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Explainable artificial intelligence models for mineral prospectivity mapping

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Science China Earth Sciences 2024年第9期67卷 2864-2875页

作者： Renguang zuo Qiuming CHENG Ying XU Fanfan YANG Yihui xiONG Ziye WANG Oliver P.KREUZER State Key Laboratory of Geological Processes and Mineral Resources China University of GeosciencesWuhan 430074China School of Earth Sciences and Engineering Sun Yat-sen UniversityZhuhai 519000China Corporate Geoscience Group(CGSG) PO Box 5128 Rockingham BeachWA 6969Australia Economic Geology Research Centre(EGRU) College of Science and EngineeringJames Cook UniversityTownsvilleQLD 4811Australia

Mineral prospectivity mapping(MPM)is designed to reduce the exploration search space by combining and analyzing geological prospecting big *** geological big data are too large and complex for humans to effectively handle and *** intelligence(AI)algorithms,which are powerful tools for mining nonlinear mineralization patterns in big data obtained from mineral exploration,have demonstrated excellent performance in ***,AI-driven MPM faces several challenges,including difficult interpretability,poor generalizability,and physical *** this study,based on previous studies,we devised a novel workflow that aims to constructing more transparent and explainable artificial intelligence(XAI)models for MPM by embedding domain knowledge throughout the AI-driven MPM,from input data to model design and model *** newly proposed approach provides strong geological and conceptual leads that guide the entire AI-driven MPM model training process,thereby improving model interpretability and ***,the development of XAI models for MPM is capable of embedding prior and expert knowledge throughout the modeling process,presenting a valuable and promising area for future research designed to improve MPM.

关键词： Artificial intelligence Mineral prospectivity mapping Geological prospecting big data Domain knowledge Interpretability

Upcycling electroplating sludge into bioengineering-enabled highly stable dual-site Fe-Ni_(2)P@C electrocatalysts for efficient oxygen evolution

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Nano Research 2024年第8期17卷 6984-6992页

作者： Jiawen Liu Zunpeng zuo Feng Gao Kai Yi Jiahui Lin Mengye Wang Zhang Lin Feng Huang State Key Laboratory of Optoelectronic Materials and Technologies School of MaterialsSun Yat-Sen UniversityGuangzhou 510275China Department of Chemistry City University of Hong KongHong Kong 999077China School of Metallurgy and Environment Central South UniversityChangsha 410083China Ganjiang Innovation Academy Chinese Academy of SciencesGanzhou 341000China

The advancement of bimetallic catalysts holds significant promise for the innovation of oxygen evolution reaction(OER)*** from adsorbate evolution mechanism(AEM)and lattice oxygen oxidation mechanism(LOM),the incorporation of dual active sites has the potential to foster novel OER pathways,such as the coupled oxygen evolution mechanism(COM),which can surpass the limitations of OER and elevate catalytic *** this study,uniformly distributed Fe/Ni dual-site Fe-Ni_(2)P@C electrocatalysts are crafted by upcycling metals in electroplating sludge via an eco-friendly and sustainable microbial engineering *** findings indicate that a substantial number of defects emerge at the Ni2P crystal during the OER process,laying the groundwork for lattice oxygen ***,the displacement of Ni/Fe in the crystal lattice intensifies the asymmetry of the electronic structure at the metal active sites,facilitating the deprotonation *** research introduces an innovative paradigm for the synthesis of effective and robust transition metal-based OER catalysts,with implications for sustainable energy generation technologies.

关键词： oxygen evolution reaction dual active sites adsorbate evolution mechanism lattice oxygen mechanism bioengineering

Brain-inspired dual-pathway neural network architecture and its generalization analysis

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Science China(Technological Sciences) 2024年第8期67卷 2319-2330页

作者： DONG SongLin TAN ChengLi zuo ZhenTao HE YuHang GONG YiHong ZHOU TianGang LIU JunMin ZHANG JiangShe College of Artiﬁcial Intelligence Xi’an Jiaotong UniversityXi’an 710049China School of Mathematics and Statistics Xi’an Jiaotong UniversityXi’an 710049China State Key Laboratory of Brain and Cognitive Science Institute of BiophysicsChinese Academy of SciencesBeijing 100101China Institute of Artiﬁcial Intelligence Hefei Comprehensive National Science CenterHefei 230088China University of Chinese Academy of Sciences Beijing 100049China

In this study, we explored the neural mechanism of global topological perception in the human visual system. We showed strong evidence that the retinotectal pathway in the archicortex of the human brain is responsible for global topological perception, and for modulating the local feature processing in the classical ventral visual pathway. Inspired by this recent cognitive discovery,we developed a novel CogNet architecture to emulate the global-local dichotomy of human visual cognitive mechanisms. The thorough experimental results indicate that the proposed CogNet not only significantly improves image classification accuracies but also effectively addresses the texture bias problem observed in baseline CNN models. We have also conducted mathematical analysis for the generalization gap for general neural networks. Our theoretical derivations suggest that the Hurst parameter, a measure of the curvature of the loss landscape, can closely bind the generalization gap. A larger Hurst parameter corresponds to a better generalization ability. We found that our proposed CogNet achieves a lower test error and attains a larger Hurst parameter,strengthening its superiority over the baseline CNN models further.

关键词： global topological perception dual-pathway generalization gap analysis Hurst parameter

MCM-22 zeolite-based system to produce jet fuel from the 1-hexene oligomerization

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Carbon Resources Conversion 2024年第1期7卷 71-78页

作者： Hao Yang Qi zuo xin Ning Jiajun Zheng Wenlin Li Ruifeng Li College of Chemical Engineering and Technology Taiyuan University of TechnologyTaiyuanShanxi 030024China

The oligomerization of light olefins is an alternative for generating clean liquid *** this study,the MCM-22 zeolite featuring a partially disordered layered structure with framework combined 10 membered ring(10 MR)was discussed for 1-hexene ***-22 and Y zeolite were compared to investigate the influences of the framework and acidity strength on the activity and yield in the 1-hexene *** results indicated that the MCM-22 zeolite was an efficient catalyst for oligomerization compared to Y *** MCM-22 zeolite was characterized in detail by NMR,Py-FTIR,and TG *** catalytic performance and deactivation properties of MCM-22 zeolite in the oligomerization reaction of 1-hexene were ***-activity relationships were established through the kinetic *** the density of strong acid sites was essential for the oligomerization of 1-hexene,the presence of low pressure was also necessary for the formation of ***,MCM-22 zeolite demonstrates a substantial improvement in initial conversion and catalyst lifespan for 1-hexene oligomerization.

关键词： Jet fuels Oligomerization Zeolites MCM-22 Reaction order

Cement-inspired readily fabricated water-strengthened polymeric materials

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Science China Chemistry 2024年第10期67卷 3458-3467页

作者： Han zuo Luzhi Zhang Huixia Xuan Shijia Gu xinxin Xu Rasoul Esmaeely Neisiany Qilin Wu Zhengwei You State Key Laboratory for Modification of Chemical Fibers and Polymer Materials Institute of Functional MaterialsCollege of Materials Science and EngineeringDonghua UniversityResearch Base of Textile Materials for Flexible Electronics and Biomedical Applications(China Textile Engineering Society)Shanghai Key Laboratory of Lightweight CompositeShanghai Engineering Research Center of Nano-Biomaterials and Regenerative MedicineShanghai 201620China Zhejiang Hexin Science and Technology Co. Ltd.Jiaxing 314033China Biotechnology Centre Silesian University of TechnologyKrzywoustego 844-100 GliwicePoland Department of Polymer Engineering Hakim Sabzevari UniversitySabzevar ***Iran

Polymeric materials have penetrated all aspects of society and play an irreplaceable ***,there is an inherent contradiction between their mechanical properties and processing ***,inspired by cement,a crucial construction material renowned for its excellent fabricating behavior and self-strengthening properties,we have developed dynamic crosslinked poly(oxime-urethane)(CPOU).The synthesized CPOU showed good self-healing ability and 3D printability owing to the dynamic dissociation and re-association of oxime-carbamate *** objects printed through the fused deposition modeling technique were able to be readily assembled into complex architectures through intrinsic ***,the self-strengthening of CPOU was successfully realized through multiple-step tandem *** dissociation of dynamic oxime-carbamate bonds produced–NCO groups,which reacted with the surrounding water to form polar urea bonds in the polymer network,leading to an increase in the tensile strength of CPOU from 11.95 to 19.37 *** work not only develops the polymers with combined self-healing,facile fabricating,and self-strengthening properties but also provides a new molecular strategy to modulate the properties of polymers,which could be potentially applied in diverse areas.

关键词： dynamic bonds 3D printing self-strengthening self-healing

Mitochondria-specific near-infrared photoactivation of peroxynitrite upconversion luminescent nanogenerator for precision cancer gas therapy

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Acta Pharmaceutica Sinica B 2024年第1期14卷 378-391页

作者： Hui Yu Aliya Tiemuer Xufeng Yao Mingyuan zuo Hai-Yan Wang Yi Liu xiaoyuan Chen Department of Biomedical Engineering School of EngineeringChina Pharmaceutical UniversityNanjing 211198China School of Mechanical Engineering Southeast UniversityNanjing 211189China Departments of Diagnostic Radiology SurgeryChemical and Biomolecular Engineeringand Biomedical EngineeringYong Loo Lin School of Medicine and College of Design and EngineeringNational University of SingaporeSingapore 119074Singapore Clinical Imaging Research Centre Centre for Translational MedicineYong Loo Lin School of MedicineNational University of SingaporeSingapore 117599Singapore Nanomedicine Translational Research Program Yong Loo Lin School of MedicineNational University of SingaporeSingapore 117597Singapore Institute of Molecular and Cell Biology Agency for ScienceTechnologyand Research(A*STAR)ProteosSingapore 138673Singapore

Gas therapy is emerging as a highly promising therapeutic strategy for cancer ***,there are limitations,including the lack of targeted subcellular organelle accuracy and spatiotemporal release precision,associated with gas *** this study,we developed a series of photoactivatable nitric oxide(NO)donors NRh-R-NO(R=Me,Et,Bn,iPr,and Ph)based on an N-nitrosated upconversion luminescent rhodamine *** the irradiation of 808 nm light,only NRh-Ph-NO could effectively release NO and NRh-Ph with a significant turn-on frequency upconversion luminescence(FUCL)signal at 740 nm,ascribed to lower N-N bond dissociation *** also investigated the involved multistage near-infrared-controlled cascade release of gas therapy,including the NO released from NRh-Ph-NO along with one NRh-Ph molecule generation,the superoxide anion O_(2)^(⋅−)produced by the photodynamic therapy(PDT)effect of NRh-Ph,and highly toxic peroxynitrite anion(ONOO‒)generated from the co-existence of NO and O_(2)^(⋅−).After mild nano-modification,the nanogenerator(NRh-Ph-NO NPs)empowered with superior biocompatibility could target *** an 808 nm laser irradiation,NRh-Ph-NO NPs could induce NO/ROS to generate RNS,causing a decrease in the mitochondrial membrane potential and initiating apoptosis by caspase-3 activation,which further induced tumor immunogenic cell death(ICD).In vivo therapeutic results of NRh-Ph-NO NPs showed augmented RNS-potentiated gas therapy,demonstrating excellent biocompatibility and effective tumor inhibition guided by real-time FUCL ***,this versatile strategy defines the targeted RNS-mediated cancer therapy.

关键词： Near infrared Photo-triggered Mitochondrion Upconversion luminescent bioimaging Peroxynitrite Nanogenerator Gas therapy In vivo

Black phosphorus quantum dots induce myocardial inflammatory responses and metabolic disorders in mice

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Journal of Environmental Sciences 2024年第3期137卷 53-64页

作者： Chao Shen xiaoyan Ding Jinpeng Ruan Fengkai Ruan Weiping Hu Jiyi Huang Chengyong He Yi Yu Zhenghong zuo Department of Nephrology State Key Laboratory of Cellular Stress BiologySchool of Life SciencesFaculty of Medicine and Life SciencesFujian Clinical Research Center for Chronic Glomerular DiseaseThe First Affiliated Hospital of Xiamen UniversitySchool of MedicineXiamen UniversityXiamen 361102China

As an ultrasmall derivative of black phosphorus(BP)sheets,BP quantum dots(BP-QDs)have been effectively used in many ***,information on the cardiotoxicity induced by BP-QDs remains *** aimed to evaluate BP-QD-induced cardiac toxicity in *** examination of heart tissue sections was *** sequencing,real-time quantitative PCR(RT–qPCR),western blotting,and enzyme-linked immunosorbent assay(ELISA)assays were used to detect the m RNA and/or protein expression of proinfammatory cytokines,nuclear factor kappa B(NF-κB),phosphatidylinositol3 kinase-protein kinase B(PI3K-AKT),peroxisome proliferator-activated receptor gamma(PPARγ),and glucose/lipid metabolism pathway-related *** found that heart weight and heart/body weight index(HBI)were significantly reduced in mice after intragastric administration of 0.1 or 1 mg/kg BP-QDs for 28 *** addition,obvious infammatory cell infiltration and increased cardiomyocyte diameter were observed in the BP-QD-treated *** expression of proinfammatory cytokines and genes related to the NF-κB signaling pathway further confirmed that BP-QD exposure induced infammatory *** addition,BP-QD treatment also affected the PI3K-AKT,PPARγ,thermogenesis,oxidative phosphorylation,and cardiac muscle contraction signaling *** expression of genes related to glucose/lipid metabolism signaling pathways was dramatically affected by BP-QD exposure,and the effect was primarily mediated by the PPAR signaling *** study provides new insights into the toxicity of BP-QDs to human health.

关键词： BP-QDs Cardiac toxicity Infammatory responses NF-κB signaling pathway PPARγsignaling pathway Glucose/lipid metabolism

Robustness Assessment of Wind Power Generation Considering Rigorous Security Constraints for Power System: A Hybrid RLO-IGDT Approach

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CSEE Journal of Power and Energy Systems 2024年第2期10卷 518-529页

作者： Lianyong zuo Shengshi Wang Yong Sun Shichang Cui Jiakun Fang xiaomeng Ai Baoju Li Chengliang Hao Jinyu Wen State Key Laboratory of Advanced Electromagnetic Technology School of Electrical and Electronic EngineeringHuazhong University of Science and TechnologyWuhan 430073China State Grid Jilin Electric Power Company Changchun 130021China

Fossil fuel depletion and environmental pollution problems promote development of renewable energy(RE)*** increasing penetration of RE,operation security and economy of power systems(PS)are greatly impacted by fluctuation and intermittence of renewable *** this paper,information gap decision theory(IGDT)is adapted to handle uncertainty of wind power *** on conventional IGDT method,linear regulation strategy(LRS)and robust linear optimization(RLO)method are integrated to reformulate the model for rigorously considering security *** a robustness assessment method based on hybrid RLO-IGDT approach is proposed for analyzing robustness and economic performance of ***,a risk-averse linearization method is adapted to convert the proposed assessment model into a mixed integer linear programming(MILP)problem for convenient optimization without robustness ***,results of case studies validate superiority of proposed method in guaranteeing operation security rigorously and effectiveness in assessment of RSR for PS without *** Terms-Hybrid RLO-IGDT approach,information gap decision theory(IGDT),operation security,robustness assessment,robustness security region(RSR).

关键词： IGDT approach information gap decision theory(IGDT) operation security robustness assessment robustness security region(RSR)

Metabolomic Analysis in Saliva and Different Brain Regions of Older Mice with Postoperative Delirium Behaviors

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Biomedical and Environmental Sciences 2024年第2期37卷 133-145页

作者： LIU xiao CAO Ying LIN xiao Wan GAO Dan Yang MIAO Hui Hui LI Tian zuo Department of Anesthesiology Beijing Shijitan HospitalCapital Medical UniversityBeijing 100038China

Objective Postoperative delirium(POD)has become a critical challenge with severe consequences and increased incidences as the global population ***,the underlying mechanism is yet *** study aimed to explore the changes in metabolites in three specific brain regions and saliva of older mice with postoperative delirium behavior and to identify potential non-invasive *** Eighteen-month-old male C57/BL6 mice were randomly assigned to the anesthesia/surgery or control *** tests were conducted 24 h before surgery and 6,9,and 24 h after *** C3(C3)and S100 calcium-binding protein B protein(S100beta)levels were measured in the hippocampus,and a metabolomics analysis was performed on saliva,hippocampus,cortex,and amygdala *** In total,43,33,38,and 14 differential metabolites were detected in the saliva,hippocampus,cortex,and amygdala,respectively.“Pyruvate”“alpha-linolenic acid”and“2-oleoyl-1-palmitoy-snglycero-3-phosphocholine”are enriched in one common pathway and may be potential non-invasive biomarkers for *** changes were observed in the three brain regions,with the upregulation of 1-methylhistidine and downregulation of *** Dysfunctions in energy metabolism,oxidative stress,and neurotransmitter dysregulation are implicated in the development of *** identification of changes in the level of salivary metabolite biomarkers could aid in the development of noninvasive diagnostic methods for POD.

关键词： Metabolomic Postoperative delirium(POD) Mechanism Biological marker