Objective To develop a non-invasive predictive model for coronary artery stenosis severity based on adaptive multi-modal integration of traditional Chinese and western medicine data.Methods Clinical indicators,echocar...Objective To develop a non-invasive predictive model for coronary artery stenosis severity based on adaptive multi-modal integration of traditional Chinese and western medicine data.Methods Clinical indicators,echocardiographic data,traditional Chinese medicine(TCM)tongue manifestations,and facial features were collected from patients who underwent coro-nary computed tomography angiography(CTA)in the Cardiac Care Unit(CCU)of Shanghai Tenth People's Hospital between May 1,2023 and May 1,2024.An adaptive weighted multi-modal data fusion(AWMDF)model based on deep learning was constructed to predict the severity of coronary artery stenosis.The model was evaluated using metrics including accura-cy,precision,recall,F1 score,and the area under the receiver operating characteristic(ROC)curve(AUC).Further performance assessment was conducted through comparisons with six ensemble machine learning methods,data ablation,model component ablation,and various decision-level fusion strategies.Results A total of 158 patients were included in the study.The AWMDF model achieved ex-cellent predictive performance(AUC=0.973,accuracy=0.937,precision=0.937,recall=0.929,and F1 score=0.933).Compared with model ablation,data ablation experiments,and various traditional machine learning models,the AWMDF model demonstrated superior per-formance.Moreover,the adaptive weighting strategy outperformed alternative approaches,including simple weighting,averaging,voting,and fixed-weight schemes.Conclusion The AWMDF model demonstrates potential clinical value in the non-invasive prediction of coronary artery disease and could serve as a tool for clinical decision support.展开更多
With the boom in maritime activities,the need for highly reliable maritime communication is becoming urgent,which is an important component of 5G/6G communication networks.However,the bandwidth reuse characteristic of...With the boom in maritime activities,the need for highly reliable maritime communication is becoming urgent,which is an important component of 5G/6G communication networks.However,the bandwidth reuse characteristic of 5G/6G networks will inevitably lead to severe interference,resulting in degradation in the communication performance of maritime users.In this paper,we propose a safe deep reinforcement learning based interference coordination scheme to jointly optimize the power control and bandwidth allocation in maritime communication systems,and exploit the quality-of-service requirements of users as the risk value references to evaluate the communication policies.In particular,this scheme designs a deep neural network to select the communication policies through the evaluation network and update the parameters using the target network,which improves the communication performance and speeds up the convergence rate.Moreover,the Nash equilibrium of the interference coordination game and the computational complexity of the proposed scheme are analyzed.Simulation and experimental results verify the performance gain of the proposed scheme compared with benchmarks.展开更多
Studying the coupling coordination development of new energy vehicles(NEVs)and the ecological environment in China is helpful in promoting the development of NEVs in the country and is of great significance in promoti...Studying the coupling coordination development of new energy vehicles(NEVs)and the ecological environment in China is helpful in promoting the development of NEVs in the country and is of great significance in promoting high-quality development of new energy in China.This paper constructs an evaluation index system for the development of NEVs and the ecological environment.It uses game theory combining weighting model,particle swarm optimized projection tracking evaluation model,coupling coordination degree model,and machine learning algorithms to calculate and analyze the level of coupling coordination development of NEVs and the ecological environment in China from 2010 to 2021,and identifies the driving factors.The research results show that:(i)From 2010 to 2021,the development index of NEVs in China has steadily increased from 0.085 to 0.634,while the ecological environment level index significantly rose from 0.170 to 0.884,reflecting the continuous development of China in both NEVs and the ecological environment.(ii)From 2010 to 2012,the two systems—new energy vehicle(NEV)development and the ecological environment—were in a period of imbalance and decline.From 2013 to 2016,they underwent a transition period,and from 2017 to 2021,they entered a period of coordinated development showing a trend of benign and continuous improvement.By 2021,they reached a good level of coordination.(iii)Indicators such as the number of patents granted for NEVs,water consumption per unit of GDP,and energy consumption per unit of GDP are the main driving factors affecting the coupling coordination development of NEVs and the ecological environment in China.展开更多
One Yb(Ⅲ)-based coordination polymer,{[Yb(H_(2)dhtp)1.5(H_(2)O)_(4)]·3H_(2)O}n(1)(H_(4)dhtp=2,5-dihydroxytere-phthalic acid),was fabricated and structurally characterized by single-crystal X-ray diffraction,IR,p...One Yb(Ⅲ)-based coordination polymer,{[Yb(H_(2)dhtp)1.5(H_(2)O)_(4)]·3H_(2)O}n(1)(H_(4)dhtp=2,5-dihydroxytere-phthalic acid),was fabricated and structurally characterized by single-crystal X-ray diffraction,IR,powder X-ray diffraction,X-ray diffraction,and elemental analysis.Complex 1 displays a 1D chain structure,and belongs to P1 group.The solid-state luminescent spectrum of 1 showed an emission band with the maximum at 508 nm(λex=408 nm).It exhibited the emission characteristic of the H_(4)dhtp ligand.The fluorescence of 1 in water displayed the stron-gest intensity.In detecting various metal ions,adding Zr^(4+)led to a blue shift in fluorescence,accompanied by an increase in intensity,whereas the presence of Fe^(3+)resulted in a decrease in luminescence.The changes observed in the IR spectrum indicate an interaction between Fe^(3+)/Zr^(4+)and complex 1,resulting in the variation of luminescence properties.展开更多
Under the condition of solvothermal synthesis,the viologen ligand 1,1′-bis(3-carboxyphenyl)-(4,4′-bipyri-dine)dichloride(H_(2)bcbpy·2Cl)and KI are coordinated with the metal cadmium ions.A case of thermochromic...Under the condition of solvothermal synthesis,the viologen ligand 1,1′-bis(3-carboxyphenyl)-(4,4′-bipyri-dine)dichloride(H_(2)bcbpy·2Cl)and KI are coordinated with the metal cadmium ions.A case of thermochromic coor-dination polymer[Cd(bcbpy)I_(2)]·2H_(2)O(1)was constructed.Complex 1 displays a 1D chain structure and exhibits thermochromic behavior.Under different temperature stimulation,the complex(ground)slowly changed from green to yellow-green,and with the increase of temperature,the color of complex 1 gradually deepened,and finally became orange-yellow.Therefore,complex 1 was prepared as a thermochromic film.In addition,we also performed electrochemical tests on complex 1,which showed that the complex is a semiconductor material.CCDC:2391802.展开更多
We report five coordination polymers(CPs)based on fluorescent ligands[1,6-di(1H-imidazol-1-yl)pyrene(dip),9,10-di(1H-imidazol-1-yl)anthracene(dia)]and anionic ligands[cyclohexane-1,4-dicarboxylic acid(H_(2)cda),campho...We report five coordination polymers(CPs)based on fluorescent ligands[1,6-di(1H-imidazol-1-yl)pyrene(dip),9,10-di(1H-imidazol-1-yl)anthracene(dia)]and anionic ligands[cyclohexane-1,4-dicarboxylic acid(H_(2)cda),camphoric acid(H_(2)cpa)].In[Cd(dip)(cda)]·4H_(2)O}_(n)(1),the Cd^(2+)ions,acting as tetrahedral nodes,are linked by dipand cda^(2-)ligands with four Cd^(2+)ions into five-fold interpenetrating network array of topology of dia.In{[Cd(dip)(cpa)]·4H_(2)O}_(n)(2),the Cd^(2+)ions,acting as a 4-connector,are linked by cpa^(2-)and dip ligands into a 3D framework ofcds topology.In{[Ni(dia)_(2)Cl_(2)]·DMF}_(n)(3),the Ni^(2+)ion is linked by four dia ligands into a layer structure,and 1Dchannels of a cross-section of 1.35 nm×0.96 nm are formed.In{[Cd(dia)_(2)(H_(2)O)_(2)](NO_(3))_(2)·2DMSO}n(4),the dia ligandsconnected Cd^(2+)ions into a 2D layer,and 1D channels are formed between adjacent layers with a cross-section of0.87 nm×0.43 nm.In[Zn(dip)Cl_(2)]_(n)(5),the Zn^(2+)ion is linked by dip ligands into an infinite 1D chain.The infrared,thermal gravimetric,and fluorescent emission data were collected and analyzed for these coordination polymers.CCDC:2356055,1;2440075,2;2356057,3;2356057,4;2356059,5.展开更多
Six coordination polymers based on 9,10-di(pyridine-4-yl)-anthracene(DPA)and 1,6-di(1H-imidazol-1-yl)pyrene(DIP)were obtained by solvothermal reactions.{[Zn(DPA)Cl_(2)]·DMF·2H_(2)O}n(1)and{[Zn_(1.5)(DPA)_(1....Six coordination polymers based on 9,10-di(pyridine-4-yl)-anthracene(DPA)and 1,6-di(1H-imidazol-1-yl)pyrene(DIP)were obtained by solvothermal reactions.{[Zn(DPA)Cl_(2)]·DMF·2H_(2)O}n(1)and{[Zn_(1.5)(DPA)_(1.5)Cl_(3)]·5H_(2)O}n(2)are framework isomers,which both contain zigzag chains formed by DPA,Zn^(2+),and Cl-.The zigzag chains in 1 are further assembled by C—H…Cl interactions into layers,and these layers exhibit two different orientations,displaying a rare 2D to 3D interpenetration mode.The zigzag chains in 2 are parallelly arranged.{[Zn_(3)(DPA)_(3)Br_(6)]·2DMF·_(1.5)H_(2)O}n(3)is isostructural to 2.3 was obtained using ZnBr_(2)instead of ZnCl_(2).[M(DPA)(formate)_(2)(H_(2)O)_(2)]n[M=Co(4),Cu(5)]are isostructural,contain chain structures formed by DPA,Cu^(2+)/Co^(2+),and for-mate ions,which were formed in situ in the solvothermal reaction.{[Zn(DIP)_(2)Cl]ClO_(4)}n(6)contains a layer structure formed by DIP and Zn^(2+).Free DPA and DIP ligands exhibited high fluorescence at room temperature,and coordina-tion polymers 3 and 6 displayed enhanced fluorescent emissions.展开更多
Two new Mn(Ⅱ)coordination polymers,namely{[Mn_(2)(HL)(phen)_(3)(H_(2)O)_(2)]·7.5H_(2)O}_n(1)and[Mn_(4)(HL)_(2)(1,4-bib)_(3)(H_(2)O)_(2)]_n(2),were synthesized under hydrothermal conditions by using Mn(Ⅱ)ions an...Two new Mn(Ⅱ)coordination polymers,namely{[Mn_(2)(HL)(phen)_(3)(H_(2)O)_(2)]·7.5H_(2)O}_n(1)and[Mn_(4)(HL)_(2)(1,4-bib)_(3)(H_(2)O)_(2)]_n(2),were synthesized under hydrothermal conditions by using Mn(Ⅱ)ions and 6-(3',4'-dicarboxylphenoxy)-1,2,4-benzenetricarboxylic acid(H_(5)L)in the presence of N-auxiliary ligands 1,10-phenanthroline(phen)and1,4-bis(1H-imidazol-1-yl)benzene(1,4-bib).The structures of coordination polymers 1 and 2 were characterized by infrared spectroscopy,single-crystal X-ray diffraction,thermogravimetric analysis,and powder X-ray diffraction.Single-crystal X-ray diffraction reveals that 1 has a 1D chain structure based on binuclear Mn(Ⅱ)units,while 2 features a(3,8)-connected 3D network structure based on tetranuclear Mn(Ⅱ)units.Magnetic studies show that 1 and 2exhibit antiferromagnetic interactions between manganese ions.2 shows stronger antiferromagnetic interactions due to the shorter Mn…Mn distances within the tetranuclear manganese units.CCDC:2357601,1;2357602,2.展开更多
A novel coordination polymer(CP){[Cd_(2)(L)(1,4-bimb)_(1.5)(DMF)_(2)]·DMF}n(1)(H_(4)L=5,5'-[1,1'-biphenyl-4,4'-diylbis(oxy)]diisophthalic acid,1,4-bimb=1,4-bis(imidazole-1-ylmethyl)-benzene)has been d...A novel coordination polymer(CP){[Cd_(2)(L)(1,4-bimb)_(1.5)(DMF)_(2)]·DMF}n(1)(H_(4)L=5,5'-[1,1'-biphenyl-4,4'-diylbis(oxy)]diisophthalic acid,1,4-bimb=1,4-bis(imidazole-1-ylmethyl)-benzene)has been designed and synthesized through solvothermal reaction.Structural analysis shows that Cd(Ⅱ)is connected by H4L and 1,4-bimb to form a 2D network,and 1,4-bimb further expands the 2D network into a 3D framework.CP 1 can be used as an excellent fluorescence sensor for Fe^(3+)and 4-nitrophenol(4-NP),with low detection limits and good anti-interference.The detection limits of Fe^(3+)and 4-NP were 0.034 and 0.031μmol·L^(-1),respectively.In addition,the fluorescence quenching mechanism was studied.1 was successfully applied to determine Fe^(3+)and 4-NP content in the Yanhe River water sample.CCDC:2351092.展开更多
High-entropy alloy(HEA)nanoparticles(NPs)have attracted great attention in electrocatalysis due to their tailorable complex compositions and unique properties.Herein,we introduce Fe,Co,Ni,Cr and Mn into the metal-poly...High-entropy alloy(HEA)nanoparticles(NPs)have attracted great attention in electrocatalysis due to their tailorable complex compositions and unique properties.Herein,we introduce Fe,Co,Ni,Cr and Mn into the metal-polyphenol coordination system to prepare HEA NPs enclosed in N-doped carbon(FeCoNiCrMn)with great potential for catalyzing oxygen reduction reaction(ORR)and oxygen evolution reaction(OER).The unique high-entropy structural characteristics in FeCoNiCrMn facilitate effective interplay between metal species,leading to improved ORR(E_(1/2)=0.89 V)and OER(η=330 mV,j=10 mA·cm^(−2))activity.Additionally,FeCoNiCrMn exhibits excellent open-circuit voltage(1.523 V),power density(110 mW·cm^(−2))and long-term durability,outperforming Pt/C+IrO_(2) electrodes as a cathode catalyst in Zn-air batteries(ZABs).Such polyphenol-assisted alloying method broadens and simplifies the development of HEA electrocatalysts for high-performance ZABs.展开更多
A low-cost 1D cobalt-based coordination polymer(CP)[Co(BGPD)(DMSO)_(2)(H_(2)O)_(2)](Co-BD;H2BGPD=N,N'-bis(glycinyl)pyromellitic diimide;DMSO=dimethyl sulfoxide)was synthesized by a simple method,and its crystal st...A low-cost 1D cobalt-based coordination polymer(CP)[Co(BGPD)(DMSO)_(2)(H_(2)O)_(2)](Co-BD;H2BGPD=N,N'-bis(glycinyl)pyromellitic diimide;DMSO=dimethyl sulfoxide)was synthesized by a simple method,and its crystal structure was characterized.In a three-electrode system,Co-BD,as the electrode material for supercapacitors,achieved a specific capacitance of 830 F·g^(-1)at 1 A·g^(-1),equivalent to a specific capacity of 116.4 mAh·g^(-1),and exhibited high-rate capability,reaching 212 F·g^(-1)at 20 A·g^(-1).Impressively,Co-BD||rGO(reduced graphene oxide),representing an asymmetrical supercapacitor,owns a higher energy density of 14.2 Wh·kg^(-1)at 0.80 kW·kg^(-1),and an excellent cycle performance(After 4000 cycles at 1 A·g^(-1),the capacitance retention was up to 94%).CCDC:2418872.展开更多
Reaction of the non-substituted/substituted unsymmetric pinene-derived complex[Pt(N^C^N')Cl]with the aryl isocyanide 2,6-dimethylphenyl isocyanide(CNXyl)afforded a mixture of two isomeric species:the ionic complex...Reaction of the non-substituted/substituted unsymmetric pinene-derived complex[Pt(N^C^N')Cl]with the aryl isocyanide 2,6-dimethylphenyl isocyanide(CNXyl)afforded a mixture of two isomeric species:the ionic complex[Pt(κ^(3)-N^C^N')(CNXyl)]Cl([A]Cl)and the molecular complex[Pt(κ^(2)-N^C^N')(CNXyl)Cl](B).Isomer B was almost the dominating product.The structures of the isomer B derivatives bearing-CF_(3)and-Cl substituents on the pyridine ring of the pinene moiety(5B and 7B,respectively)have been confirmed by single-crystal X-ray diffraction,revealing a slightly distorted square planar geometry with trans-N_(N^C^N'),CNR configuration(The terminal N atom of theκ^(2)-N^C^N'ligand is trans to the isocyanide ligand CNXyl.).Isomer B is thermodynamically more stable,as confirmed by theoretical calculations.CCDC:2416415,5B;2416414,7B.展开更多
Multi-modal Named Entity Recognition(MNER)aims to better identify meaningful textual entities by integrating information from images.Previous work has focused on extracting visual semantics at a fine-grained level,or ...Multi-modal Named Entity Recognition(MNER)aims to better identify meaningful textual entities by integrating information from images.Previous work has focused on extracting visual semantics at a fine-grained level,or obtaining entity related external knowledge from knowledge bases or Large Language Models(LLMs).However,these approaches ignore the poor semantic correlation between visual and textual modalities in MNER datasets and do not explore different multi-modal fusion approaches.In this paper,we present MMAVK,a multi-modal named entity recognition model with auxiliary visual knowledge and word-level fusion,which aims to leverage the Multi-modal Large Language Model(MLLM)as an implicit knowledge base.It also extracts vision-based auxiliary knowledge from the image formore accurate and effective recognition.Specifically,we propose vision-based auxiliary knowledge generation,which guides the MLLM to extract external knowledge exclusively derived from images to aid entity recognition by designing target-specific prompts,thus avoiding redundant recognition and cognitive confusion caused by the simultaneous processing of image-text pairs.Furthermore,we employ a word-level multi-modal fusion mechanism to fuse the extracted external knowledge with each word-embedding embedded from the transformerbased encoder.Extensive experimental results demonstrate that MMAVK outperforms or equals the state-of-the-art methods on the two classical MNER datasets,even when the largemodels employed have significantly fewer parameters than other baselines.展开更多
Multi-modal knowledge graph completion(MMKGC)aims to complete missing entities or relations in multi-modal knowledge graphs,thereby discovering more previously unknown triples.Due to the continuous growth of data and ...Multi-modal knowledge graph completion(MMKGC)aims to complete missing entities or relations in multi-modal knowledge graphs,thereby discovering more previously unknown triples.Due to the continuous growth of data and knowledge and the limitations of data sources,the visual knowledge within the knowledge graphs is generally of low quality,and some entities suffer from the issue of missing visual modality.Nevertheless,previous studies of MMKGC have primarily focused on how to facilitate modality interaction and fusion while neglecting the problems of low modality quality and modality missing.In this case,mainstream MMKGC models only use pre-trained visual encoders to extract features and transfer the semantic information to the joint embeddings through modal fusion,which inevitably suffers from problems such as error propagation and increased uncertainty.To address these problems,we propose a Multi-modal knowledge graph Completion model based on Super-resolution and Detailed Description Generation(MMCSD).Specifically,we leverage a pre-trained residual network to enhance the resolution and improve the quality of the visual modality.Moreover,we design multi-level visual semantic extraction and entity description generation,thereby further extracting entity semantics from structural triples and visual images.Meanwhile,we train a variational multi-modal auto-encoder and utilize a pre-trained multi-modal language model to complement the missing visual features.We conducted experiments on FB15K-237 and DB13K,and the results showed that MMCSD can effectively perform MMKGC and achieve state-of-the-art performance.展开更多
Two new transition-metal coordination polymers,{[Cd(oba)(L)_(2)]·H_(2)O}_n(1)and[Cd(4-nph)(L)_(2)]_n(2)(H_(2)oba=4,4'-oxydibenzoic acid,4-H_(2)nph=4-nitrophthalic acid,L=2,2'-biimidazole),were successfull...Two new transition-metal coordination polymers,{[Cd(oba)(L)_(2)]·H_(2)O}_n(1)and[Cd(4-nph)(L)_(2)]_n(2)(H_(2)oba=4,4'-oxydibenzoic acid,4-H_(2)nph=4-nitrophthalic acid,L=2,2'-biimidazole),were successfully synthesized under hydrothermal conditions and characterized structurally by IR spectroscopy,elemental analyses,single-crystal X-ray diffraction,powder X-ray diffraction,and thermogravimetric analysis.The results of single-crystal X-ray diffraction show that complex 1 presents a 1D zigzag chain structure and further extends to a 2D network through N—H…O hydrogen bonds andπ-πstacking interactions.Meanwhile,complex 2 has a zero-dimensional structure and also extends to form a 2D network through N—H…O hydrogen bonds andπ-πstacking interactions.In addition,both 1and 2 exhibited luminescent properties in the solid state.Furthermore,quantum chemical calculations were carried out on the"molecular fragments"extracted from the crystal structures of 1 and 2 using the PBE0/LANL2DZ method constructed by the Gaussian 16 program.The calculated values signify a significant covalent interaction between the coordination atoms and the Cd(Ⅱ)ions.CCDC:2332173,1;2332176,2.展开更多
Integrating multiple medical imaging techniques,including Magnetic Resonance Imaging(MRI),Computed Tomography,Positron Emission Tomography(PET),and ultrasound,provides a comprehensive view of the patient health status...Integrating multiple medical imaging techniques,including Magnetic Resonance Imaging(MRI),Computed Tomography,Positron Emission Tomography(PET),and ultrasound,provides a comprehensive view of the patient health status.Each of these methods contributes unique diagnostic insights,enhancing the overall assessment of patient condition.Nevertheless,the amalgamation of data from multiple modalities presents difficulties due to disparities in resolution,data collection methods,and noise levels.While traditional models like Convolutional Neural Networks(CNNs)excel in single-modality tasks,they struggle to handle multi-modal complexities,lacking the capacity to model global relationships.This research presents a novel approach for examining multi-modal medical imagery using a transformer-based system.The framework employs self-attention and cross-attention mechanisms to synchronize and integrate features across various modalities.Additionally,it shows resilience to variations in noise and image quality,making it adaptable for real-time clinical use.To address the computational hurdles linked to transformer models,particularly in real-time clinical applications in resource-constrained environments,several optimization techniques have been integrated to boost scalability and efficiency.Initially,a streamlined transformer architecture was adopted to minimize the computational load while maintaining model effectiveness.Methods such as model pruning,quantization,and knowledge distillation have been applied to reduce the parameter count and enhance the inference speed.Furthermore,efficient attention mechanisms such as linear or sparse attention were employed to alleviate the substantial memory and processing requirements of traditional self-attention operations.For further deployment optimization,researchers have implemented hardware-aware acceleration strategies,including the use of TensorRT and ONNX-based model compression,to ensure efficient execution on edge devices.These optimizations allow the approach to function effectively in real-time clinical settings,ensuring viability even in environments with limited resources.Future research directions include integrating non-imaging data to facilitate personalized treatment and enhancing computational efficiency for implementation in resource-limited environments.This study highlights the transformative potential of transformer models in multi-modal medical imaging,offering improvements in diagnostic accuracy and patient care outcomes.展开更多
A coordination polymer{[Cd(H_(2)dpa)(bpy)]·3H_(2)O}_(n)(Cd-CP)was designed and hydrothermal synthesized based on 4-(2,4-dicarboxyphenoxy)phthalic acid(H_(4)dpa),2,2'-bipyridine(bpy)and Cd(NO_(3))_(2)·4H_...A coordination polymer{[Cd(H_(2)dpa)(bpy)]·3H_(2)O}_(n)(Cd-CP)was designed and hydrothermal synthesized based on 4-(2,4-dicarboxyphenoxy)phthalic acid(H_(4)dpa),2,2'-bipyridine(bpy)and Cd(NO_(3))_(2)·4H_(2)O.The structure was characterized by single-crystal X-ray diffraction,powder X-ray diffraction,elemental analysis,and infrared spectroscopy.Cd-CP belongs to the monoclinic crystal system with the P2_1/c space group and performs in a 1D double-chain structure.The adjacent double chains further form a 3D supramolecular network structure through hydrogen bonding.Thermogravimetric analysis shows that Cd-CP has good thermal stability.Fluorescence analysis showed that Cd-CP had good choosing selectively and was sensitive to metal ions(Fe^(3+)and Zn^(2+)),2,4,6-trinitrophenylhydrazine(TRI),and pyrimethanil(Pth).Interestingly,when Cd-CP was used for fluorescence detection of metal ions,it was found to have a fluorescence quenching effect on Fe^(3+)but had an obvious enhancement effect on Zn^(2+).Therefore,we designed an“on-off-on”logic gate.In addition,the mechanism of fluorescence sensing has been deeply explored.CCDC:2258625.展开更多
Redox-active organic compounds have received much attention as high-capacity electrodes for rechargeable batteries.However,the high solubility in organic electrolytes during charge and discharge processes hinders the ...Redox-active organic compounds have received much attention as high-capacity electrodes for rechargeable batteries.However,the high solubility in organic electrolytes during charge and discharge processes hinders the practical exploitation of organic compounds.This study presents a cobalt-based metal–organic coordination compound with bifunctional coordinated water(Co-MOC-H_(2)O)for sodium-ion storage.The coordinated water enhances interactions between sodium ions and nitrogen atoms in organic ligands through chelation,activating the inert sodium-ion storage sites(C=N).Moreover,the stable hydrogen bonded framework formed by the coordinated water molecules prevents the active organic compounds from dissolving into the electrolyte,thereby enhancing cycling stability.With the bifunctional coordinated water molecules,the Co-MOC-H_(2)O electrode delivers a high capacity of 403 mAh g^(-1)at 0.2 A g^(-1)over 600 cycles and exhibits a capacity retention of 77.9%at 2 A g^(-1)after 1100 cycles.This work highlights the crucial role of the coordinated water molecules in constructing high capacity and long-life sodium-ion storage materials.展开更多
The ion coordination affinities of the commonly found metal ions were evaluated using DFT calculations.The results indicate that the lowest unoccupied molecular orbital(LUMO)energy of metal ions correlates positively ...The ion coordination affinities of the commonly found metal ions were evaluated using DFT calculations.The results indicate that the lowest unoccupied molecular orbital(LUMO)energy of metal ions correlates positively with their binding energies with O(S)ligands,and some metal ions with various valence states also present different affinities.Besides,due to the steric hindrance effects,the mono-and hexa-coordinated metal ions may exhibit different affinities,and the majority of the studied hexa-coordinated metal ions exhibit oxophilicity.These affinity differences perfectly illustrate the activation flotation practice in which the oxyphilic ions are applied to activating oxide minerals,while thiophilic ions are applied to activating sulfide minerals.展开更多
To address the challenge of missing modal information in entity alignment and to mitigate information loss or bias arising frommodal heterogeneity during fusion,while also capturing shared information acrossmodalities...To address the challenge of missing modal information in entity alignment and to mitigate information loss or bias arising frommodal heterogeneity during fusion,while also capturing shared information acrossmodalities,this paper proposes a Multi-modal Pre-synergistic Entity Alignmentmodel based on Cross-modalMutual Information Strategy Optimization(MPSEA).The model first employs independent encoders to process multi-modal features,including text,images,and numerical values.Next,a multi-modal pre-synergistic fusion mechanism integrates graph structural and visual modal features into the textual modality as preparatory information.This pre-fusion strategy enables unified perception of heterogeneous modalities at the model’s initial stage,reducing discrepancies during the fusion process.Finally,using cross-modal deep perception reinforcement learning,the model achieves adaptive multilevel feature fusion between modalities,supporting learningmore effective alignment strategies.Extensive experiments on multiple public datasets show that the MPSEA method achieves gains of up to 7% in Hits@1 and 8.2% in MRR on the FBDB15K dataset,and up to 9.1% in Hits@1 and 7.7% in MRR on the FBYG15K dataset,compared to existing state-of-the-art methods.These results confirm the effectiveness of the proposed model.展开更多
基金Construction Program of the Key Discipline of State Administration of Traditional Chinese Medicine of China(ZYYZDXK-2023069)Research Project of Shanghai Municipal Health Commission (2024QN018)Shanghai University of Traditional Chinese Medicine Science and Technology Development Program (23KFL005)。
文摘Objective To develop a non-invasive predictive model for coronary artery stenosis severity based on adaptive multi-modal integration of traditional Chinese and western medicine data.Methods Clinical indicators,echocardiographic data,traditional Chinese medicine(TCM)tongue manifestations,and facial features were collected from patients who underwent coro-nary computed tomography angiography(CTA)in the Cardiac Care Unit(CCU)of Shanghai Tenth People's Hospital between May 1,2023 and May 1,2024.An adaptive weighted multi-modal data fusion(AWMDF)model based on deep learning was constructed to predict the severity of coronary artery stenosis.The model was evaluated using metrics including accura-cy,precision,recall,F1 score,and the area under the receiver operating characteristic(ROC)curve(AUC).Further performance assessment was conducted through comparisons with six ensemble machine learning methods,data ablation,model component ablation,and various decision-level fusion strategies.Results A total of 158 patients were included in the study.The AWMDF model achieved ex-cellent predictive performance(AUC=0.973,accuracy=0.937,precision=0.937,recall=0.929,and F1 score=0.933).Compared with model ablation,data ablation experiments,and various traditional machine learning models,the AWMDF model demonstrated superior per-formance.Moreover,the adaptive weighting strategy outperformed alternative approaches,including simple weighting,averaging,voting,and fixed-weight schemes.Conclusion The AWMDF model demonstrates potential clinical value in the non-invasive prediction of coronary artery disease and could serve as a tool for clinical decision support.
文摘With the boom in maritime activities,the need for highly reliable maritime communication is becoming urgent,which is an important component of 5G/6G communication networks.However,the bandwidth reuse characteristic of 5G/6G networks will inevitably lead to severe interference,resulting in degradation in the communication performance of maritime users.In this paper,we propose a safe deep reinforcement learning based interference coordination scheme to jointly optimize the power control and bandwidth allocation in maritime communication systems,and exploit the quality-of-service requirements of users as the risk value references to evaluate the communication policies.In particular,this scheme designs a deep neural network to select the communication policies through the evaluation network and update the parameters using the target network,which improves the communication performance and speeds up the convergence rate.Moreover,the Nash equilibrium of the interference coordination game and the computational complexity of the proposed scheme are analyzed.Simulation and experimental results verify the performance gain of the proposed scheme compared with benchmarks.
基金Supported by the Postgraduate Research&Practice Innovation Program of Jiangsu Province(KYCX24_0102)the China Scholarship Council Program(202406190114)。
文摘Studying the coupling coordination development of new energy vehicles(NEVs)and the ecological environment in China is helpful in promoting the development of NEVs in the country and is of great significance in promoting high-quality development of new energy in China.This paper constructs an evaluation index system for the development of NEVs and the ecological environment.It uses game theory combining weighting model,particle swarm optimized projection tracking evaluation model,coupling coordination degree model,and machine learning algorithms to calculate and analyze the level of coupling coordination development of NEVs and the ecological environment in China from 2010 to 2021,and identifies the driving factors.The research results show that:(i)From 2010 to 2021,the development index of NEVs in China has steadily increased from 0.085 to 0.634,while the ecological environment level index significantly rose from 0.170 to 0.884,reflecting the continuous development of China in both NEVs and the ecological environment.(ii)From 2010 to 2012,the two systems—new energy vehicle(NEV)development and the ecological environment—were in a period of imbalance and decline.From 2013 to 2016,they underwent a transition period,and from 2017 to 2021,they entered a period of coordinated development showing a trend of benign and continuous improvement.By 2021,they reached a good level of coordination.(iii)Indicators such as the number of patents granted for NEVs,water consumption per unit of GDP,and energy consumption per unit of GDP are the main driving factors affecting the coupling coordination development of NEVs and the ecological environment in China.
文摘One Yb(Ⅲ)-based coordination polymer,{[Yb(H_(2)dhtp)1.5(H_(2)O)_(4)]·3H_(2)O}n(1)(H_(4)dhtp=2,5-dihydroxytere-phthalic acid),was fabricated and structurally characterized by single-crystal X-ray diffraction,IR,powder X-ray diffraction,X-ray diffraction,and elemental analysis.Complex 1 displays a 1D chain structure,and belongs to P1 group.The solid-state luminescent spectrum of 1 showed an emission band with the maximum at 508 nm(λex=408 nm).It exhibited the emission characteristic of the H_(4)dhtp ligand.The fluorescence of 1 in water displayed the stron-gest intensity.In detecting various metal ions,adding Zr^(4+)led to a blue shift in fluorescence,accompanied by an increase in intensity,whereas the presence of Fe^(3+)resulted in a decrease in luminescence.The changes observed in the IR spectrum indicate an interaction between Fe^(3+)/Zr^(4+)and complex 1,resulting in the variation of luminescence properties.
文摘Under the condition of solvothermal synthesis,the viologen ligand 1,1′-bis(3-carboxyphenyl)-(4,4′-bipyri-dine)dichloride(H_(2)bcbpy·2Cl)and KI are coordinated with the metal cadmium ions.A case of thermochromic coor-dination polymer[Cd(bcbpy)I_(2)]·2H_(2)O(1)was constructed.Complex 1 displays a 1D chain structure and exhibits thermochromic behavior.Under different temperature stimulation,the complex(ground)slowly changed from green to yellow-green,and with the increase of temperature,the color of complex 1 gradually deepened,and finally became orange-yellow.Therefore,complex 1 was prepared as a thermochromic film.In addition,we also performed electrochemical tests on complex 1,which showed that the complex is a semiconductor material.CCDC:2391802.
文摘We report five coordination polymers(CPs)based on fluorescent ligands[1,6-di(1H-imidazol-1-yl)pyrene(dip),9,10-di(1H-imidazol-1-yl)anthracene(dia)]and anionic ligands[cyclohexane-1,4-dicarboxylic acid(H_(2)cda),camphoric acid(H_(2)cpa)].In[Cd(dip)(cda)]·4H_(2)O}_(n)(1),the Cd^(2+)ions,acting as tetrahedral nodes,are linked by dipand cda^(2-)ligands with four Cd^(2+)ions into five-fold interpenetrating network array of topology of dia.In{[Cd(dip)(cpa)]·4H_(2)O}_(n)(2),the Cd^(2+)ions,acting as a 4-connector,are linked by cpa^(2-)and dip ligands into a 3D framework ofcds topology.In{[Ni(dia)_(2)Cl_(2)]·DMF}_(n)(3),the Ni^(2+)ion is linked by four dia ligands into a layer structure,and 1Dchannels of a cross-section of 1.35 nm×0.96 nm are formed.In{[Cd(dia)_(2)(H_(2)O)_(2)](NO_(3))_(2)·2DMSO}n(4),the dia ligandsconnected Cd^(2+)ions into a 2D layer,and 1D channels are formed between adjacent layers with a cross-section of0.87 nm×0.43 nm.In[Zn(dip)Cl_(2)]_(n)(5),the Zn^(2+)ion is linked by dip ligands into an infinite 1D chain.The infrared,thermal gravimetric,and fluorescent emission data were collected and analyzed for these coordination polymers.CCDC:2356055,1;2440075,2;2356057,3;2356057,4;2356059,5.
文摘Six coordination polymers based on 9,10-di(pyridine-4-yl)-anthracene(DPA)and 1,6-di(1H-imidazol-1-yl)pyrene(DIP)were obtained by solvothermal reactions.{[Zn(DPA)Cl_(2)]·DMF·2H_(2)O}n(1)and{[Zn_(1.5)(DPA)_(1.5)Cl_(3)]·5H_(2)O}n(2)are framework isomers,which both contain zigzag chains formed by DPA,Zn^(2+),and Cl-.The zigzag chains in 1 are further assembled by C—H…Cl interactions into layers,and these layers exhibit two different orientations,displaying a rare 2D to 3D interpenetration mode.The zigzag chains in 2 are parallelly arranged.{[Zn_(3)(DPA)_(3)Br_(6)]·2DMF·_(1.5)H_(2)O}n(3)is isostructural to 2.3 was obtained using ZnBr_(2)instead of ZnCl_(2).[M(DPA)(formate)_(2)(H_(2)O)_(2)]n[M=Co(4),Cu(5)]are isostructural,contain chain structures formed by DPA,Cu^(2+)/Co^(2+),and for-mate ions,which were formed in situ in the solvothermal reaction.{[Zn(DIP)_(2)Cl]ClO_(4)}n(6)contains a layer structure formed by DIP and Zn^(2+).Free DPA and DIP ligands exhibited high fluorescence at room temperature,and coordina-tion polymers 3 and 6 displayed enhanced fluorescent emissions.
文摘Two new Mn(Ⅱ)coordination polymers,namely{[Mn_(2)(HL)(phen)_(3)(H_(2)O)_(2)]·7.5H_(2)O}_n(1)and[Mn_(4)(HL)_(2)(1,4-bib)_(3)(H_(2)O)_(2)]_n(2),were synthesized under hydrothermal conditions by using Mn(Ⅱ)ions and 6-(3',4'-dicarboxylphenoxy)-1,2,4-benzenetricarboxylic acid(H_(5)L)in the presence of N-auxiliary ligands 1,10-phenanthroline(phen)and1,4-bis(1H-imidazol-1-yl)benzene(1,4-bib).The structures of coordination polymers 1 and 2 were characterized by infrared spectroscopy,single-crystal X-ray diffraction,thermogravimetric analysis,and powder X-ray diffraction.Single-crystal X-ray diffraction reveals that 1 has a 1D chain structure based on binuclear Mn(Ⅱ)units,while 2 features a(3,8)-connected 3D network structure based on tetranuclear Mn(Ⅱ)units.Magnetic studies show that 1 and 2exhibit antiferromagnetic interactions between manganese ions.2 shows stronger antiferromagnetic interactions due to the shorter Mn…Mn distances within the tetranuclear manganese units.CCDC:2357601,1;2357602,2.
文摘A novel coordination polymer(CP){[Cd_(2)(L)(1,4-bimb)_(1.5)(DMF)_(2)]·DMF}n(1)(H_(4)L=5,5'-[1,1'-biphenyl-4,4'-diylbis(oxy)]diisophthalic acid,1,4-bimb=1,4-bis(imidazole-1-ylmethyl)-benzene)has been designed and synthesized through solvothermal reaction.Structural analysis shows that Cd(Ⅱ)is connected by H4L and 1,4-bimb to form a 2D network,and 1,4-bimb further expands the 2D network into a 3D framework.CP 1 can be used as an excellent fluorescence sensor for Fe^(3+)and 4-nitrophenol(4-NP),with low detection limits and good anti-interference.The detection limits of Fe^(3+)and 4-NP were 0.034 and 0.031μmol·L^(-1),respectively.In addition,the fluorescence quenching mechanism was studied.1 was successfully applied to determine Fe^(3+)and 4-NP content in the Yanhe River water sample.CCDC:2351092.
基金supported by the Fundamental Research Funds for the Central Universities(No.22120230104).
文摘High-entropy alloy(HEA)nanoparticles(NPs)have attracted great attention in electrocatalysis due to their tailorable complex compositions and unique properties.Herein,we introduce Fe,Co,Ni,Cr and Mn into the metal-polyphenol coordination system to prepare HEA NPs enclosed in N-doped carbon(FeCoNiCrMn)with great potential for catalyzing oxygen reduction reaction(ORR)and oxygen evolution reaction(OER).The unique high-entropy structural characteristics in FeCoNiCrMn facilitate effective interplay between metal species,leading to improved ORR(E_(1/2)=0.89 V)and OER(η=330 mV,j=10 mA·cm^(−2))activity.Additionally,FeCoNiCrMn exhibits excellent open-circuit voltage(1.523 V),power density(110 mW·cm^(−2))and long-term durability,outperforming Pt/C+IrO_(2) electrodes as a cathode catalyst in Zn-air batteries(ZABs).Such polyphenol-assisted alloying method broadens and simplifies the development of HEA electrocatalysts for high-performance ZABs.
文摘A low-cost 1D cobalt-based coordination polymer(CP)[Co(BGPD)(DMSO)_(2)(H_(2)O)_(2)](Co-BD;H2BGPD=N,N'-bis(glycinyl)pyromellitic diimide;DMSO=dimethyl sulfoxide)was synthesized by a simple method,and its crystal structure was characterized.In a three-electrode system,Co-BD,as the electrode material for supercapacitors,achieved a specific capacitance of 830 F·g^(-1)at 1 A·g^(-1),equivalent to a specific capacity of 116.4 mAh·g^(-1),and exhibited high-rate capability,reaching 212 F·g^(-1)at 20 A·g^(-1).Impressively,Co-BD||rGO(reduced graphene oxide),representing an asymmetrical supercapacitor,owns a higher energy density of 14.2 Wh·kg^(-1)at 0.80 kW·kg^(-1),and an excellent cycle performance(After 4000 cycles at 1 A·g^(-1),the capacitance retention was up to 94%).CCDC:2418872.
文摘Reaction of the non-substituted/substituted unsymmetric pinene-derived complex[Pt(N^C^N')Cl]with the aryl isocyanide 2,6-dimethylphenyl isocyanide(CNXyl)afforded a mixture of two isomeric species:the ionic complex[Pt(κ^(3)-N^C^N')(CNXyl)]Cl([A]Cl)and the molecular complex[Pt(κ^(2)-N^C^N')(CNXyl)Cl](B).Isomer B was almost the dominating product.The structures of the isomer B derivatives bearing-CF_(3)and-Cl substituents on the pyridine ring of the pinene moiety(5B and 7B,respectively)have been confirmed by single-crystal X-ray diffraction,revealing a slightly distorted square planar geometry with trans-N_(N^C^N'),CNR configuration(The terminal N atom of theκ^(2)-N^C^N'ligand is trans to the isocyanide ligand CNXyl.).Isomer B is thermodynamically more stable,as confirmed by theoretical calculations.CCDC:2416415,5B;2416414,7B.
基金funded by Research Project,grant number BHQ090003000X03.
文摘Multi-modal Named Entity Recognition(MNER)aims to better identify meaningful textual entities by integrating information from images.Previous work has focused on extracting visual semantics at a fine-grained level,or obtaining entity related external knowledge from knowledge bases or Large Language Models(LLMs).However,these approaches ignore the poor semantic correlation between visual and textual modalities in MNER datasets and do not explore different multi-modal fusion approaches.In this paper,we present MMAVK,a multi-modal named entity recognition model with auxiliary visual knowledge and word-level fusion,which aims to leverage the Multi-modal Large Language Model(MLLM)as an implicit knowledge base.It also extracts vision-based auxiliary knowledge from the image formore accurate and effective recognition.Specifically,we propose vision-based auxiliary knowledge generation,which guides the MLLM to extract external knowledge exclusively derived from images to aid entity recognition by designing target-specific prompts,thus avoiding redundant recognition and cognitive confusion caused by the simultaneous processing of image-text pairs.Furthermore,we employ a word-level multi-modal fusion mechanism to fuse the extracted external knowledge with each word-embedding embedded from the transformerbased encoder.Extensive experimental results demonstrate that MMAVK outperforms or equals the state-of-the-art methods on the two classical MNER datasets,even when the largemodels employed have significantly fewer parameters than other baselines.
基金funded by Research Project,grant number BHQ090003000X03。
文摘Multi-modal knowledge graph completion(MMKGC)aims to complete missing entities or relations in multi-modal knowledge graphs,thereby discovering more previously unknown triples.Due to the continuous growth of data and knowledge and the limitations of data sources,the visual knowledge within the knowledge graphs is generally of low quality,and some entities suffer from the issue of missing visual modality.Nevertheless,previous studies of MMKGC have primarily focused on how to facilitate modality interaction and fusion while neglecting the problems of low modality quality and modality missing.In this case,mainstream MMKGC models only use pre-trained visual encoders to extract features and transfer the semantic information to the joint embeddings through modal fusion,which inevitably suffers from problems such as error propagation and increased uncertainty.To address these problems,we propose a Multi-modal knowledge graph Completion model based on Super-resolution and Detailed Description Generation(MMCSD).Specifically,we leverage a pre-trained residual network to enhance the resolution and improve the quality of the visual modality.Moreover,we design multi-level visual semantic extraction and entity description generation,thereby further extracting entity semantics from structural triples and visual images.Meanwhile,we train a variational multi-modal auto-encoder and utilize a pre-trained multi-modal language model to complement the missing visual features.We conducted experiments on FB15K-237 and DB13K,and the results showed that MMCSD can effectively perform MMKGC and achieve state-of-the-art performance.
文摘Two new transition-metal coordination polymers,{[Cd(oba)(L)_(2)]·H_(2)O}_n(1)and[Cd(4-nph)(L)_(2)]_n(2)(H_(2)oba=4,4'-oxydibenzoic acid,4-H_(2)nph=4-nitrophthalic acid,L=2,2'-biimidazole),were successfully synthesized under hydrothermal conditions and characterized structurally by IR spectroscopy,elemental analyses,single-crystal X-ray diffraction,powder X-ray diffraction,and thermogravimetric analysis.The results of single-crystal X-ray diffraction show that complex 1 presents a 1D zigzag chain structure and further extends to a 2D network through N—H…O hydrogen bonds andπ-πstacking interactions.Meanwhile,complex 2 has a zero-dimensional structure and also extends to form a 2D network through N—H…O hydrogen bonds andπ-πstacking interactions.In addition,both 1and 2 exhibited luminescent properties in the solid state.Furthermore,quantum chemical calculations were carried out on the"molecular fragments"extracted from the crystal structures of 1 and 2 using the PBE0/LANL2DZ method constructed by the Gaussian 16 program.The calculated values signify a significant covalent interaction between the coordination atoms and the Cd(Ⅱ)ions.CCDC:2332173,1;2332176,2.
基金supported by the Deanship of Research and Graduate Studies at King Khalid University under Small Research Project grant number RGP1/139/45.
文摘Integrating multiple medical imaging techniques,including Magnetic Resonance Imaging(MRI),Computed Tomography,Positron Emission Tomography(PET),and ultrasound,provides a comprehensive view of the patient health status.Each of these methods contributes unique diagnostic insights,enhancing the overall assessment of patient condition.Nevertheless,the amalgamation of data from multiple modalities presents difficulties due to disparities in resolution,data collection methods,and noise levels.While traditional models like Convolutional Neural Networks(CNNs)excel in single-modality tasks,they struggle to handle multi-modal complexities,lacking the capacity to model global relationships.This research presents a novel approach for examining multi-modal medical imagery using a transformer-based system.The framework employs self-attention and cross-attention mechanisms to synchronize and integrate features across various modalities.Additionally,it shows resilience to variations in noise and image quality,making it adaptable for real-time clinical use.To address the computational hurdles linked to transformer models,particularly in real-time clinical applications in resource-constrained environments,several optimization techniques have been integrated to boost scalability and efficiency.Initially,a streamlined transformer architecture was adopted to minimize the computational load while maintaining model effectiveness.Methods such as model pruning,quantization,and knowledge distillation have been applied to reduce the parameter count and enhance the inference speed.Furthermore,efficient attention mechanisms such as linear or sparse attention were employed to alleviate the substantial memory and processing requirements of traditional self-attention operations.For further deployment optimization,researchers have implemented hardware-aware acceleration strategies,including the use of TensorRT and ONNX-based model compression,to ensure efficient execution on edge devices.These optimizations allow the approach to function effectively in real-time clinical settings,ensuring viability even in environments with limited resources.Future research directions include integrating non-imaging data to facilitate personalized treatment and enhancing computational efficiency for implementation in resource-limited environments.This study highlights the transformative potential of transformer models in multi-modal medical imaging,offering improvements in diagnostic accuracy and patient care outcomes.
文摘A coordination polymer{[Cd(H_(2)dpa)(bpy)]·3H_(2)O}_(n)(Cd-CP)was designed and hydrothermal synthesized based on 4-(2,4-dicarboxyphenoxy)phthalic acid(H_(4)dpa),2,2'-bipyridine(bpy)and Cd(NO_(3))_(2)·4H_(2)O.The structure was characterized by single-crystal X-ray diffraction,powder X-ray diffraction,elemental analysis,and infrared spectroscopy.Cd-CP belongs to the monoclinic crystal system with the P2_1/c space group and performs in a 1D double-chain structure.The adjacent double chains further form a 3D supramolecular network structure through hydrogen bonding.Thermogravimetric analysis shows that Cd-CP has good thermal stability.Fluorescence analysis showed that Cd-CP had good choosing selectively and was sensitive to metal ions(Fe^(3+)and Zn^(2+)),2,4,6-trinitrophenylhydrazine(TRI),and pyrimethanil(Pth).Interestingly,when Cd-CP was used for fluorescence detection of metal ions,it was found to have a fluorescence quenching effect on Fe^(3+)but had an obvious enhancement effect on Zn^(2+).Therefore,we designed an“on-off-on”logic gate.In addition,the mechanism of fluorescence sensing has been deeply explored.CCDC:2258625.
基金supported by the National Natural Science Foundation of China(22121005,92372203,92372001,52072186,and 52301278)the National Key Research and Development Program of China(2022YFB2402200)+3 种基金the Science and Technology Plans of Tianjin(23JCYBJC00170)the Fundamental Research Funds for the Central Universities,Nankai University(63241206 and 9242000710)Shanghai Jiao Tong University Shaoxing Research Institute of Renewable Energy and Molecular Engineering(JDSX2023003)the Natural Science Foundation of Jiangsu Province(BK20230937).
文摘Redox-active organic compounds have received much attention as high-capacity electrodes for rechargeable batteries.However,the high solubility in organic electrolytes during charge and discharge processes hinders the practical exploitation of organic compounds.This study presents a cobalt-based metal–organic coordination compound with bifunctional coordinated water(Co-MOC-H_(2)O)for sodium-ion storage.The coordinated water enhances interactions between sodium ions and nitrogen atoms in organic ligands through chelation,activating the inert sodium-ion storage sites(C=N).Moreover,the stable hydrogen bonded framework formed by the coordinated water molecules prevents the active organic compounds from dissolving into the electrolyte,thereby enhancing cycling stability.With the bifunctional coordinated water molecules,the Co-MOC-H_(2)O electrode delivers a high capacity of 403 mAh g^(-1)at 0.2 A g^(-1)over 600 cycles and exhibits a capacity retention of 77.9%at 2 A g^(-1)after 1100 cycles.This work highlights the crucial role of the coordinated water molecules in constructing high capacity and long-life sodium-ion storage materials.
基金financially supported by the National Natural Science Foundation of China(Nos.52074356,U20A20269)the Key Technology Research and Development Program,China(No.2022YFC2904503)+4 种基金the Special Fund for the Construction of Hunan Province,China(No.2023SK2061)the Science and Technology Innovation Program of Hunan Province,China(No.2022RC1183)the Changsha Science and Technology Project(Changsha Outstanding Innovative Youth Training Program),ChinaInnovation-driven Project of Central South University,China(No.2023CXQD002)Higher Education Discipline Innovation Project,China(No.B14034)。
文摘The ion coordination affinities of the commonly found metal ions were evaluated using DFT calculations.The results indicate that the lowest unoccupied molecular orbital(LUMO)energy of metal ions correlates positively with their binding energies with O(S)ligands,and some metal ions with various valence states also present different affinities.Besides,due to the steric hindrance effects,the mono-and hexa-coordinated metal ions may exhibit different affinities,and the majority of the studied hexa-coordinated metal ions exhibit oxophilicity.These affinity differences perfectly illustrate the activation flotation practice in which the oxyphilic ions are applied to activating oxide minerals,while thiophilic ions are applied to activating sulfide minerals.
基金partially supported by the National Natural Science Foundation of China under Grants 62471493 and 62402257(for conceptualization and investigation)partially supported by the Natural Science Foundation of Shandong Province,China under Grants ZR2023LZH017,ZR2024MF066,and 2023QF025(for formal analysis and validation)+1 种基金partially supported by the Open Foundation of Key Laboratory of Computing Power Network and Information Security,Ministry of Education,Qilu University of Technology(Shandong Academy of Sciences)under Grant 2023ZD010(for methodology and model design)partially supported by the Russian Science Foundation(RSF)Project under Grant 22-71-10095-P(for validation and results verification).
文摘To address the challenge of missing modal information in entity alignment and to mitigate information loss or bias arising frommodal heterogeneity during fusion,while also capturing shared information acrossmodalities,this paper proposes a Multi-modal Pre-synergistic Entity Alignmentmodel based on Cross-modalMutual Information Strategy Optimization(MPSEA).The model first employs independent encoders to process multi-modal features,including text,images,and numerical values.Next,a multi-modal pre-synergistic fusion mechanism integrates graph structural and visual modal features into the textual modality as preparatory information.This pre-fusion strategy enables unified perception of heterogeneous modalities at the model’s initial stage,reducing discrepancies during the fusion process.Finally,using cross-modal deep perception reinforcement learning,the model achieves adaptive multilevel feature fusion between modalities,supporting learningmore effective alignment strategies.Extensive experiments on multiple public datasets show that the MPSEA method achieves gains of up to 7% in Hits@1 and 8.2% in MRR on the FBDB15K dataset,and up to 9.1% in Hits@1 and 7.7% in MRR on the FBYG15K dataset,compared to existing state-of-the-art methods.These results confirm the effectiveness of the proposed model.
