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A multiscale adaptive framework based on convolutional neural network:Application to fluid catalytic cracking product yield prediction

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Petroleum Science 2024年第4期21卷 2849-2869页

作者： Nan Liu chun-meng zhu meng-Xuan Zhang Xing-Ying Lan College of Artificial Intelligence China University of Petroleum(Beijing)Beijing102249China State Key Laboratory of Heavy Oil Processing China University of Petroleum(Beijing)Beijing102249China

Since chemical processes are highly non-linear and multiscale,it is vital to deeply mine the multiscale coupling relationships embedded in the massive process data for the prediction and anomaly tracing of crucial process parameters and production *** the integrated method of adaptive signal decomposition combined with time series models could effectively predict process variables,it does have limitations in capturing the high-frequency detail of the operation state when applied to complex chemical *** light of this,a novel Multiscale Multi-radius Multi-step Convolutional Neural Network(Msrt Net)is proposed for mining spatiotemporal multiscale ***,the industrial data from the Fluid Catalytic Cracking(FCC)process decomposition using Complete Ensemble Empirical Mode Decomposition with Adaptive Noise(CEEMDAN)extract the multi-energy scale information of the feature ***,convolution kernels with varying stride and padding structures are established to decouple the long-period operation process information encapsulated within the multi-energy scale ***,a reconciliation network is trained to reconstruct the multiscale prediction results and obtain the final *** Net is initially assessed for its capability to untangle the spatiotemporal multiscale relationships among variables in the Tennessee Eastman Process(TEP).Subsequently,the performance of Msrt Net is evaluated in predicting product yield for a 2.80×10^(6) t/a FCC unit,taking diesel and gasoline yield as *** conclusion,Msrt Net can decouple and effectively extract spatiotemporal multiscale information from chemical process data and achieve a approximately reduction of 30%in prediction error compared to other time-series ***,its robustness and transferability underscore its promising potential for broader applications.

关键词： Fluid catalytic cracking Product yield Data-driven modeling Multiscale prediction Data decomposition Convolution neural network

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Near-perfect replication on amorphous alloys through active force modulation based on machine learning/neural network parameter prediction

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Science China(Physics,Mechanics & Astronomy) 2025年第1期Mechanics & Astronomy) .卷 181-191页

作者： Senkuan meng Zheng Wang Ruisong zhu Ruijie Liu Jiang Ma Lina Hu Weihua Wang Key Laboratory for Liquid-Solid Structural Evolution and Processing of Materials (Ministry of Education) School of Materials Science and Engineering Shandong University College of Mechatronics and Control Engineering Shenzhen University Songshan Lake Materials Laboratory Institute of Physics Chinese Academy of Sciences

As a microforming technique, micro/nano-structural replication possesses advantages of high precision and efficiency. With the remarkable superplasticity in the supercooled liquid region, amorphous alloys or metallic glasses(MGs) are regarded as ideal materials for miniature fabrication. However, due to the intrinsic metastable nature of supercooled liquids, the design of imprinting processes for MGs poses a challenge. In the past, process parameters have largely relied on trial-and-error *** this work, a low-frequency active force modulation system is employed to apply a stable, precise, and real-time feedback stress field for imprinting of MG samples. Low-frequency vibrations can facilitate the filling of microstructures on the template surface by reducing the effective viscosity of the supercooled liquid. With the dataset composed of orthogonal experiments, a machine learning strategy based on back-propagation(BP) neural networks was utilized to construct a 3D parameter space for temperature, stress, and time, and to predict the corresponding filling ratio. Furthermore, the optimal combination of imprinting process parameters was identified, and its filling ratio was experimentally validated to reach as high as 0.94. The near-perfect replication of microstructures confirms the superiority of the active force modulation system and the data-driven strategy of machine learning-assisted parameter design. At the same time, this one-step microforming process provides a new approach to addressing the accuracy-cost trade-off dilemma in precision manufacturing.

关键词： metallic glass amorphous alloy microforming imprinting machine learning

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Dip2a regulates stress susceptibility in the basolateral amygdala

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Neural Regeneration Research 2025年第6期20卷 1735-1748页

作者： Jing Li Zixuan He Weitai Chai meng Tian Huali Yu Xiaoxiao He Xiaojuan zhu Key Laboratory of Molecular Epigenetics Ministry of Education Institute of Genetics and CytologyNortheast Normal UniversityChangchunJilin ProvinceChina

Dysregulation of neurotransmitter metabolism in the central nervous system contributes to mood disorders such as depression, anxiety, and post–traumatic stress disorder. Monoamines and amino acids are important types of neurotransmitters. Our previous results have shown that disco-interacting protein 2 homolog A(Dip2a) knockout mice exhibit brain development disorders and abnormal amino acid metabolism in serum. This suggests that DIP2A is involved in the metabolism of amino acid–associated neurotransmitters. Therefore, we performed targeted neurotransmitter metabolomics analysis and found that Dip2a deficiency caused abnormal metabolism of tryptophan and thyroxine in the basolateral amygdala and medial prefrontal cortex. In addition, acute restraint stress induced a decrease in 5-hydroxytryptamine in the basolateral amygdala. Additionally, Dip2a was abundantly expressed in excitatory neurons of the basolateral amygdala, and deletion of Dip2a in these neurons resulted in hopelessness-like behavior in the tail suspension test. Altogether, these findings demonstrate that DIP2A in the basolateral amygdala may be involved in the regulation of stress susceptibility. This provides critical evidence implicating a role of DIP2A in affective disorders.

关键词： 5-hydroxytryptamine acute restraint stress basolateral amygdala CaMKII neurons DIP2A metabolomics neurotransmitters principal component analysis stress susceptibility tryptophan

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Deciphering Water Oxidation Catalysts:The Dominant Role of Surface Chemistry over Reconstruction Degree in Activity Promotion

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Nano-Micro Letters 2025年第3期17卷 340-354页

作者： Li An Jianyi Li Yuanmiao Sun Jiamin zhu Justin zhu Yeow Seow Hong Zhang Nan Zhang Pinxian Xi * Zhichuan JXu chun‑Hua Yan State Key Laboratory of Applied Organic Chemistry Key Laboratory of Nonferrous Metal Chemistry and Resources Utilization of Gansu ProvinceFrontiers Science Center for Rare IsotopesCollege of Chemistry and Chemical EngineeringLanzhou UniversityLanzhou 730000People’s Republic of China School of Materials Science and Engineering Nanyang Technological UniversitySingapore 639798Singapore Faculty of Materials Science and Energy Engineering Institute of Technology for Carbon NeutralityShenzhen Institute of Advanced TechnologyChinese Academy of SciencesShenzhen 518055People’s Republic of China Key Laboratory of Electromagnetic Materials and Devices National Center for International Research On Photoelectric and Energy MaterialsSchool of Materials and EnergyElectron Microscopy CenterYunnan UniversityKunming 650091People’s Republic of China State Key Laboratory of Baiyunobo Rare Earth Resource Researches and Comprehensive Utilization Baotou Research Institute of Rare EarthsBaotou 014030People’s Republic of China Beijing National Laboratory for Molecular Sciences State Key Laboratory of Rare Earth Materials Chemistry and ApplicationsPKU‑HKU Joint Laboratory in Rare Earth Materials and Bioinorganic ChemistryPeking UniversityBeijing 100871People’s Republic of China

Water splitting hinges crucially on the availability of electrocatalysts for the oxygen evolution *** surface reconstruction has been widely observed in perovskite catalysts,and the reconstruction degree has been often correlated with the activity ***,a systematic study on the roles of Fe substitution in activation of perovskite LaNiO_(3)is *** substituting Fe content influences both current change tendency and surface reconstruction ***_(0.9)Fe_(0.1)O_(3)is found exhibiting a volcano-peak intrinsic activity in both pristine and reconstructed among all substituted perovskites in the LaNi_(1-x)Fe_(x)O_(3)(x=0.00,0.10,0.25,0.50,0.75,1.00)*** reconstructed LaNi_(0.9)Fe_(0.1)O_(3)shows a higher intrinsic activity than most reported NiFe-based ***,density functional theory calculations reveal that Fe substitution can lower the O 2p level,which thus stabilize lattice oxygen in LaNi0.9Fe0.1O3 and ensure its long-term ***,it is vital interesting that activity of the reconstructed catalysts relied more on the surface chemistry rather than the reconstruction *** effect of Fe on the degree of surface reconstruction of the perovskite is decoupled from that on its activity enhancement after surface *** finding showcases the importance to customize the surface chemistry of reconstructed catalysts for water oxidation.

关键词： Oxygen evolution reaction Perovskite oxides Doping Activation and reconstruction

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钕玻璃片状放大器玻璃腔的概念设计

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光子学报 2016年第11期45卷 124-129页

作者：江梦春朱健强刘志刚王利中国科学院上海光学精密机械研究所高功率激光物理重点实验室上海201800 中国科学院大学北京100049

针对片状放大器片腔的洁净度问题,提出一种钕玻璃片状放大器玻璃腔的设计方案.选用滤紫外石英玻璃作为主框架的材料,对玻璃腔的结构和密封方案进行设计,并利用玻璃腔外表面镀金属材料的方式进行遮光.采用神光Ⅱ升级主放和100片状放大... 详细信息

针对片状放大器片腔的洁净度问题,提出一种钕玻璃片状放大器玻璃腔的设计方案.选用滤紫外石英玻璃作为主框架的材料,对玻璃腔的结构和密封方案进行设计,并利用玻璃腔外表面镀金属材料的方式进行遮光.采用神光Ⅱ升级主放和100片状放大器进行不同腔体的洁净度对比试验,结果表明玻璃腔的洁净度较不锈钢腔提高了近70%.运用光学高级系统分析程序对玻璃腔进行光线追迹,其钕玻璃泵浦比例提高了8.84%.该方案不仅能减少腔内气溶胶的产生,还能提高钕玻璃泵浦比例.

关键词：激光器高功率固体激光驱动器片状放大器结构设计气溶胶

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New insight into the origin and evolution of the flora and fauna of Hainan Island, China

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Science China Earth Sciences 2025年第1期68卷 52-61页

作者： Hua zhu Center for Integrative Conservation Xishuangbanna Tropical Botanical Garden Chinese Academy of Sciences Yunnan International Joint Laboratory of Southeast Asia Biodiversity Conservation Yunnan Key Laboratory for the Conservation of Tropical Rainforests and Asian Elephants

The origin of the biota of Hainan Island, China, remains a fundamental scientific problem. Comparative studies on the biota, geological tectonics, and paleomagnetism proposed that during the Eocene, Hainan Island connected Vietnam and Guangxi, and then moved to the southeast to reach its present location. This review mainly discusses its biota origin from molecular phylogeny and palaeobotanical research. The formation and evolution of the biological groups of Hainan Island were identified via research on their genomes, phylogeny, and molecular biogeography. This research showed that the genera and species that appeared and diverged early in their evolution(i.e., before the Miocene) can be explained by the land connection between Hainan Island, Vietnam, and Guangxi during the Eocene-Oligocene. According to Southeast Asian tectonic theory, in the Middle Miocene(at about 15 million years ago), Hainan Island had moved to its present position. The population and genetic divergence of species with late divergence times(after 15 Ma) can be reasonably explained by the close proximity(or land connection) between Hainan Island and the Leizhou Peninsula, enabling genetic communication between Hainan Island and the Chinese mainland, but have exceptional cases. Conclusions have been obtained through palaeobotanical studies, showing that in the Eocene-Oligocene period, southwest China and Hainan Island had subtropical vegetation and flora. However, the fossil group in southeast China(in Maoming, near present-day Hainan Island) in the Late Eocene indicated a tropical rainforest vegetation and flora. This suggests that in the Paleogene, Hainan Island may have been located near or on the southwest border of Guangxi and northern Vietnam, rather than in its present location. The floristic division of the flora of Hainan Island basically presents a northeast-southwest inclined distribution pattern. This pattern can be explained by the counterclockwise rotation of Hainan Island during i

关键词： Molecular phylogeny Biogeography Paleobotany Origin of flora and fauna Hainan Island of China

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Aligning enhanced feature representation for generalized zero-shot learning

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Science China(Information Sciences) 2025年

作者： Zhiyu FANG Xiaobin zhu chun YANG Hongyang ZHOU Jingyan QIN Xucheng YIN School of Computer&Communication Engineering University of Science and Technology Beijing

Abstract Constructing an effective common latent embedding by aligning the latent spaces of cross-modal variational autoencoders （VAEs） is a popular strategy for generalized zero-shot learning （GZSL）.However,due to the lack of fine-grained instance-wise annotations,existing VAE methods can easily suffer from the posterior collapse *** this paper,we propose an innovative asymmetric VAE network by aligning enhanced feature representation （AEFR） for *** from general VAE structures,we designed two asymmetric encoders for visual and semantic observations and one decoder for visual ***,we propose a simple yet effective gated attention mechanism （GAM） in the visual encoder for enhancing the information interaction between observations and latent variables,alleviating the possible posterior collapse problem *** addition,we propose a novel distributional decoupling-based contrastive learning （D2-CL） to guide learning classification-relevant information while aligning the representations at the taxonomy level in the latent representation *** experiments on publicly available datasets demonstrate the state-of-the-art performance of our *** source code is available at https://***/seeyourmind/AEFR.

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Bifunctional bridging capping layer enables 24.5% efficiency of perovskite solar cells with polymer-based hole transport materials

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Science China Chemistry 2025年第1期68卷 350-359页

作者： Can zhu Yiyang Wang Lei meng Beibei Qiu Jing Li Shucheng Qin Ke Hu Xin Jiang Wenbin Lai Minchao Liu Zhe Liu Chenxing Lu Jinyuan Zhang Yongfang Li Beijing National Laboratory for Molecular Sciences CAS Key Laboratory of Organic Solids Institute of Chemistry Chinese Academy of Sciences School of Chemical Science University of Chinese Academy of Sciences Key Laboratory of Solid State Optoelectronic Devices of Zhejiang Province College of Physics and Electronic Information Engineering Zhejiang Normal University Key Laboratory of Photochemical Conversion and Optoelectronic Materials Technical Institute of Physics and ChemistryChinese Academy of Sciences Laboratory of Advanced Optoelectronic Materials College of Chemistry Chemical Engineering and Materials ScienceSoochow University

Developing a bridge capping layer between perovskite and hole transport layer materials（HTMs） in the n-i-p perovskite solar cells（pero-SCs） is an effective approach to modify the morphology of HTMs and passivate the perovskite ***, we select the quinoxaline-based bifunctional passivation agent, quinoxalin-6-yl-methylamine hydrochloride（Qx MACl）,as the bridging layer, and a D-A copolymer PBQ12 containing the same quinoxaline unit as an HTM for the n-i-p pero-SCs. Due to the π-π stacking among the common quinoxaline units in the bridge layer and HTM, Qx MACl induces the π-π stacking of the PBQ12 film and improves the film morphology of HTMs with better conductivity. Additionally, Qx MACl can effectively passivate the perovskite surface, and PBQ12 possesses appropriate energy levels and high hole mobility. The pero-SCs based on FAPbI3with PBQ12/Qx MACl treatment showed a higher power conversion efficiency（PCE） of 24.05% and outstanding stability, maintaining 95.4% and 92.1% of its initial PCE after 750 h of storage and after over 800 h of thermal annealing at 85 °C, respectively. To further enhance the PCE of the PBQ12/Qx MACl-based devices, we developed a non-metal ion dopant for the PBQ12 HTM. Through trace doping of PBQ12 HTM by the non-metal ion dopant, the PCE of the PBQ12/Qx MACl-based devices reached 25.24%（the calibrated PCE of 24.55% by the National Institute of Metrology, China）.

关键词： D-A copolymer, hole transport materials, bifunctional bridge capping layer, passivation perovskite solar cells

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Modification of Maxwell model for conductivity prediction of carbon nanotubes-filled polymer composites with tunneling effect

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Applied Mathematics and Mechanics(English Edition) 2025年第1期46卷 25-36页

作者： Jue zhu Longyuan LI Ningtao zhu Zhejiang Provincial Engineering Research Center for the Safety of Pressure Vessel and Pipeline Key Laboratory of Impact and Safety Engineering (Ningbo University) Ministry of Education School of Engineering Computing and Mathematics University of Plymouth Xi'an Zhanshi Testing & Engineering Co.Ltd.

Carbon nanotubes(CNTs) have garnered great attention in recent years due to their outstanding electrical, thermal, and mechanical properties. The incorporation of small amounts of CNTs in polymers can substantially improve the sensitivity of the polymer's electrical conductivity. This paper presents a modified Maxwell model to evaluate the electrical conductivity of CNTs-filled polymer composites by introducing a transition zone to account for the tunneling effect. In this modified Maxwell model, the CNTs-filled polymer composite is modeled as a three-phase composite, consisting of a matrix(polymer), inclusions(CNTs), and a transition zone(tunneling zone). The effective electrical conductivity(EEC) of the composite is calculated based on the volume fractions and electrical conductivities of the matrix, inclusions, and transition zone. The model's validity is confirmed through the use of available test data, which demonstrates its capability to accurately capture the nonlinear conductivity behavior observed in CNTs-polymer composites. This study offers valuable insights into the design of high-performance conductive polymer nanocomposites, and enhances the understanding of electrical conduction mechanisms in CNT-dispersed polymer composites.

关键词： Nanoclay

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Chiral phosphoramidite ligand-modulated palladium auto-tandem catalysis for asymmetric dehydrogenative dienylation of imines with α-alkenes

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Science China Chemistry 2025年

作者： Zhong-Sheng Nong Hao-Fan Qian Ying-chun Chen Pu-Sheng Wang Liu-zhu Gong Hefei National Research Center for Physical Sciences at the Microscale and Department of Chemistry University of Science and Technology of China Key Laboratory of Drug Targeting and Drug Delivery System (Sichuan University) Ministry of Education and Sichuan Research Center for Drug Precision Industrial Technology West China School of Pharmacy Sichuan University School of Materials and Chemistry Southwest University of Science and Technology

The development of efficient processes allowing rapid access to complex chiral molecules from easily available alkenes is a long-term pursuit in the synthetic chemistry community. Transition metal-catalyzed asymmetric functionalization of allylic C–H bond represents a unique alternative toward this goal. However, enantioselective dehydrogenative transformation of olefins to value-added optically enriched molecules remains yet to be discovered. Here, we report a highly enantioselective dehydrogenative dienylation of imines with unactivated α-alkenes driven by the synergistic action of palladium complex and carboxylic acid. Chiral phosphoramidite ligands turned out to be superior in modulating the performance of palladium autotandem catalysis and allowed a broad range of α-alkenes and imines to be transformed into chiral dienylamines. Mechanistic studies suggest that the dienes could be in situ generated from α-alkenes through a palladium(0)-mediated dehydrogenative process in the presence of excess benzoquinone oxidants, and then participated in the Pd-chiral phosphoramidite-catalyzed intermolecular vinylogous-type addition to the imines activated by the carboxylic acid co-catalyst. Notably, the second β-H elimination occurring in the dienylation event might be the turnover-limiting step.

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