基金supported by the National Natural Science Foundation of China(11774127,11822404 and 11534003)the National Key Research and Development Program of China(2016YFB0201200,2016YFB0201201,and 2016YFB0201204)+1 种基金the Program for JLU Science and Technology Innovative Research Team(JLUSTIRT)the Science Challenge Project(TZ2016001)
文摘The atomistic structures of solid–solid interfaces are of fundamental interests for understanding physical properties of interfacial materials. However, determination of interface structures faces a substantial challenge, both experimentally and theoretically. Here, we propose an efficient method for predicting interface structures via the generalization of our in-house developed CALYPSO method for structure prediction. We devised a lattice match toolkit that allows us to automatically search for the optimal latticematched superlattice for construction of the interface structures. In addition, bonding constraints(e.g.,constraints on interatomic distances and coordination numbers of atoms) are imposed to generate better starting interface structures by taking advantages of the known bonding environment derived from the stable bulk phases. The interface structures evolve by following interfacially confined swarm intelligence algorithm, which is known to be efficient for exploration of potential energy surface. The method was validated by correctly predicting a number of known interface structures with only given information of two parent solids. The application of the developed method leads to prediction of two unknown grain boundary(GB) structures(r-GB and p-GB) of rutile TiO_2 ∑5(2 1 0) under an O reducing atmosphere that contained Ti^(3+)as the result of O defects. Further calculations revealed that the intrinsic band gap of p-GB is reduced to 0.7 eV owing to substantial broadening of the Ti-3 d interfacial levels from Ti^(3+)centers.Our results demonstrated that introduction of grain boundaries is an effective strategy to engineer the electronic properties and thus enhance the visible-light photoactivity of TiO_2.
基金This work was supported by the National Natural Sciences Foundation of China(31872658,32022008,31921001)。
文摘Cold acclimation in Arabidopsis thaliana triggers a significant transcriptional reprogramming altering the expression patterns of thousands of cold-responsive(COR) genes. Essential to this process is the C-repeat binding factor(CBF)-dependent pathway, involving the activity of AP2/ERF(APETALA2/ethylene-responsive factor)-type CBF transcription factors required for plant cold acclimation. In this study, we performed chromatin immunoprecipitation assays followed by deep sequencing(ChIP-seq) to determine the genomewide binding sites of the CBF transcription factors. Cold-induced CBF proteins specifically bind to the conserved C-repeat(CRT)/dehydrationresponsive elements(CRT/DRE;G/ACCGAC) of their target genes. A Gene Ontology enrichment analysis showed that 1,012 genes are targeted by all three CBFs. Combined with a transcriptional analysis of the cbf1,2,3 triple mutant, we define 146 CBF regulons as direct CBF targets. In addition, the CBF-target genes are significantly enriched in functions associated with hormone, light,and circadian rhythm signaling, suggesting that the CBFs act as key integrators of endogenous and external environmental cues. Our findings not only define the genome-wide binding patterns of the CBFs during the early cold response, but also provide insights into the role of the CBFs in regulating multiple biological processes of plants.
基金Supported by the National Natural Science Foundation of China under Grant Nos. 60736015, 61073031, 60973044, 61003019, and the National Basic Research 973 Program of China under Grant No. 2009CB320702.
文摘Mission-critical software (MCS) must provide continuous, online services to ensure the successful accomplish- ment of critical missions. Self-adaptation is particularly desirable for assuring the quality of service (QoS) and availability of MCS under uncertainty. Few techniques have insofar addressed the issue of MCS self-adaptation, and most existing approaches to software self-adaptation fail to take into account uncertainty in the self-adaptation loop. To tackle this problem, we propose a fuzzy control based approach, i.e., Software Fuzzy Self-Adaptation (SFSA), with a view to deal with the challenge of MCS self-adaptation under uncertainty. First, we present the SFSA conceptual framework, consisting of sensing, deciding and acting stages, and establish the formal model of SFSA to lay a rigorous and mathematical foundation of our approach. Second, we develop a novel SFSA implementation technology as well as its supporting tool, i.e., the SFSA toolkit, to automate the realization process of SFSA. Finally, we demonstrate the effectiveness of our approach through the development of an adaptive MCS application in process control systems. Validation experiments show that the fuzzy control based approach proposed in this work is effective and with low overheads.
基金supported by the National Natural Science Foundation of China(61722403,92061113,and 12004131)the Interdisciplinary Research Grant for Ph Ds of Jilin University(101832020DJX043)。
文摘Materials informatics has emerged as a promisingly new paradigm for accelerating materials discovery and design.It exploits the intelligent power of machine learning methods in massive materials data from experiments or simulations to seek new materials,functionality,and principles,etc.Developing specialized facilities to generate,collect,manage,learn,and mine large-scale materials data is crucial to materials informatics.We herein developed an artificial-intelligence-aided data-driven infrastructure named Jilin Artificial-intelligence aided Materials-design Integrated Package(JAMIP),which is an open-source Python framework to meet the research requirements of computational materials informatics.It is integrated by materials production factory,high-throughput first-principles calculations engine,automatic tasks submission and monitoring progress,data extraction,management and storage system,and artificial intelligence machine learning based data mining functions.We have integrated specific features such as an inorganic crystal structure prototype database to facilitate high-throughput calculations and essential modules associated with machine learning studies of functional materials.We demonstrated how our developed code is useful in exploring materials informatics of optoelectronic semiconductors by taking halide perovskites as typical case.By obeying the principles of automation,extensibility,reliability,and intelligence,the JAMIP code is a promisingly powerful tool contributing to the fast-growing field of computational materials informatics.
基金This work was supported by the National Key Research and Development Project(2020YFA0509902)the National Natural Science Foundation of China(31730011,31970295,31921001),and Beijing Outstanding University Discipline Program.
文摘Protein phosphorylation and dephosphorylation have been reported to play important roles in plant cold responses.In addition,phospho-regulatory feedback is a conserved mechanism for biological processes and stress responses in animals and plants.However,it is less well known that a regulatory feedback loop is formed by the protein kinase and the protein phosphatase in plant responses to cold stress.Here,we report that OPEN STOMATA 1(OST1)and PROTEIN PHOSPHATASE 2C G GROUP 1(PP2CG1)reciprocally regulate the activity during the cold stress response.The interaction of PP2CG1 and OST1 is inhibited by cold stress,which results in the release of OST1 at the cytoplasm and nucleus from suppression by PP2CG1.Interestingly,cold-activated OST1 phosphorylates PP2CG1 to suppress its phosphatase activity,thereby amplifying cold signaling in plants.Mutations of PP2CG1 and its homolog PP2CG2 enhance freezing tolerance,whereas overexpression of PP2CG1 decreases freezing tolerance.Moreover,PP2CG1 negatively regulates protein levels of C-REPEAT BINDING FACTORs(CBFs)under cold stress.Our results uncover a phosphor/dephosphor-regulatory feedback loop mediated by PP2CG1 phosphatase and OST1 protein kinase in plant cold responses.