Interpreting Randomly Wired Graph Models for Chinese NER

Interpreting deep neural networks is of great importance to understand and verify deep models for natural language processing(NLP)tasks.However,most existing approaches only focus on improving the performance of models but ignore their interpretability.In this work,we propose a Randomly Wired Graph Neural Network(RWGNN)by using graph to model the structure of Neural Network,which could solve two major problems(word-boundary ambiguity and polysemy)of ChineseNER.Besides,we develop a pipeline to explain the RWGNNby using Saliency Map and Adversarial Attacks.Experimental results demonstrate that our approach can identify meaningful and reasonable interpretations for hidden states of RWGNN.

Role of necroptosis in spinal cord injury and its therapeutic implications

Spinal cord injury(SCI),a complex neurological disorder,triggers a series of devastating neuropathological events such as ischemia,oxidative stress,inflammatory events,neuronal apoptosis,and motor dysfunction.However,the classical necrosome,which consists of receptor-interacting protein(RIP)1,RIP3,and mixed-lineage kinase domain-like protein,is believed to control a novel type of programmed cell death called necroptosis,through tumour necrosis factor-alpha/tumour necrosis factor receptor-1 signalling or other stimuli.Several studies reported that necroptosis plays an important role in neural cell damage,release of intracellular pro-inflammatory factors,lysosomal dysfunction and endoplasmic reticulum stress.Recent research indicates that necroptosis is crucial to the pathophysiology of a number of neurological disorders and SCIs.In our review,we summarize the potential role of programmed cell death regulated by necroptosis in SCI based on its molecular and pathophysiological mechanisms.We also summarize the targets of several necroptosis pathways,which provide a more reliable reference for the treatment of SCI.

精确可控串联策略触发高效的氧还原活性

探索高效、经济的非金属氧还原(ORR)电催化剂已成为电化学能源体系的关键.科学界最具挑战性的目标之一是通过合理地验证和精确地调节活性位点来设计结构明确、性能优异的催化剂材料.本文提出一种精确和可控的串联协同作用的活性位点策略,以提高MFCOFs的ORR催化活性.以亚胺-N、噻吩-S和三嗪-N等作为结构单元,通过精确的串联策略合成了三种MFCOFs,分别为亚胺-N构建的TFPB-TAPB-COF、亚胺-N和噻吩-S构建的BTT-TAPB-COF以及亚胺-N、噻吩-S和三嗪-N三种活性中心构建的BTT-TAT-COF.将三种MFCOFs置于超临界二氧化碳中活化处理后,采用傅里叶变换红外光谱仪、X射线衍射、交叉极化结合魔角旋转技术^(13)C核磁共振法和热重分析法、氮气吸脱附曲线等表征手段对其进行了测试,并在含有0.1 M KOH的电解液中测试其ORR催化活性.结果表明,与BTT-TAPB-COF相比,BTT-TAT-COF展现出更优异的ORR催化性能;而BTT-TAPB-COF的催化性能优于TFPB-TAPB-COF.具体表现为,BTT-TAT-COF的半波电位(0.77 V)和起始电位(0.87 V)均高于BTT-TAPB-COF(0.71 V,0.80 V)和TFPB-TAPB-COF(0.65,0.73 V).此外,BTT-TAT-COF表现出较低的塔菲尔斜率和接近于4电子的ORR过程,说明其具有较高的反应速率.DFT计算结果表明,在费米能级附近,BTT-TAPB-COF比TFPB-TAPB-COF具有更窄的带隙,而BTT-TAT-COF具有最窄的带隙.因此,与TFPB-TAPB-COF和BTT-TAPB-COF相比,BTT-TAT-COF可以更有效地激发电子转移,增强ORR活性.此外,利用三种结构的吉布斯自由能图分析了ORR的过电位.结果表明,当亚胺-N、噻吩-S和三嗪-N结构被引入骨架后,相同位点的过电势降低.由此可见,亚胺-N、噻吩-S和三嗪-N作为催化活性位点诱导了正的ORR过程.此外,BTT-TAT-COF中部分碳原子(BTT-TAT-5,9,10)的过电势均低于BTT-TAPB-COF和TFPB-TAPB-COF中所有位点的过电势,表明多活性位点发挥了协同催化的作用.本文证明了精确串联协同催化的多活性位点策略提高ORR性能的可行性,并为构建高效的COF基非金属ORR催化剂提供新的见解.

Predicting Simplified Thematic Progression Pattern for Discourse Analysis

The pattern of thematic progression,reflecting the semantic relationships between contextual two sentences,is an important subject in discourse analysis.We introduce a new corpus of Chinese news discourses annotated with thematic progression information and explore some computational methods to automatically extracting the discourse structural features of simplified thematic progression pattern(STPP)between contextual sentences in a text.Furthermore,these features are used in a hybrid approach to a major discourse analysis task,Chinese coreference resolution.This novel approach is built up via heuristic sieves and a machine learning method that comprehensively utilizes both the top-down STPP features and the bottom-up semantic features.Experimental results on the intersection of the CoNLL-2012 task shared dataset and the CDTC corpus demonstrate the effectiveness of our proposed approach.

Realizing a“solid to solid”process via in situ cathode electrolyte interface(CEI)by solvent-in-salt electrolyte for Li-S batteries

Lithium-sulfur batteries(LSBs)are regarded as the most promising next-generation energy system due to their high theoretical energy density.However,LSBs suffer the“shuttle effect”if undergoing the solid-liquid-solid sulfur conversion process during cycling.Herein,we design a solvent-in-salt(SIS)electrolyte with co-solvent vinylene carbonate(VC)to synthesize an in situ dense cathode electrolyte interface(CEI)and successfully change sulfur conversion into a solid-solid way to avoid shuttle effect by separating the contact of sulfur and ether solvent.Dense CEI is formed at the beginning of first discharge by the combined action of SIS electrolyte and filmogen VC.Experiments and simulations show that SIS electrolyte controls the initial formed lithium polysulfides(LiPSs)to stay very closely on the cathode surface,and then converts them into a dense CEI film.As a result,Coulombic efficiency(above 99%)and cycling performance of LSBs are improved.Furthermore,the in situ dense CEI can nearly stop the self-discharge of LSBs,and enable the LSBs to work under a pretty lean electrolyte condition.

Encapsulation of ultrafine Pd nanoparticles within the shallow layers of UiO-67 for highly efficient hydrogenation reactions

Metal-organic frameworks(MOFs)have been used to encapsulate active metal nanoparticles(MNPs)to fabricate MNPs@MOFs composites with high catalytic efficiencies.However,the diffusion of reactants and the accessibility of MNPs located in the center of MOFs may be hindered due to the inherent microporous structures of MOFs,which would affect the catalytic activities of MNPs.Herein,we report a solvent assisted ligand exchange-hydrogen reduction(SALE-HR)strategy to selectively encapsulate ultrafine MNPs(Pd or Pt)within the shallow layers of a MOF,i.e.,UiO-67.The particle sizes of the encapsulated MNPs and the thickness of the MNPs-embedded layers can be adjusted easily by controlling the SALE conditions(e.g.time and temperature).Crucially,the LE-Pd@UiO-80-0.5 composite with the thinnest Pd-embedded layers displays remarkable catalytic efficiency with a high turnover frequency(TOF)value of 600 h^-1towards hydrogenation of nitrobenzene under 1 atm H_2at room temperature.The results indicate that the catalytic efficiency and the utilization of MNPs can be enhanced by compactly encapsulating MNPs within the shallow layers of MOFs as close to their outer surfaces as possible,owing to the short masstransfer distance and enhanced accessibility of overall MNPs.

Single-atomic Mn sites coupled with Fe_(3)C nanoparticles encapsulated in carbon matrixes derived from bimetallic Mn/Fe polyphthalocyanine conjugated polymer networks for accelerating electrocatalytic oxygen reduction

The construction of robust coupling catalysts for accelerating electrocatalytic oxygen reduction reaction(ORR)through the modulation of the electronic structure and local atomic configuration is critical but remains challenging.Herein,we report a facile and effective isolation-polymerization-pyrolysis(IPP)strategy for high-precision synthesis of single-atomic Mn sites coupled with Fe_(3)C nanoparticles encapsulated in N-doped porous carbon matrixes(Mn SAs/Fe_(3)C NPs@NPC)catalyst derived from predesigned bimetallic Fe/Mn polyphthalocyanine(FeMn-BPPc)conjugated polymer networks by solid-phase reaction approach.Benefiting from the synergistic effects between the single-atomic Mn-N_(4)sites and Fe_(3)C NPs as well as the confinement effect of NPC,the Mn SAs/Fe_(3)C NPs@NPC catalyst exhibited excellent electrocatalytic activity and stability for ORR.The assembled Znair battery displayed larger power density of 186 mW·cm^(−2)than that of Pt/C+Ir/C-based battery.It also exhibits excellent stability without obvious voltage change after 106 cycles with 36 h.Combing in-situ Raman spectra with in-situ attenuated total reflectance surface-enhanced infrared absorption spectroscopy(ATR-SEIRAS)characterization results indicated that the Mn-N_(4)site as an active site for the O_(2)adsorption-activation process,which effectively facilitates the generation of key*OOH intermediates and*OH desorption to promote the multielectron reaction kinetics.Theoretical calculation reveals that the excellent electrocatalytic performance originates from the charge redistribution and the d orbital shift resulting from Mn-Fe bond,which buffers the activity of ORR through the electron reservoir capable of electron donation or releasing.This work paves a novel IPP strategy for constructing high-performance coupling electrocatalyst towards the ORR for energy conversion devices.