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Antiferromagnetic insulating state in quasi-one-dimensional K_(2)Cr_(3)As_(3)H

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Science China(Physics,Mechanics & Astronomy) 2023年第3期66卷 139-146页

作者： bai-zhuo li Si-Qi Wu Jin-Jin Xiang Qin-Qing Zhu Yi liu Chao Cao Guang-Han Cao School of Physics Zhejiang UniversityHangzhou 310030China School of Science Westlake Institute for Advanced StudyWestlake UniversityHangzhou 310064China Department of Applied Physics Zhejiang University of TechnologyHangzhou 310023China Center for Correlated Matter Zhejiang UniversityHangzhou 310030China Zhejiang Province Key Laboratory of Quantum Technology and Devices Interdisciplinary Center for Quantum InformationState Key Lab of Silicon MaterialsZhejiang UniversityHangzhou 310030China

Quasi-one-dimensional(Q1D) Cr-based pnictide K_(2)Cr_(3)As_(3)exhibits superconductivity probably with spin-triplet pairing. It is of fundamental importance to explore the parent compound from which superconductivity emerges. Here we report the synthesis,crystal structure, physical properties, and density functional theory(DFT) calculations of(nearly) fully hydrogenized K_(2)Cr_(3)As_(3)*** is found that the intercalation of hydrogen in K_(2)Cr_(3)As_(3)leads to absence of metallicity as well as superconductivity. An antiferromagnetic transition nearby room temperature is evidenced from the measurements of magnetic susceptibility and heat *** antiferromagnetic insulating state can be reproduced by the DFT calculations, which show a novel non-collinear co-planar magnetic order. Our result sheds light on the mechanism of unconventional superconductivity in Q1D Cr-based superconductors.

关键词： quasi-one-dimensional Cr-based superconductor antiferromagnetism DFT calculations

High-throughput screening of CO_(2) cycloaddition MOF catalyst with an explainable machine learning model

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Green Energy & Environment 2025年第1期10卷 132-138页

作者： Xuefeng bai Yi li Yabo Xie Qiancheng Chen Xin Zhang Jian-Rong li Beijing Key Laboratory for Green Catalysis and Separation and Department of Chemical Engineering College of Materials Science&EngineeringBeijing University of TechnologyBeijing100124China

The high porosity and tunable chemical functionality of metal-organic frameworks(MOFs)make it a promising catalyst design ***-throughput screening of catalytic performance is feasible since the large MOF structure database is *** this study,we report a machine learning model for high-throughput screening of MOF catalysts for the CO_(2) cycloaddition *** descriptors for model training were judiciously chosen according to the reaction mechanism,which leads to high accuracy up to 97%for the 75%quantile of the training set as the classification *** feature contribution was further evaluated with SHAP and PDP analysis to provide a certain physical understanding.12,415 hypothetical MOF structures and 100 reported MOFs were evaluated under 100℃ and 1 bar within one day using the model,and 239 potentially efficient catalysts were *** them,MOF-76(Y)achieved the top performance experimentally among reported MOFs,in good agreement with the prediction.

关键词： Metal-organic frameworks High-throughput screening Machine learning Explainable model CO_(2)cycloaddition

Deciphering the role of mtH2O2 in hepatic ischemia-reperfusion injury mechanisms with low-background super-resolution fluorogenic probe

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Science China Chemistry 2025年第1期68卷 297-307页

作者： Bin Fang limin Wang Haoqin li Jiaxin Zhang Yang Ding Pan Pan li Bo Peng Hua bai lin li Frontiers Science Center for Flexible Electronics Xi'an Institute of Flexible Electronics (IFE) and Xi'an Institute of Biomedical Materials &Engineering Northwestern Polytechnical University Institute of Flexible Electronics (IFE Future Technologies) Xiamen University

Hepatic ischemia-reperfusion injury（HIRI） is characterized by mitochondrial dysfunction and oxidative stress. Monitoring mitochondrial hydrogen peroxide（mtH2O2） levels in real-time through super-resolution imaging is crucial for elucidating its distribution in live cells and its mechanism of action during HIRI. However, low-background fluorogenic probes have been overlooked in the context of super-resolution imaging. In this study, we developed a low-background fluorogenic probe（MitoWG） with the potential for super-resolution morphology-correlated mitochondrial identification to track the fluctuates of mtH2O2in HIRI. Activation of the desirable fluorescence properties of the probe by mtH2O2was confirmed using structural illumination microscopy（SIM）, enabling high-quality mitochondrial imaging with exceptional specificity and *** in mtH2O2levels were successfully observed in both cellular and rat models of HIRI. Furthermore, we associated the decline in mitochondrial redox homeostasis with accelerated mtH2O2production during HIRI, which triggered mitophagy deficiency and led to cell death. In conclusion, Mito-WG possesses excellent photophysical and low-background properties for SIM imaging, making it a promising tool for mtH2O2tracking in HIRI research and clinical diagnosis.

关键词： hepatic ischemia-reperfusion injury low-background mtH2O2-activatable super-resolution imaging fluorogenic probe

青藏块体东北缘跨断层异常场地比指标及其在地震预测中的应用

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地震 2020年第2期40卷 71-81页

作者：李瑞莎张希贾鹏白卓立中国地震局第二监测中心陕西西安710054

为了客观反映跨断层形变资料在地震前出现的异常程度,减弱场地布设不均匀性造成的影响,本文基于以往典型震例归纳跨断层异常场地比指标并进行了实例检验。结果表明:①震例统计显示,异常场地比随震中距增加快速降低,在青藏块体东北缘5.8... 详细信息

为了客观反映跨断层形变资料在地震前出现的异常程度,减弱场地布设不均匀性造成的影响,本文基于以往典型震例归纳跨断层异常场地比指标并进行了实例检验。结果表明:①震例统计显示,异常场地比随震中距增加快速降低,在青藏块体东北缘5.8级及以上中强地震前,距震中200 km范围异常场地比约为0.5。②异常场地比等值线高值区对地震震中位置有较好的指示意义,可以作为中强地震预测的一种定量判定依据,为区域地震危险性的地点判定提供支持。③多期异常场地比空间分布特征能够较好地刻画跨断层异常随时间的增强、减弱或迁移特征,可为地震紧迫性判定提供一定帮助。

关键词：跨断层异常场地比青藏块体东北缘 2016年门源6.4级地震 2017年九寨沟7.0级地震

Boosting bidirectional sulfur conversion enabled by introducing boron-doped atoms and phosphorus vacancies in Ni2P for lithium-sulfur batteries

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Journal of Energy Chemistry 2025年第1期100卷 760-769页

作者： lin Peng Yu bai Hang li Meixiu Qu Zhenhua Wang Kening Sun Advanced Research Institute of Multidisciplinary Science Beijing Institute of Technology Beijing Key Laboratory of Chemical Power Source and Green Catalysis School of Chemistry and Chemical Engineering Beijing Institute of Technology

lithium-sulfur （li-S） batteries have gained great attention due to the high theoretical energy density and low cost,yet their further commercialization has been obstructed by the notorious shuttle effect and sluggish redox ***,we supply a strategy to optimize the electron structure of Ni2P by concurrently introducing B-doped atoms and P vacancies in Ni2P （Vp-B-Ni2P）,thereby enhancing the bidirectional sulfur *** study indicates that the simultaneous introduction of B-doped atoms and P vacancies in Ni2P causes the redistribution of electron around Ni atoms,bringing about the upward shift of d-band center of Ni atoms and effective d-p orbital hybridization between Ni atoms and sulfur species,thus strengthening the chemical anchoring for lithium polysulfides （liPSs） as well as expediting the bidirectional conversion kinetics of sulfur ***,theoretical calculations reveal that the incorporation of B-doped atoms and P vacancies in Ni2P selectively promotes li2S dissolution and nucleation ***,the li-S batteries with Vp-B-Ni2P-separators present outstanding rate ability of 777 m A h g-1at 5 C and high areal capacity of 8.03 mA h cm-2under E/S of 5μL mg-1and sulfur loading of 7.20 mg *** work elucidates that introducing heteroatom and vacancy in metal phosphide collaboratively regulates the electron structure to accelerate bidirectional sulfur conversion.

关键词： lithium sulfur batteries

Hypidone hydrochloride(YL-0919)ameliorates functional deficits after traumatic brain injury in mice by activating the sigma-1 receptor for antioxidation

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Neural Regeneration Research 2025年第8期20卷 2325-2336页

作者： Yafan bai Hui Ma Yue Zhang Jinfeng li Xiaojuan Hou Yixin Yang Guyan Wang Yunfeng li Department of Anesthesiology Beijing Tongren HospitalCapital Medical UniversityBeijingChina Beijing Institute of Basic Medical Sciences BeijingChina Hebei North University ZhangjiakouHebei ProvinceChina Beijing Institute of Pharmacology and Toxicology State Key Laboratory of Toxicology and Medical CountermeasuresBeijing Key Laboratory of NeuropsychopharmacologyBeijingChina

Traumatic brain injury involves complex pathophysiological mechanisms,among which oxidative stress significantly contributes to the occurrence of secondary *** this study,we evaluated hypidone hydrochloride(YL-0919),a self-developed antidepressant with selective sigma-1 receptor agonist properties,and its associated mechanisms and targets in traumatic brain *** experiments to assess functional deficits were followed by assessment of neuronal damage through histological analyses and examination of blood-brain barrier permeability and brain ***,we investigated the antioxidative effects of YL-0919 by assessing the levels of traditional markers of oxidative stress in vivo in mice and in vitro in HT22 ***,the targeted action of YL-0919 was verified by employing a sigma-1 receptor antagonist(BD-1047).Our findings demonstrated that YL-0919 markedly improved deficits in motor function and spatial cognition on day 3 post traumatic brain injury,while also decreasing neuronal mortality and reversing blood-brain barrier disruption and brain ***,YL-0919 effectively combated oxidative stress both in vivo and in *** protective effects of YL-0919 were partially inhibited by *** results indicated that YL-0919 relieved impairments in motor and spatial cognition by restraining oxidative stress,a neuroprotective effect that was partially reversed by the sigma-1 receptor antagonist ***-0919 may have potential as a new treatment for traumatic brain injury.

关键词： antidepressant drug blood-brain barrier cognitive function hypidone hydrochloride(YL-0919) neurological function nuclear factor-erythroid 2 related factor 2 oxidative stress sigma-1 receptor superoxide dismutase traumatic brain injury

Synergistic effect of bonding heterogeneity and phonon localization in introducing excellent thermoelectric properties in layered heteroanionic NdZnSbO material

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Journal of Energy Chemistry 2025年第1期100卷 259-272页

作者： Da Wan Shuwei Tang Shulin bai Xiaodong li Peng Ai Wanrong Guo Tuo Zheng College of Materials Science and Engineering Liaoning Technical University Faculty of Chemistry Northeast Normal University

Layered rare-earth metal oxides, harnessing the dual properties of oxides and two-dimensional layered materials, exhibit remarkable thermal stability and quantum confinement effects. Therefore, this work adopts the first-principles calculation combined with the Boltzmann transport theory to predict the thermoelectric properties of NdZnSbO compound. The coexistence of weak interlayer van der Waals interactions, robust intralayer ionic bonding, and partial covalent bonding leads to remarkable bonding heterogeneity, which engenders pronounced phonon scattering and imposes constraints on thermal transport along the out-of-plane direction. The weakened chemical bonds induced by the antibonding states, together with the rattling-like behavior of the Zn atom, culminate in the profound anharmonicity in the layered NdZnSbO compound. The weakening bond and heavy element contribute to the softness of phonon modes, which significantly diminishes the phonon group velocity. The redistribution-dominated four-phonon scattering process spans a large optical gap, which effectively reduces the lattice thermal conductivity. The NdZnSbO compound exhibits direct semiconductor characteristic with a bandgap of 0.73 e V by adopting the Heyd-Scuseria-Ernzerhof(HSE06) functional in combination with spin–orbit coupling(SOC) effect. The multi-valley feature of NdZnSbO compound augur favorably for band degeneracy, thus amplifying the power factor. Consequently, an optimal figure-of-merit(ZT) of 3.40 at 900 K is achieved for the n-type NdZnSbO compound. The present study delves deeply insights into the origins for the low thermal conductivity of NdZnSbO compound and proposes an optimization scheme to enhance overall thermoelectric performance.

关键词： Bond strength (chemical)

Perilipin-2 mediates ferroptosis in oligodendrocyte progenitor cells and myelin injury after ischemic stroke

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Neural Regeneration Research 2025年第7期20卷 2015-2028页

作者： Jian Yang Jiang Wu Xueshun Xie Pengfei Xia Jinxin Lu Jiale liu Lei bai Xiang li Zhengquan Yu Haiying li Department of Neurosurgery&Brain and Nerve Research Laboratory The First Affiliated Hospital of Soochow UniversitySuzhouJiangsu ProvinceChina Institute of Stroke Research Soochow UniversitySuzhouJiangsu ProvinceChina

Differentiation of oligodendrocyte progenitor cells into mature myelin-forming oligodendrocytes contributes to *** of remyelination due to oligodendrocyte progenitor cell death can result in severe nerve *** is an iron-dependent form of regulated cell death caused by membrane rupture induced by lipid peroxidation,and plays an important role in the pathological process of ischemic ***,there are few studies on oligodendrocyte progenitor cell *** analyzed transcriptome sequencing data from GEO databases and identified a role of ferroptosis in oligodendrocyte progenitor cell death and myelin injury after cerebral *** analysis suggested that perilipin-2(PliN2)was involved in oligodendrocyte progenitor cell ***2 is a lipid storage protein and a marker of hypoxia-sensitive lipid droplet *** further investigation,we established a mouse model of cerebral ischemia/*** found significant myelin damage after cerebral ischemia,as well as oligodendrocyte progenitor cell death and increased lipid peroxidation levels around the infarct *** ferroptosis inhibitor,ferrostatin-1,rescued oligodendrocyte progenitor cell death and subsequent myelin *** also found increased PliN2 levels in the peri-infarct area that co-localized with oligodendrocyte progenitor ***2 knockdown rescued demyelination and improved neurological *** findings suggest that targeting PliN2 to regulate oligodendrocyte progenitor cell ferroptosis may be a potential therapeutic strategy for rescuing myelin damage after cerebral ischemia.

关键词： bioinformatics bulk RNA sequencing ferroptosis ischemic stroke myelin injury oligodendrocyte progenitor cell perilipin-2 single-cell RNA sequencing

Boosting Photocatalytic Performance of Cu-Mn Co-doped CeO_(2) Nanoparticles for Tetracycline Degradation

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Journal of Wuhan University of Technology(Materials Science) 2025年第1期40卷 42-48页

作者： XU Rongqi MI Jianxin WANG Shulin XU Man ZHU li bai Lei TANG Dandan LEI Yu Engineering Research Center of Environmental Materials and Membrane Technology of Hubei Province School of Materials Science and EngineeringWuhan Institute of TechnologyWuhan 430205China Shaanxi Coal Chemical Industry Technology Research Institute Co. Ltd.Xi’an 710100China

Cu-Mn co-doped CeO_(2) photocatalyst was successfully synthesized by the sol-gel method to assess its capability in degrading *** and TEM results showed that Cu and Mn were successfully co-doped into CeO_(2) without forming heterostructure,XPS and photoelectrochemical results revealed that Mn ions doping amplified the generation of photo-induced charge carriers,while Cu ions doping significantly facilitated the interfacial charge transfer ***,the optimized Cu3Mn2CeO_(2) nanoparticles exhibited the highest TC removal efficiency,achieved a rate of 78.18%and maintained a stable cycling performance.

关键词： photocatalyst co-doped charge separation water treatment