3-dimension HPNX offiattice model is developed from the 2-dimension HP offiattice model. In the HP model, 20 types of amino acid monomers are divided into two classes, H （non-polar monomer） and P （polar monomer）. ...3-dimension HPNX offiattice model is developed from the 2-dimension HP offiattice model. In the HP model, 20 types of amino acid monomers are divided into two classes, H （non-polar monomer） and P （polar monomer）. In the HPNX model, polar monomers are split into positively charged （P）, negatively charged （N） and neutral （X） monomers. A new evolutionary algorithm is applied to study long chains of the HPNX offiattice protein model. This method successfully predict the structures of several proteins in the 3-dimension space that are similar to the structures gotten by X-Ray Crystallography and NMR and published in the PDB（Protein Data Bank）.展开更多
Ribonucleic acids(RNAs)play a vital role in biology,and knowledge of their three-dimensional(3D)structure is required to understand their biological functions.Recently structural prediction methods have been developed...Ribonucleic acids(RNAs)play a vital role in biology,and knowledge of their three-dimensional(3D)structure is required to understand their biological functions.Recently structural prediction methods have been developed to address this issue,but a series of RNA 3D structures are generally predicted by most existing methods.Therefore,the evaluation of the predicted structures is generally indispensable.Although several methods have been proposed to assess RNA 3D structures,the existing methods are not precise enough.In this work,a new all-atom knowledge-based potential is developed for more accurately evaluating RNA 3D structures.The potential not only includes local and nonlocal interactions but also fully considers the specificity of each RNA by introducing a retraining mechanism.Based on extensive test sets generated from independent methods,the proposed potential correctly distinguished the native state and ranked near-native conformations to effectively select the best.Furthermore,the proposed potential precisely captured RNA structural features such as base-stacking and base-pairing.Comparisons with existing potential methods show that the proposed potential is very reliable and accurate in RNA 3D structure evaluation.展开更多
Solar evaporation is a sustainable pathway for diverse water treatment technologies.The contactless evaporation stands out for its superior anti-contamination property.However,the evaporation performance is significan...Solar evaporation is a sustainable pathway for diverse water treatment technologies.The contactless evaporation stands out for its superior anti-contamination property.However,the evaporation performance is significantly limited by the non-contact heat transport,which is more pronounced in scalable applications with suppressed vapor escaping and tilted solar irradiation.Here,we propose a high-performance contactless solar evaporation design with three-dimensional(3D)solar-heating and vapor-escaping structure.Our theoretical analysis reveals that mass transport is the true bottleneck of contactless solar evaporation in scalable application,and can be significantly improved by our 3D design.A laboratory solar evaporation rate of 1.03 kg m^(-2)h^(-1)was demonstrated with our 3D design,which was 110%higher than the conventional design.Owing to the enhanced solar harvesting and transport,an average evaporation rate of 1.21 kg m^(-2)h^(-1)was demonstrated in outdoor field test with dilute solar flux of 589.98 W m^(-2).The scalability of 3D design was proved by the minimal difference(3%)in natural seawater evaporation performance between the small and large 3D devices.This work provides a robust,high-performance,and scalable solution for solar evaporation,especially for those scenarios with limited tolerance for contamination.展开更多
Lithium(Li)metal is considered the most promising anode material for the next generation of secondary batteries due to its high theoretical specific capacity and low potential.However,the application of Li anode in re...Lithium(Li)metal is considered the most promising anode material for the next generation of secondary batteries due to its high theoretical specific capacity and low potential.However,the application of Li anode in rechargeable Li metal batteries(LMBs)is hindered due to the short cycle life caused by uncontrolled dendrite growth.In this work,a dendrite-free anode(Li–Sn/Cu)is reinforced synergistically by lithophilic alloy,and a 3D grid structure is designed.Li^(+)diffusion and uniform nucleation are effectively induced by the lithophilic alloy Li_(22)Sn_(5).Moreover,homogeneous deposition of Li^(+)is caused by the reversible gridded Li plating/stripping effect of Cu mesh.Furthermore,the local space electric field is redistributed throughout the 3D conductive network,whereby the tip effect is suppressed,thus inhibiting the growth of Li dendrites.Also,the volume expansion of the anode during cycling is eased by the 3D grid structure.The results show that the Li–Sn/Cu symmetric battery can stably cycle for more than 10,000 h at 2 mA.cm^(-2)and 1 mAh.cm^(-2)with a low overpotential.The capacity retention of the LiFePO_(4)full battery remains above 90.7%after 1,000 cycles at 1C.This work provides a facile,low-cost,and effective strategy for obtaining Li metal batteries with ultra-long cycle life.展开更多
Methods and procedures of three-dimensional （3D） characterization of the pore structure features in the packed ore particle bed are focused. X-ray computed tomography was applied to deriving the cross-sectional imag...Methods and procedures of three-dimensional （3D） characterization of the pore structure features in the packed ore particle bed are focused. X-ray computed tomography was applied to deriving the cross-sectional images of specimens with single particle size of 1-2, 2-3, 3-4, 4-5, 5-6, 6-7, 7-8, 8-9, 9-10 ram. Based on the in-house developed 3D image analysis programs using Matlab, the volume porosity, pore size distribution and degree of connectivity were calculated and analyzed in detail. The results indicate that the volume porosity, the mean diameter of pores and the effective pore size （d50） increase with the increasing of particle size. Lognormal distribution or Gauss distribution is mostly suitable to model the pore size distribution. The degree of connectivity investigated on the basis of cluster-labeling algorithm also increases with increasing the particle size approximately.展开更多
Understanding the continental margin of the Northeastern South China Sea is critical to the study of deep structures, tectonic evolution, and dynamics of the region. One set of important data for this endeavor is the ...Understanding the continental margin of the Northeastern South China Sea is critical to the study of deep structures, tectonic evolution, and dynamics of the region. One set of important data for this endeavor is the total-field magnetic data. Given the challenges associated with the magnetic data at low latitudes and with remanent magnetism in this area, we combine the equivalent-source technique and magnetic amplitude inversion to recover 3D subsurface magnetic structures. The inversion results show that this area is characterized by a north-south block division and east-west zonation. Magnetic regions strike in EW, NE and NW direction and are consistent with major tectonic trends in the region. The highly magnetic zone recovered from inversion in the continental margin differs visibly from that of the magnetically quiet zones to the south. The magnetic anomaly zone strikes in NE direction, covering an area of about 500 km × 60 km, and extending downward to a depth of 25 km or more. In combination with other geophysical data, we suggest that this strongly magnetic zone was produced by deep underplating of magma associated with plate subduction in Mesozoic period. The magnetically quiet zone in the south is an EW trending unit underlain by broad and gentle magnetic layers of lower crust. Its magnetic structure bears a clear resemblance to oceanic crust, assumed to be related to the presence of ancient oceanic crust there.展开更多
The Nanling-Xuancheng ore region of Anhui Province is located in the Middle-Lower Yangtze River metallogenic belt.Insufficient exploration and research have been carried out in this newly defined ore district,although...The Nanling-Xuancheng ore region of Anhui Province is located in the Middle-Lower Yangtze River metallogenic belt.Insufficient exploration and research have been carried out in this newly defined ore district,although the Chating large porphyry Cu-Au deposit and a few middle-sized skarntype Cu polymetallic deposits have been discovered.In this study,we carried out high-resolution seismic reflection,magnetotelluric,gravity,and magnetic investigations,and constructed the 3 D geological structure of the uppermost crust in a depth range of 0-5 km using a comprehensive inversion of the new data constrained by previous deep-drilling data.We hence proposed some new insights to understand the mineralization processes of this district.A system of alternating ridges and valleys is suggested as the major structure pattern,composed of“two-layer structure”of the basins and“three-layer structure”of anticlines.Moreover,a conjugated fault system and its distribution features are revealed in our models,including the Jiangnan fault,Zhouwang fault,and Kunshan thrust nappe.The Jiangnan and Kunshan faults are suggested to have controlled the diagenesis and metallogenesis.Two deep concealed plutons located in Chating and Magushan are found,forming the Mesozoic diorite-felsic intrusions.These intrusions are believed to be the causes of hydrothermal deposits such as the Chating deposit and the Magushan deposit.展开更多
As a pivotal signal pathway,the Ras/Raf/MEK/ERK cascade can be activated by multiple extracellular stimuli and can transmit signals to diverse substrates.It remains to be elucidated how so many different signals can b...As a pivotal signal pathway,the Ras/Raf/MEK/ERK cascade can be activated by multiple extracellular stimuli and can transmit signals to diverse substrates.It remains to be elucidated how so many different signals can be variously transferred by only two MEK molecules(MEK1 and MEK2) .Because of technological limitations the complete structures of the MEKs are still unavailable.Here,we report the full-length structure of MEK2 obtained by homology modeling and molecular dynamics simulations.The simulations show that the N-terminal part of MEK2 is highly flexible and this flexibility may enable MEK2 to interact with ERKs and other ligands in diverse manners that correspond to various upstream signals and downstream consequences.展开更多
The integration of additive manufacturing(AM)in design and engineering has prompted a wide spectrum of research efforts,involving topologically optimized solid/lattice structures,multimaterial structures,bioinspired o...The integration of additive manufacturing(AM)in design and engineering has prompted a wide spectrum of research efforts,involving topologically optimized solid/lattice structures,multimaterial structures,bioinspired organic structures,and multiscale structures,to name a few.However,except for obvious cases,very little attention has been given to the design and printing of more complex three-dimensional(3D)hollow structures or folded/creased structures.One of the main reasons is that such complex open or closed 3D cavities and regular/freeform folds generally lead to printing difficulties from support-structure-related issues.To address this barrier,this paper aims to investigate four-dimensional(4D)printing as well as origami-based design as an original research direction to design and build 3D support-free hollow structures.This work consists of describing the rough 3D hollow structures in terms of two-dimensional(2D)printed origami precursor layouts without any support structure.Such origami-based definitions are then embodied with folding functions that can be actuated and fulfilled by 3D printed smart materials.The desired 3D shape is then built once an external stimulus is applied to the active materials,therefore ensuring the transformation of the 2D origami layout to 3D structures.To demonstrate the relevance of the proposal,some illustrative cases are introduced.展开更多
It has been shown that the progress in the determination of membrane protein structure grows exponentially, with approximately the same growth rate as that of the water-soluble proteins. In order to investigate the ef...It has been shown that the progress in the determination of membrane protein structure grows exponentially, with approximately the same growth rate as that of the water-soluble proteins. In order to investigate the effect of this, on the performance of prediction algorithms for both α-helical and β-barrel membrane proteins, we conducted a prospective study based on historical records. We trained separate hidden Markov models with different sized training sets and evaluated their performance on topology prediction for the two classes of transmembrane proteins. We show that the existing top-scoring algorithms for predicting the transmembrane segments of α-helical membrane proteins perform slightly better than that of β-barrel outer membrane proteins in all measures of accuracy. With the same rationale, a metaoanalysis of the performance of the secondary structure prediction algorithms indicates that existing algorithmic techniques cannot be further improved by just adding more non-homologous sequences to the training sets. The upper limit for secondary structure prediction is estimated to be no more than 70% and 80% of correctly predicted residues for single sequence based methods and multiple sequence based ones, respectively. Therefore, we should concentrate our efforts on utilizing new techniques for the development of even better scoring predictors.展开更多
Graphene nanoplates(GNPs)and carbon nanotubes(CNTs)can construct efficient thermal flux channels in composites,which is becoming one of the effective methods to improve thermal conductivity(TC)of composites.In this pa...Graphene nanoplates(GNPs)and carbon nanotubes(CNTs)can construct efficient thermal flux channels in composites,which is becoming one of the effective methods to improve thermal conductivity(TC)of composites.In this paper,an emerging class of GNPs&MWCNTs preform with 3D orientated structures were prepared by using electrostatic self-assembly and directional freeze-drying methods,and then fabricated the GNPs&MWCNTs reinforced AZ91D magnesium(GNPs&MWCNTs/AZ91D)composites by squeeze casting process.To ensure the well preparation of the composites,the GNPs&MWCNTs preforms need to possess enough compression strength to withstand squeezing pressure.Therefore,the effects of the electrostatic self-assembly process,directional freeze drying process and thermal reduction process on the compression strength of 3D structure GNPs&MWCNTs preforms were studied.The compression strength of GNPs&MWCNTs preforms were well improved to 98 KPa,which were used for the fabrication of AZ91D matrix composites.The TC of 0.5 wt.%(1:1)GNPs&MWCNTs/AZ91D composites reached 71.7 W/(m·K)in the freezing direction,which was 41.8%higher than that(50.6 W/(m·K))of the AZ91D alloy.This work provides a novel method for preparing GNPs&MWCNTs/AZ91D composites with improved TCs.展开更多
The special seismic tectonic environment and frequent seismicity in the southeastern margin of the Qinghai-Tibet Plateau show that this area is an ideal location to study the present tectonic movement and background o...The special seismic tectonic environment and frequent seismicity in the southeastern margin of the Qinghai-Tibet Plateau show that this area is an ideal location to study the present tectonic movement and background of strong earthquakes in China's Mainland and to predict future strong earthquake risk zones. Studies of the structural environment and physical characteristics of the deep structure in this area are helpful to explore deep dynamic effects and deformation field characteristics, to strengthen our understanding of the roles of anisotropy and tectonic deformation and to study the deep tectonic background of the seismic origin of the block＇s interior. In this paper, the three-dimensional （3D） P-wave velocity structure of the crust and upper mantle under the southeastern margin of the Qinghai-Tibet Plateau is obtained via observational data from 224 permanent seismic stations in the regional digital seismic network of Yunnan and Sichuan Provinces and from 356 mobile China seismic arrays in the southern section of the north-south seismic belt using a joint inversion method of the regional earthquake and teleseismic data. The results indicate that the spatial distribution of the P-wave velocity anomalies in the shallow upper crust is closely related to the surface geological structure, terrain and lithology. Baoxing and Kangding, with their basic volcanic rocks and volcanic clastic rocks, present obvious high-velocity anomalies. The Chengdu Basin shows low-velocity anomalies associated with the Quaternary sediments. The Xichang Mesozoic Basin and the Butuo Basin are characterised by low- velocity anomalies related to very thick sedimentary layers. The upper and middle crust beneath the Chuan-Dian and Songpan-Ganzi Blocks has apparent lateral heterogeneities, including low-velocity zones of different sizes. There is a large range of low-velocity layers in the Songpan-Ganzi Block and the sub-block northwest of Sichuan Province, showing that the middle and lower crust is relatively weak. The Sichuan Basin, which is located in the western margin of the Yangtze platform, shows high-velocity characteristics. The results also reveal that there are continuous low-velocity layer distributions in the middle and lower crust of the Daliangshan Block and that the distribution direction of the low-velocity anomaly is nearly SN, which is consistent with the trend of the Daliangshan fault. The existence of the low-velocity layer in the crust also provides a deep source for the deep dynamic deformation and seismic activity of the Daliangshan Block and its boundary faults. The results of the 3D P-wave velocity structure show that an anomalous distribution of high-density, strong-magnetic and high-wave velocity exists inside the crust in the Panxi region. This is likely related to late Paleozoic mantle plume activity that led to a large number of mafic and ultra-mafic intrusions into the crust. In the crustal doming process, the massive intrusion of mantle-derived material enhanced the mechanical strength of the crustal medium. The P-wave velocity structure also revealed that the upper mantle contains a low-velocity layer at a depth of 80-120 km in the Panxi region. The existence of deep faults in the Panxi region, which provide conditions for transporting mantle thermal material into the crust, is the deep tectonic background for the area＇s strong earthquake activity.展开更多
Uncertainty in 3D geological structure models has become a bottleneck that restricts the development and application of 3D geological modeling.In order to solve this problem during periods of accuracy assessment,error...Uncertainty in 3D geological structure models has become a bottleneck that restricts the development and application of 3D geological modeling.In order to solve this problem during periods of accuracy assessment,error detection and dynamic correction in 3D geological structure models,we have reviewed the current situation and development trends in 3D geological modeling.The main context of uncertainty in 3D geological structure models is discussed.Major research issues and a general framework system of uncertainty in 3D geological structure models are proposed.We have described in detail the integration of development practices of 3D geological modeling systems,as well as the implementation process for uncertainty evaluation in 3D geological structure models.This study has laid the basis to build theoretical and methodological systems for accuracy assessment and error correction in 3D geological models and can assist in improving 3D modeling techniques under complex geological conditions.展开更多
A novel synthesis of hierarchical porous carbons （HPCs）with 3D open-cell structure based on nanosilica- embedded emulsion-templated polymerization was reported. An oil-in-water emulsion containing SiO2 colloids was ...A novel synthesis of hierarchical porous carbons （HPCs）with 3D open-cell structure based on nanosilica- embedded emulsion-templated polymerization was reported. An oil-in-water emulsion containing SiO2 colloids was fabricated using liquid paraffin as an oil phase, resorcinol/formaldehyde and silica sol as an aqueous phase, and Span 80/Tween 80 as emulsifiers. HPCs with macropore cores, open meso/ macropore windows, and abundant micropores were synthesized by the polymerization and carbonization of the emulsion, followed by scaffold removal and further KOH activation. A typical HPCs sample as supercapacitor electrode shows the charge/discharge capability under large loading current density （30 A/g） coupling with a reasonable electrochemical capacitance in KOH electrolyte solution.展开更多
Three-dimensional holey nitrogen-doped carbon matrixes decorated with molybdenum dioxide(MoO_(2))nanoparticles have been successfully synthesized via a NaCl-assisted template strategy.The obtained MoO_(2)/C composites...Three-dimensional holey nitrogen-doped carbon matrixes decorated with molybdenum dioxide(MoO_(2))nanoparticles have been successfully synthesized via a NaCl-assisted template strategy.The obtained MoO_(2)/C composites offered multi-advantages,including higher specific surface area,more active sites,more ions/electrons transmission channels,and shorter transmission path due to the synergistic effect of the uniformly distributed MoO_(2) nanoparticles and porous carbon structure.Especially,the oxygen vacancies were introduced into the prepared composites and enhanced the Li^(+)intercalation/deintercalation process during electrochemical cycling by the Coulomb force.The existence of the local built-in electric field was proved by experimental data,differential charge density distribution,and density of states calculation.The uniquely designed structure and introduced oxygen vacancy defects endowed the MoO_(2)/C composites with excellent electrochemical properties.In view of the synergistic effect of the uniquely designed morphology and introduced oxygen vacancy defects,the MoO_(2)/C composites exhibited superior electrochemical performance of a high capacity of 918.2 mAh g^(-1) at 0.1 A g^(-1) after 130 cycles,562.1 mAh g^(-1) at 1.0 A g^(-1) after 1000 cycles,and a capacity of 181.25 mAh g^(-1) even at 20.0 A g^(-1).This strategy highlights the path to promote the commercial application of MoO_(2)-based and other transition metal oxide electrodes for energy storage devices.展开更多
The organic carbon source coating LiFe_(x)Mn_(1-x)PO_(4)suffers from the problem of non-uniform carbon cladding.Too thick carbon cladding layer instead hinders the de-embedding of lithium ions.In this paper,we choose ...The organic carbon source coating LiFe_(x)Mn_(1-x)PO_(4)suffers from the problem of non-uniform carbon cladding.Too thick carbon cladding layer instead hinders the de-embedding of lithium ions.In this paper,we choose cornstalk as the carbon source,then LiFe_(0.5)Mn_(0.5)PO_(4)@cornstalk-C(LFMP@C-C)with 3D anchoring structure is prepared by the solvothermal method.The results show that the LFMP with cornstalk as the carbon source has better performance compared to the sucrose-coated LFMP material(LFMP@C).The discharge capacity of LFMP@C-C is 116 mAh/g for the first cycle at 1 C and the capacity retention rate is 94.0%after 500 cycles,and the discharge capacity of LFMP@C-C is more than 17.17%higher than that of LFMP@C.展开更多
A bionic experimental platform was designed for the purpose of investigating time accurate three-dimensional flow field, using digital particle image velocimetry （DSPIV）. The wake behind the flapping trail of a robo...A bionic experimental platform was designed for the purpose of investigating time accurate three-dimensional flow field, using digital particle image velocimetry （DSPIV）. The wake behind the flapping trail of a robotic fish model was studied at high spatial resolution. The study was performed in a water channel. A robot fish model was designed and built. The model was fixed onto a rigid support frame- work using a cable-supporting method, with twelve stretched wires. The entire tail of the model can perform prescribed motions in two degrees of freedom, mainly in carangiform mode, by driving its afterbody and lunate caudal fin respectively. The DSPIV system was set up to operate in a trans- lational manner, measuring velocity field in a series of parallel slices. Phase locked measurements were repeated for a number of runs, allowing reconstruction of phase average flow field. Vortex structures with phase history of the wake were obtained. The study reveals some new and complex three-dimensional flow structures in the wake of the fish, including ＂reverse hairpin vortex＂ and ＂reverse Karman S-H vortex rings＂, allowing insight into physics of this complex flow.展开更多
3D structure of the crust and upper mantle in the studied area has been analyzed from surface wave tomography. The velocity distribution in the uppermost crust is symmetrical on two sides of the central line of the se...3D structure of the crust and upper mantle in the studied area has been analyzed from surface wave tomography. The velocity distribution in the uppermost crust is symmetrical on two sides of the central line of the sea, and coincides with the structure of crystalline basement. The essential difference in tectonics between the East China Sea and the Yellow Sea mainly lies in that the velocity structures of their lower crust and upper mantle are identical to those of South China and North China respectively. In the upper mantle there exists a high-velocity zone with a nearly EW strike from the Hangzhou Bay, China, to the Tokara Channel, Japan, along about the latitude of 30°N. It is found that between the East China Sea and the Yellow Sea there are systematical differences in geomorphology, geology, seismicity, heat flow, quality factor and gravity and aeromagnetic anomalies, which is related to both left-lateral shear dislocation and right-lateral tear of the Benioff zone from the Hangzhou Bay to the Tokara Channel.It is inferred that the East China Sea was formed by Cenozoic back-arc extension. The boundary between the North China and South China crustal blocks stretches along the southern piedmont of Mts. Daba-Dabie-Hangzhou Bay-Tokara Channel, and the subduction zone at the Okinawa trench is the eastern boundary of the South China crustal block. The movements of the Pacific plate, Indian plate and upper mantle rather than the Philippine plate subduction have played a dominant role for the modern tectonic movements in East Asia.展开更多
This paper describes a case study of 3D protein structure prediction of six sequences from protein data bank （PDB） by genetic algorithm and tabu search （GATS）, where off-lattice AB model is considered as a simplif...This paper describes a case study of 3D protein structure prediction of six sequences from protein data bank （PDB） by genetic algorithm and tabu search （GATS）, where off-lattice AB model is considered as a simplified model of protein structure. The lowest-energy values required for forming the native conformation of proteins are searched by GATS, and then the coarse structures （i.e., simplified structure） of the proteins are obtained according to the multiple angle parameters corresponding to the lowest energies. All the coarse structures form single hydrophobic cores surrounded by hydrophilic residues, which stay on the right side of the actual characteristic of protein structure. It demonstrates that this approach can predict the 3D protein structure effectively.展开更多
A parametric method is developed to quantitatively represent the microstructure of 3D woven structures. Different binding patterns, such as angle interlock and orthogonal interlock with through-thickness or layer-to-l...A parametric method is developed to quantitatively represent the microstructure of 3D woven structures. Different binding patterns, such as angle interlock and orthogonal interlock with through-thickness or layer-to-layer bindings, are classified. A unit cell of 3D woven structure is defined with four constituent yarn systems represented by nine structural parameters. A mapping relationship between the 3D woven structure and corresponding representative parameters is thus established. The study indicates that four out of the nine parameters are necessary to represent a 3D woven structure with an angle interlock binding, and that five parameters are required to describe a 3D woven structure with an orthogonal interlock binding. Once the structural parameters are determined, the pattern of 3D woven structures can be unambiguously identified, and vice versa. In addition to the purpose of structure presentation, the method can be further used as a means for designing 3D woven structure to meet the performance requirements of 3D woven composites.展开更多
基金Supported by the National Natural Science Foundation of China (1027109)
文摘3-dimension HPNX offiattice model is developed from the 2-dimension HP offiattice model. In the HP model, 20 types of amino acid monomers are divided into two classes, H （non-polar monomer） and P （polar monomer）. In the HPNX model, polar monomers are split into positively charged （P）, negatively charged （N） and neutral （X） monomers. A new evolutionary algorithm is applied to study long chains of the HPNX offiattice protein model. This method successfully predict the structures of several proteins in the 3-dimension space that are similar to the structures gotten by X-Ray Crystallography and NMR and published in the PDB（Protein Data Bank）.
基金Project supported by the National Science Foundation of China(Grants Nos.11605125,11105054,11274124,and 11401448)
文摘Ribonucleic acids(RNAs)play a vital role in biology,and knowledge of their three-dimensional(3D)structure is required to understand their biological functions.Recently structural prediction methods have been developed to address this issue,but a series of RNA 3D structures are generally predicted by most existing methods.Therefore,the evaluation of the predicted structures is generally indispensable.Although several methods have been proposed to assess RNA 3D structures,the existing methods are not precise enough.In this work,a new all-atom knowledge-based potential is developed for more accurately evaluating RNA 3D structures.The potential not only includes local and nonlocal interactions but also fully considers the specificity of each RNA by introducing a retraining mechanism.Based on extensive test sets generated from independent methods,the proposed potential correctly distinguished the native state and ranked near-native conformations to effectively select the best.Furthermore,the proposed potential precisely captured RNA structural features such as base-stacking and base-pairing.Comparisons with existing potential methods show that the proposed potential is very reliable and accurate in RNA 3D structure evaluation.
基金supported by the National Natural Science Foundation of China(52376200 and 51976123).
文摘Solar evaporation is a sustainable pathway for diverse water treatment technologies.The contactless evaporation stands out for its superior anti-contamination property.However,the evaporation performance is significantly limited by the non-contact heat transport,which is more pronounced in scalable applications with suppressed vapor escaping and tilted solar irradiation.Here,we propose a high-performance contactless solar evaporation design with three-dimensional(3D)solar-heating and vapor-escaping structure.Our theoretical analysis reveals that mass transport is the true bottleneck of contactless solar evaporation in scalable application,and can be significantly improved by our 3D design.A laboratory solar evaporation rate of 1.03 kg m^(-2)h^(-1)was demonstrated with our 3D design,which was 110%higher than the conventional design.Owing to the enhanced solar harvesting and transport,an average evaporation rate of 1.21 kg m^(-2)h^(-1)was demonstrated in outdoor field test with dilute solar flux of 589.98 W m^(-2).The scalability of 3D design was proved by the minimal difference(3%)in natural seawater evaporation performance between the small and large 3D devices.This work provides a robust,high-performance,and scalable solution for solar evaporation,especially for those scenarios with limited tolerance for contamination.
基金supported by the National Natural Science Foundation of China(No.52401221)Shandong Provincial Natural Science Foundation,China(No.ZR2022QE014)+1 种基金the Basic Scientific Research Fund for Central Universities(No.202112018)the Key Laboratory of Advanced Energy Materials Chemistry(Ministry of Education)。
文摘Lithium(Li)metal is considered the most promising anode material for the next generation of secondary batteries due to its high theoretical specific capacity and low potential.However,the application of Li anode in rechargeable Li metal batteries(LMBs)is hindered due to the short cycle life caused by uncontrolled dendrite growth.In this work,a dendrite-free anode(Li–Sn/Cu)is reinforced synergistically by lithophilic alloy,and a 3D grid structure is designed.Li^(+)diffusion and uniform nucleation are effectively induced by the lithophilic alloy Li_(22)Sn_(5).Moreover,homogeneous deposition of Li^(+)is caused by the reversible gridded Li plating/stripping effect of Cu mesh.Furthermore,the local space electric field is redistributed throughout the 3D conductive network,whereby the tip effect is suppressed,thus inhibiting the growth of Li dendrites.Also,the volume expansion of the anode during cycling is eased by the 3D grid structure.The results show that the Li–Sn/Cu symmetric battery can stably cycle for more than 10,000 h at 2 mA.cm^(-2)and 1 mAh.cm^(-2)with a low overpotential.The capacity retention of the LiFePO_(4)full battery remains above 90.7%after 1,000 cycles at 1C.This work provides a facile,low-cost,and effective strategy for obtaining Li metal batteries with ultra-long cycle life.
基金Projects(50934002,51074013,51304076,51104100)supported by the National Natural Science Foundation of ChinaProject(IRT0950)supported by the Program for Changjiang Scholars Innovative Research Team in Universities,ChinaProject(2012M510007)supported by China Postdoctoral Science Foundation
文摘Methods and procedures of three-dimensional （3D） characterization of the pore structure features in the packed ore particle bed are focused. X-ray computed tomography was applied to deriving the cross-sectional images of specimens with single particle size of 1-2, 2-3, 3-4, 4-5, 5-6, 6-7, 7-8, 8-9, 9-10 ram. Based on the in-house developed 3D image analysis programs using Matlab, the volume porosity, pore size distribution and degree of connectivity were calculated and analyzed in detail. The results indicate that the volume porosity, the mean diameter of pores and the effective pore size （d50） increase with the increasing of particle size. Lognormal distribution or Gauss distribution is mostly suitable to model the pore size distribution. The degree of connectivity investigated on the basis of cluster-labeling algorithm also increases with increasing the particle size approximately.
基金supported by the Chinese Scholarship Foundation,the Gravity and Magnetics Research Consortium(GMRC)the National Natural Science Foundation of China(No.41074095)+1 种基金the National Special Project(No.201011039)the Open Project of the National Key Laboratory for Geological Processes and Mineral Resources(No.GPMR0942)
文摘Understanding the continental margin of the Northeastern South China Sea is critical to the study of deep structures, tectonic evolution, and dynamics of the region. One set of important data for this endeavor is the total-field magnetic data. Given the challenges associated with the magnetic data at low latitudes and with remanent magnetism in this area, we combine the equivalent-source technique and magnetic amplitude inversion to recover 3D subsurface magnetic structures. The inversion results show that this area is characterized by a north-south block division and east-west zonation. Magnetic regions strike in EW, NE and NW direction and are consistent with major tectonic trends in the region. The highly magnetic zone recovered from inversion in the continental margin differs visibly from that of the magnetically quiet zones to the south. The magnetic anomaly zone strikes in NE direction, covering an area of about 500 km × 60 km, and extending downward to a depth of 25 km or more. In combination with other geophysical data, we suggest that this strongly magnetic zone was produced by deep underplating of magma associated with plate subduction in Mesozoic period. The magnetically quiet zone in the south is an EW trending unit underlain by broad and gentle magnetic layers of lower crust. Its magnetic structure bears a clear resemblance to oceanic crust, assumed to be related to the presence of ancient oceanic crust there.
基金supported by the National Key R&D Program Project of China(No.2016YFC0600209)。
文摘The Nanling-Xuancheng ore region of Anhui Province is located in the Middle-Lower Yangtze River metallogenic belt.Insufficient exploration and research have been carried out in this newly defined ore district,although the Chating large porphyry Cu-Au deposit and a few middle-sized skarntype Cu polymetallic deposits have been discovered.In this study,we carried out high-resolution seismic reflection,magnetotelluric,gravity,and magnetic investigations,and constructed the 3 D geological structure of the uppermost crust in a depth range of 0-5 km using a comprehensive inversion of the new data constrained by previous deep-drilling data.We hence proposed some new insights to understand the mineralization processes of this district.A system of alternating ridges and valleys is suggested as the major structure pattern,composed of“two-layer structure”of the basins and“three-layer structure”of anticlines.Moreover,a conjugated fault system and its distribution features are revealed in our models,including the Jiangnan fault,Zhouwang fault,and Kunshan thrust nappe.The Jiangnan and Kunshan faults are suggested to have controlled the diagenesis and metallogenesis.Two deep concealed plutons located in Chating and Magushan are found,forming the Mesozoic diorite-felsic intrusions.These intrusions are believed to be the causes of hydrothermal deposits such as the Chating deposit and the Magushan deposit.
基金supported by the National Natural Science Foundation of China(Grant No.30670791)the National Basic Research Program of China(Grant No.2009CB918301)+1 种基金the National High Technology Research and Development Program of China(Grant No.2008AA02Z124)the State Key Laboratory of Proteomics(Grant No.SKLP-Y200810)
文摘As a pivotal signal pathway,the Ras/Raf/MEK/ERK cascade can be activated by multiple extracellular stimuli and can transmit signals to diverse substrates.It remains to be elucidated how so many different signals can be variously transferred by only two MEK molecules(MEK1 and MEK2) .Because of technological limitations the complete structures of the MEKs are still unavailable.Here,we report the full-length structure of MEK2 obtained by homology modeling and molecular dynamics simulations.The simulations show that the N-terminal part of MEK2 is highly flexible and this flexibility may enable MEK2 to interact with ERKs and other ligands in diverse manners that correspond to various upstream signals and downstream consequences.
基金the Ministère de l’Enseignement Supérieur et de la Recherche, the French ‘Investissements d’Avenir’ program, project ISITE-BFC (contract ANR-15-IDEX-0003)China Scholarship Council as the main financial supports of this research program
文摘The integration of additive manufacturing(AM)in design and engineering has prompted a wide spectrum of research efforts,involving topologically optimized solid/lattice structures,multimaterial structures,bioinspired organic structures,and multiscale structures,to name a few.However,except for obvious cases,very little attention has been given to the design and printing of more complex three-dimensional(3D)hollow structures or folded/creased structures.One of the main reasons is that such complex open or closed 3D cavities and regular/freeform folds generally lead to printing difficulties from support-structure-related issues.To address this barrier,this paper aims to investigate four-dimensional(4D)printing as well as origami-based design as an original research direction to design and build 3D support-free hollow structures.This work consists of describing the rough 3D hollow structures in terms of two-dimensional(2D)printed origami precursor layouts without any support structure.Such origami-based definitions are then embodied with folding functions that can be actuated and fulfilled by 3D printed smart materials.The desired 3D shape is then built once an external stimulus is applied to the active materials,therefore ensuring the transformation of the 2D origami layout to 3D structures.To demonstrate the relevance of the proposal,some illustrative cases are introduced.
基金PGB was supported by a scholarship from the State Scholarships Foundation of Greece (SSF) for postdoctoral research in the Department of Cell Biology and Biophysics of the University of Athens (Machine Learning Algorithms for Bioinformatics)
文摘It has been shown that the progress in the determination of membrane protein structure grows exponentially, with approximately the same growth rate as that of the water-soluble proteins. In order to investigate the effect of this, on the performance of prediction algorithms for both α-helical and β-barrel membrane proteins, we conducted a prospective study based on historical records. We trained separate hidden Markov models with different sized training sets and evaluated their performance on topology prediction for the two classes of transmembrane proteins. We show that the existing top-scoring algorithms for predicting the transmembrane segments of α-helical membrane proteins perform slightly better than that of β-barrel outer membrane proteins in all measures of accuracy. With the same rationale, a metaoanalysis of the performance of the secondary structure prediction algorithms indicates that existing algorithmic techniques cannot be further improved by just adding more non-homologous sequences to the training sets. The upper limit for secondary structure prediction is estimated to be no more than 70% and 80% of correctly predicted residues for single sequence based methods and multiple sequence based ones, respectively. Therefore, we should concentrate our efforts on utilizing new techniques for the development of even better scoring predictors.
基金supported by the National Natural Science Foundation of China(grant numbers 52231004,51972271 and 52205415)Guangdong Basic and Applied Basic Research Foundation(No.2021A1515110034)。
文摘Graphene nanoplates(GNPs)and carbon nanotubes(CNTs)can construct efficient thermal flux channels in composites,which is becoming one of the effective methods to improve thermal conductivity(TC)of composites.In this paper,an emerging class of GNPs&MWCNTs preform with 3D orientated structures were prepared by using electrostatic self-assembly and directional freeze-drying methods,and then fabricated the GNPs&MWCNTs reinforced AZ91D magnesium(GNPs&MWCNTs/AZ91D)composites by squeeze casting process.To ensure the well preparation of the composites,the GNPs&MWCNTs preforms need to possess enough compression strength to withstand squeezing pressure.Therefore,the effects of the electrostatic self-assembly process,directional freeze drying process and thermal reduction process on the compression strength of 3D structure GNPs&MWCNTs preforms were studied.The compression strength of GNPs&MWCNTs preforms were well improved to 98 KPa,which were used for the fabrication of AZ91D matrix composites.The TC of 0.5 wt.%(1:1)GNPs&MWCNTs/AZ91D composites reached 71.7 W/(m·K)in the freezing direction,which was 41.8%higher than that(50.6 W/(m·K))of the AZ91D alloy.This work provides a novel method for preparing GNPs&MWCNTs/AZ91D composites with improved TCs.
基金supported by China earthquake scientific array exploration Southern section of North South seismic belt(201008001)Northern section of North South seismic belt(20130811)+1 种基金National Natural Science Foundation of China(41474057)Science for Earthquake Resllience of China Earthquake Administration(XH15040Y)
文摘The special seismic tectonic environment and frequent seismicity in the southeastern margin of the Qinghai-Tibet Plateau show that this area is an ideal location to study the present tectonic movement and background of strong earthquakes in China's Mainland and to predict future strong earthquake risk zones. Studies of the structural environment and physical characteristics of the deep structure in this area are helpful to explore deep dynamic effects and deformation field characteristics, to strengthen our understanding of the roles of anisotropy and tectonic deformation and to study the deep tectonic background of the seismic origin of the block＇s interior. In this paper, the three-dimensional （3D） P-wave velocity structure of the crust and upper mantle under the southeastern margin of the Qinghai-Tibet Plateau is obtained via observational data from 224 permanent seismic stations in the regional digital seismic network of Yunnan and Sichuan Provinces and from 356 mobile China seismic arrays in the southern section of the north-south seismic belt using a joint inversion method of the regional earthquake and teleseismic data. The results indicate that the spatial distribution of the P-wave velocity anomalies in the shallow upper crust is closely related to the surface geological structure, terrain and lithology. Baoxing and Kangding, with their basic volcanic rocks and volcanic clastic rocks, present obvious high-velocity anomalies. The Chengdu Basin shows low-velocity anomalies associated with the Quaternary sediments. The Xichang Mesozoic Basin and the Butuo Basin are characterised by low- velocity anomalies related to very thick sedimentary layers. The upper and middle crust beneath the Chuan-Dian and Songpan-Ganzi Blocks has apparent lateral heterogeneities, including low-velocity zones of different sizes. There is a large range of low-velocity layers in the Songpan-Ganzi Block and the sub-block northwest of Sichuan Province, showing that the middle and lower crust is relatively weak. The Sichuan Basin, which is located in the western margin of the Yangtze platform, shows high-velocity characteristics. The results also reveal that there are continuous low-velocity layer distributions in the middle and lower crust of the Daliangshan Block and that the distribution direction of the low-velocity anomaly is nearly SN, which is consistent with the trend of the Daliangshan fault. The existence of the low-velocity layer in the crust also provides a deep source for the deep dynamic deformation and seismic activity of the Daliangshan Block and its boundary faults. The results of the 3D P-wave velocity structure show that an anomalous distribution of high-density, strong-magnetic and high-wave velocity exists inside the crust in the Panxi region. This is likely related to late Paleozoic mantle plume activity that led to a large number of mafic and ultra-mafic intrusions into the crust. In the crustal doming process, the massive intrusion of mantle-derived material enhanced the mechanical strength of the crustal medium. The P-wave velocity structure also revealed that the upper mantle contains a low-velocity layer at a depth of 80-120 km in the Panxi region. The existence of deep faults in the Panxi region, which provide conditions for transporting mantle thermal material into the crust, is the deep tectonic background for the area＇s strong earthquake activity.
基金provided by the Talent Training Project of the National Natural Science Foundation of China (No.J0730534)the National Natural Science Foundation of China (No.40902093)+1 种基金the Morning Light Plan of the Shanghai Educational Development Foundation (No.2007CG34)the Open Foundation of the Shanghai Key Laboratory of Urbanization and Ecological Restoration (No.200803)
文摘Uncertainty in 3D geological structure models has become a bottleneck that restricts the development and application of 3D geological modeling.In order to solve this problem during periods of accuracy assessment,error detection and dynamic correction in 3D geological structure models,we have reviewed the current situation and development trends in 3D geological modeling.The main context of uncertainty in 3D geological structure models is discussed.Major research issues and a general framework system of uncertainty in 3D geological structure models are proposed.We have described in detail the integration of development practices of 3D geological modeling systems,as well as the implementation process for uncertainty evaluation in 3D geological structure models.This study has laid the basis to build theoretical and methodological systems for accuracy assessment and error correction in 3D geological models and can assist in improving 3D modeling techniques under complex geological conditions.
基金supported by the National Natural Science Foundation of China(Nos.21207099 and 21273162)Science and Technology Commission of Shanghai Municipality,China(Nos. 11nm0501000 and 12ZR1451100)Key Subject of Shanghai Municipal Education Commission(No.J50102)
文摘A novel synthesis of hierarchical porous carbons （HPCs）with 3D open-cell structure based on nanosilica- embedded emulsion-templated polymerization was reported. An oil-in-water emulsion containing SiO2 colloids was fabricated using liquid paraffin as an oil phase, resorcinol/formaldehyde and silica sol as an aqueous phase, and Span 80/Tween 80 as emulsifiers. HPCs with macropore cores, open meso/ macropore windows, and abundant micropores were synthesized by the polymerization and carbonization of the emulsion, followed by scaffold removal and further KOH activation. A typical HPCs sample as supercapacitor electrode shows the charge/discharge capability under large loading current density （30 A/g） coupling with a reasonable electrochemical capacitance in KOH electrolyte solution.
基金financially supported by the National Natural Science Foundation of China(No.52207249)the research program of Top Talent Project of Yantai University(No.1115/2220001)+1 种基金the Yantai Basic Research Project(No.2022JCYJ04)the Science Fund of Shandong Laboratory of Advanced Materials and Green Manufacturing(No.AMGM2021F11).
文摘Three-dimensional holey nitrogen-doped carbon matrixes decorated with molybdenum dioxide(MoO_(2))nanoparticles have been successfully synthesized via a NaCl-assisted template strategy.The obtained MoO_(2)/C composites offered multi-advantages,including higher specific surface area,more active sites,more ions/electrons transmission channels,and shorter transmission path due to the synergistic effect of the uniformly distributed MoO_(2) nanoparticles and porous carbon structure.Especially,the oxygen vacancies were introduced into the prepared composites and enhanced the Li^(+)intercalation/deintercalation process during electrochemical cycling by the Coulomb force.The existence of the local built-in electric field was proved by experimental data,differential charge density distribution,and density of states calculation.The uniquely designed structure and introduced oxygen vacancy defects endowed the MoO_(2)/C composites with excellent electrochemical properties.In view of the synergistic effect of the uniquely designed morphology and introduced oxygen vacancy defects,the MoO_(2)/C composites exhibited superior electrochemical performance of a high capacity of 918.2 mAh g^(-1) at 0.1 A g^(-1) after 130 cycles,562.1 mAh g^(-1) at 1.0 A g^(-1) after 1000 cycles,and a capacity of 181.25 mAh g^(-1) even at 20.0 A g^(-1).This strategy highlights the path to promote the commercial application of MoO_(2)-based and other transition metal oxide electrodes for energy storage devices.
基金supported by CITIC Dameng Mining Industries Limited-Guangxi University Joint Research Institute of manganese resources utilization and advanced materials technology,Guangxi University-CITIC Dameng Mining Industries Limited Joint base of postgraduate cultivation,National Natural Science Foundation of China(No.11364003)Guangxi Innovation Driven Development Project(Nos.AA17204100,AA18118052)the Natural Science Foundation of Guangxi Province(No.2018GXNSFAA138186)。
文摘The organic carbon source coating LiFe_(x)Mn_(1-x)PO_(4)suffers from the problem of non-uniform carbon cladding.Too thick carbon cladding layer instead hinders the de-embedding of lithium ions.In this paper,we choose cornstalk as the carbon source,then LiFe_(0.5)Mn_(0.5)PO_(4)@cornstalk-C(LFMP@C-C)with 3D anchoring structure is prepared by the solvothermal method.The results show that the LFMP with cornstalk as the carbon source has better performance compared to the sucrose-coated LFMP material(LFMP@C).The discharge capacity of LFMP@C-C is 116 mAh/g for the first cycle at 1 C and the capacity retention rate is 94.0%after 500 cycles,and the discharge capacity of LFMP@C-C is more than 17.17%higher than that of LFMP@C.
基金supported by the National Natural Science Foundation of China (10772017 and 10472011)BUAA-985 Foundation
文摘A bionic experimental platform was designed for the purpose of investigating time accurate three-dimensional flow field, using digital particle image velocimetry （DSPIV）. The wake behind the flapping trail of a robotic fish model was studied at high spatial resolution. The study was performed in a water channel. A robot fish model was designed and built. The model was fixed onto a rigid support frame- work using a cable-supporting method, with twelve stretched wires. The entire tail of the model can perform prescribed motions in two degrees of freedom, mainly in carangiform mode, by driving its afterbody and lunate caudal fin respectively. The DSPIV system was set up to operate in a trans- lational manner, measuring velocity field in a series of parallel slices. Phase locked measurements were repeated for a number of runs, allowing reconstruction of phase average flow field. Vortex structures with phase history of the wake were obtained. The study reveals some new and complex three-dimensional flow structures in the wake of the fish, including ＂reverse hairpin vortex＂ and ＂reverse Karman S-H vortex rings＂, allowing insight into physics of this complex flow.
基金The study (Project No. 85078) was supported by the Joint Foundation of Seismic Science.
文摘3D structure of the crust and upper mantle in the studied area has been analyzed from surface wave tomography. The velocity distribution in the uppermost crust is symmetrical on two sides of the central line of the sea, and coincides with the structure of crystalline basement. The essential difference in tectonics between the East China Sea and the Yellow Sea mainly lies in that the velocity structures of their lower crust and upper mantle are identical to those of South China and North China respectively. In the upper mantle there exists a high-velocity zone with a nearly EW strike from the Hangzhou Bay, China, to the Tokara Channel, Japan, along about the latitude of 30°N. It is found that between the East China Sea and the Yellow Sea there are systematical differences in geomorphology, geology, seismicity, heat flow, quality factor and gravity and aeromagnetic anomalies, which is related to both left-lateral shear dislocation and right-lateral tear of the Benioff zone from the Hangzhou Bay to the Tokara Channel.It is inferred that the East China Sea was formed by Cenozoic back-arc extension. The boundary between the North China and South China crustal blocks stretches along the southern piedmont of Mts. Daba-Dabie-Hangzhou Bay-Tokara Channel, and the subduction zone at the Okinawa trench is the eastern boundary of the South China crustal block. The movements of the Pacific plate, Indian plate and upper mantle rather than the Philippine plate subduction have played a dominant role for the modern tectonic movements in East Asia.
基金Supported by the National Natural Science Foundation of China (60975031)the Scientific Research Foundation for the Returned Overseas Chinese Scholars of Ministry of Education of China, the Open Foundation of State Key Laboratory of Bioelectronics of Southeast University, China, and the Natural Science Foundation of Hubei Province, China (2008CDB344 and 2009CDA034)
文摘This paper describes a case study of 3D protein structure prediction of six sequences from protein data bank （PDB） by genetic algorithm and tabu search （GATS）, where off-lattice AB model is considered as a simplified model of protein structure. The lowest-energy values required for forming the native conformation of proteins are searched by GATS, and then the coarse structures （i.e., simplified structure） of the proteins are obtained according to the multiple angle parameters corresponding to the lowest energies. All the coarse structures form single hydrophobic cores surrounded by hydrophilic residues, which stay on the right side of the actual characteristic of protein structure. It demonstrates that this approach can predict the 3D protein structure effectively.
基金the Research Fund for the Doctoral Program of Higher Education and the Shanghai Key Discipline Project
文摘A parametric method is developed to quantitatively represent the microstructure of 3D woven structures. Different binding patterns, such as angle interlock and orthogonal interlock with through-thickness or layer-to-layer bindings, are classified. A unit cell of 3D woven structure is defined with four constituent yarn systems represented by nine structural parameters. A mapping relationship between the 3D woven structure and corresponding representative parameters is thus established. The study indicates that four out of the nine parameters are necessary to represent a 3D woven structure with an angle interlock binding, and that five parameters are required to describe a 3D woven structure with an orthogonal interlock binding. Once the structural parameters are determined, the pattern of 3D woven structures can be unambiguously identified, and vice versa. In addition to the purpose of structure presentation, the method can be further used as a means for designing 3D woven structure to meet the performance requirements of 3D woven composites.
