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Structural,electronic,and magnetic properties of vanadium atom-adsorbed MoSe2 monolayer

Chinese Physics B 2017年第2期26卷 392-398页

作者： Ping Llu Zhen-Zhen Qin yun-liang yue Xu Zuo College of Electronic Information and Optical Engineering Nankai University Tianjin 300071 China

Using the first-principles calculations, we study the structural, electronic, and magnetic properties of vanadium adsorbed MoSe_2 monolayer, and the magnetic couplings between the V adatoms at different adsorption concentrations. The calculations show that the V atom is chemically adsorbed on the MoSe_2 monolayer and prefers the location on the top of an Mo atom surrounded by three nearest-neighbor Se atoms. The interatomic electron transfer from the V to the nearestneighbor Se results in the polarized covalent bond with weak covalency, associated with the hybridizations of V with Se and Mo. The V adatom induces local impurity states in the middle of the band gap of pristine MoSe_2, and the peak of density of states right below the Fermi energy is associated with the V- dz^2 orbital. A single V adatom induces a magnetic moment of 5 μBthat mainly distributes on the V-3d and Mo-4d orbitals. The V adatom is in high-spin state, and its local magnetic moment is associated with the mid-gap impurity states that are mainly from the V-3d orbitals. In addition,the crystal field squashes a part of the V-4s electrons into the V-3d orbitals, which enhances the local magnetic *** magnetic ground states at different adsorption concentrations are calculated by generalized gradient approximations（GGA） and GGA＋U with enhanced electron localization. In addition, the exchange integrals between the nearest-neighbor V adatoms at different adsorption concentrations are calculated by fitting the first-principle total energies of ferromagnetic（FM） and antiferromagnetic（AFM） states to the Heisenberg model. The calculations with GGA show that there is a transition from ferromagnetic to antiferromagnetic ground state with increasing the distance between the V adatoms. We propose an exchange mechanism based on the on-site exchange on Mo and the hybridization between Mo and V, to explain the strong ferromagnetic coupling at a short distance between the V adatoms. However, the ferromagneti

关键词： V-adatom MoSe2 monolayer magnetic moment magnetic coupling first-principles calculation

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Effect　of　methylflavonolamine　on　acute　forebrain　is　chemiare　perfusion　in　juryin rat

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中国药理学与毒理学杂志 1996年第2期 10-13页

作者： DUAN Wen-Zhen 1, TANG yun-Zhao, liang yue-Qin, DUN Wen (Department of Pharmacology, Shanxi Medical College, Taiyuan 030001)

用Ｐｕｌｓｉｎｅｌｉ法造成大鼠急性前脑缺血４０ｍｉｎ，然后开夹再灌注１ｈ．在缺血前５ｍｉｎ，再灌前５ｍｉｎ以及再灌３０ｍｉｎ时分别ｉｖ甲基黄酮醇胺（ＭＦＡ）１０和２０ｍｇ·ｋｇ－１．结果表明：ＭＦＡ的两个剂量组均可降... 详细信息

用Ｐｕｌｓｉｎｅｌｉ法造成大鼠急性前脑缺血４０ｍｉｎ，然后开夹再灌注１ｈ．在缺血前５ｍｉｎ，再灌前５ｍｉｎ以及再灌３０ｍｉｎ时分别ｉｖ甲基黄酮醇胺（ＭＦＡ）１０和２０ｍｇ·ｋｇ－１．结果表明：ＭＦＡ的两个剂量组均可降低再灌注引起的脑钙含量增加，减轻脑水肿，抑制脂质过氧化物丙二醛生成，并缓解脑组织中乳酸脱氢酶的释放；同时明显改善脑电图，减轻大脑锥体细胞的变性坏死．提示：ＭＦＡ对大鼠急性脑缺血再灌注损伤有保护作用，其作用可能是通过降低钙在脑组织病理性累积，从而抑制进一步的脂质过氧化等病理生理变化实现的．

关键词：脑缺血再灌注损伤钙甲基黄酮醇胺脑电描记术

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Sky location of massive black hole binaries in the foreground of Galactic white dwarf binaries

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Science China(Physics,Mechanics & Astronomy) 2025年第1期68卷 93-104页

作者： Pan Guo Hong-Bo Jin Cong-Feng Qiao yue-liang Wu The International Centre for Theoretical Physics Asia-Pacific University of Chinese Academy of SciencesBeijing 100190China Institute for Frontiers in Astronomy and Astrophysics Beijing Normal UniversityBeijing 102206China National Astronomical Observatories Chinese Academy of SciencesBeijing 100101China The School of Physical Sciences University of Chinese Academy of SciencesBeijing 100049China Institute of Theoretical Physics Chinese Academy of SciencesBeijing 100190China

For space-based gravitational wave(GW)detection,the main noise source for massive black hole binaries(MBHBs)is attributed to approximately 107 double white dwarf binaries in the *** a GW source,the amplitude of the detector response,recorded by a space-based gravitational wave detector,exhibits a modulation effect with a year period when observing the source from various orbital *** the adverse conditions mentioned above,where there is a strong foreground noise and annual modulation in the signals,we employed the wavelet transform and the strong-amplitude relevant orbital position search methods,which allows the weak MBHB sources to achieve higher locating *** detail,for two MBHB sources of lower intensity,the precision of luminosity distance,represented by the ratioΔD_(L)/D_(L) at the 95%confidence level,is enhanced by factors of∼*** angular resolutions,denoted byΔΩs,are enhanced by a factor of∼*** improvements increase the number of detectable GW sources,facilitate multi-messenger follow-up observations and provide constraints on the cosmological constant.

关键词： space-based gravitational wave detection gravitational waves massive black hole binaries

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Dual Control of Macrolithotype and Coal Structure on the Pore Parameters of Middle Jurassic Coals in the Southern Junggar Basin,NW China

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Acta Geologica Sinica(English Edition) 2025年第1期99卷 194-211页

作者： HOU Haihai liang Guodong SHAO Longyi TANG yue YAN Zhifeng College of Mining Liaoning Technical UniversityFuxinLiaoning 123000China College of Geoscience and Surveying Engineering China University of Mining and TechnologyBeijing 100083China Oil&Gas Resource Survey Center China Geological SurveyMinistry of Natural ResourcesBeijing 100029China

Coal pore parameters are closely related to macrolithotypes and coal structures,having a large influence over the gas potential and productivity of coalbed methane(CBM).The Middle Jurassic Xishanyao Formation,located in the southern Junggar Basin of northwestern China,has geological conditions with rich CBM *** 46 Xishanyao coal samples gathered from the drilling cores and coal mines cover 4 types of macrolithotypes(bright coal 1,semi-bright coal 2,semi-dull coal 3,and dull coal 4)and 2 types of coal structures(primary coal I and cataclastic coal II).Based on a range of pore testing experiments and analytical methods,the dual effects of different macrolithotypes and coal structures on pore structures were intensely *** results showed that the specific surface area(SSA)and total pore volume(TPV)of coal samples increased gradually from bright to dull *** the same macrolithotypes,the SSA and TPV of the primary coals were lower than those of the cataclastic ***,the pore structures of bright and semi-bright coals are simpler when compared to semi-dull and dull coals with the same coal structure,whereas cataclastic coals have more complicated pore structure systems than primary coals with the same *** bright and semi-bright coals have higher vitrinite contents and more endogenous fractures,whereas well-developed structural fractures were identified in cataclastic ***,bright and semi-bright coals have better pore connectivity than semi-dull and dull coals with the same coal structure,the pore connectivity of cataclastic coals being slightly better than that of primary coals under the same *** terms of the CBM adsorption conditions,the eight type samples formed a descending order:Ⅱ-4>I-4>Ⅱ-3>Ⅰ-3>Ⅱ-2>Ⅰ-2>Ⅱ-1>Ⅰ-1,while they ranked as follows when consideration was given to the CBM seepage capacities:II-2>Ⅱ-1>Ⅰ-2>Ⅰ-1>Ⅰ-3>Ⅰ-4>Ⅱ-3>Ⅱ-*** a result,it could be determined that the bright and semi-bright

关键词： coalbed methane macrolithotype coal structure pore structure Southern Junggar Basin

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Insight into catalytic performance and reaction mechanism for toluene total oxidation over Cu-Ce supported catalyst

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Journal of Environmental Sciences 2025年第3期149卷 476-487页

作者： Xuan liang Jin Zhang Juntai Tian Zenghua Xie yue Liu Peng Liu Daiqi Ye School of Environment and Energy South China University of TechnologyGuangzhou 510006China National Engineering Laboratory for VOCs Pollution Control Technology and Equipment Guangzhou 510006China Guangdong Provincial Key Laboratory of Atmospheric Environment and Pollution Control South China University of TechnologyGuangzhou 510006China Guangdong Provincial Engineering and Technology Research Centre for Environmental Risk Prevention and Emergency Disposal South China University of TechnologyGuangzhou 510006China

Herein,three supported catalysts,CuO/Al_(2)O_(3),CeO_(2)/Al_(2)O_(3),and CuO-CeO_(2)/Al_(2)O_(3),were synthesized by the convenient impregnation method to reveal the effect of CeO_(2)addition on catalytic performance and reaction mechanism for toluene *** with CuO/Al_(2)O_(3),the T_(50)and T_(90)(the temperatures at 50%and 90%toluene conversion,respectively)of CuO-CeO_(2)/Al_(2)O_(3)were reduced by 33 and 39°C,respectively.N_(2)adsorptiondesorption experiment,XRD,SEM,EDS mapping,Raman,EPR,H_(2)-TPR,O_(2)-TPD,XPS,NH_(3)-TPD,Toluene-TPD,and in-situ DRIFTS were conducted to characterize these *** excellent catalytic performance of CuO-CeO_(2)/Al_(2)O_(3)could be attributed to its strong coppercerium interaction and high oxygen vacancies ***,in-situ DRIFTS proved that CuO-CeO_(2)/Al_(2)O_(3)promoted the conversion of toluene to benzoate and accelerated the deep degradation path of *** work provided valuable insights into the development of efficient and economical catalysts for volatile organic compounds.

关键词： Cu-Ce supported catalyst Copper-cerium interaction Oxygen vacancies Toluene oxidation Reaction mechanism

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Unraveling the reaction mechanism of high reversible capacity CuP_(2)/C anode with native oxidation PO_(x) component for sodium-ion batteries

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Chinese Chemical Letters 2025年第1期36卷 574-578页

作者： Huixin Chen Chen Zhao Hongjun yue Guiming Zhong Xiang Han liang Yin Ding Chen State Key Laboratory of Advanced Design and Manufacturing for Vehicle Body College of Mechanical and Vehicle EngineeringHunan UniversityChangsha 410082China CAS key Laboratory of Design and Assembly of Functional Nanostructures and Fujian Provincial Key Laboratory of NanomaterialsFujian Institute of Research on the Structure of MatterChinese Academy of SciencesFuzhou 350002China College of Materials Science and Engineering Co-Innovation Center of Efficient Processing and Utilization of Forest ResourcesNanjing Forestry UniversityNanjing 210037China Laboratory of Advanced Spectro-electrochemistry and Li-ion Batteries Dalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023China Institute of Physics Chinese Academy of SciencesBeijing 100190China Xiamen Key Laboratory of Rare Earth Photoelectric Functional Materials Xiamen Institute of Rare Earth MaterialsHaixi institutesChinese Academy of SciencesXiamen 361021China

Phosphorus-based anode is a promising anode for sodium-ion batteries(SIBs)due to its high specific capacity,however,suffers from poor electronic conductivity and unfavorable electrochemical *** metals such as copper(Cu)into phosphorus has been demonstrated to not only improve the electronic conductivity but also accommodate the volume change during cycling,yet the underline sodiation mechanism is not ***,take a copper phosphide and reduced graphene oxide(CuP_(2)/C)composite as an example,which delivers a high reversible capacity of>900 mAh/***,it is revealed that the native oxidation PO_(x)components of the CuP_(2)/C composite show higher electrochemical reversibility than the bulk Cu P_(2),based on a quantitative analysis of high-resolution solid-state^(31)P NMR,ex-situ XPS and synchrotron X-ray diffraction characterization *** sodiation products Na_(3)PO_(4) and Na_(4)P_(2)O_(7) derived from PO_(x) could react with Na-P alloys and regenerate to PO_(x) during charge process,which probably accounts for the high reversible capacity of the Cu P_(2)/C *** findings also illustrate that the phosphorus transforms into nanocrystalline Na_(3)P and Na_(x)P alloys,which laterally shows crystallization-amorphization evolution process during cycling.

关键词： CuP_(2)/C composite POx component Reaction mechanism Solid-state NMR Sodium-ion batteries

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Comparison of the effect of ranibizumab in retinal vein occlusion and macular edema with different optical coherence tomographic patterns

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International Journal of Ophthalmology(English edition) 2025年第2期18卷 275-282页

作者： yue Xu yue-Cong Yin Ze-Yu Song Xiao-Yu Zhou Jia-Ju Zhang Juan liang Department of Ophthalmology the Fourth Affiliated Hospital of Soochow UniversitySuzhou 215000Jiangsu ProvinceChina

AIM:To explore the morphological and functional parameters to evaluate the effectiveness of intravitreal injections of ranibizumab(IVR)in treating macular edema(ME)secondary to retinal vein occlusion(RVO).METHODS:This retrospective study involved 65 RVO patients(65 eyes)who received IVR and were followedup for more than *** was categorized into cystoid macular edema(CME),diffuse retinal thickening(DRT),and serous retinal detachment(SRD)according to optical coherence tomography(OCT)*** comparison of best corrected visual acuity(BCVA;logMAR)and central macular thickness(CMT)among different follow-up points and those among 3 groups were performed by Kruskal-Wallis *** correlation between BCVA and baseline parameters during treatment was analyzed using Spearman correlation ***:BCVA tended to improve in all groups,with marked improvement in CME and DRT *** showed the greatest reduction after 1wk,and remained stable over the following *** patients had the worst BCVA and the highest CMT at baseline,but the differences became smaller after IVR *** in SRD group was significantly better than in CME and DRT groups 3mo after *** patients of CME and SRD groups transitioned to a normal pattern at 3mo *** patients were most likely to transform into the other morphological groups,while SRD patients showed minimal *** at baseline was identified as the most important prognostic indicator in all 3 ***,DRT patients with a longer clinical course,higher CMT and central retinal vein occlusion(CRVO)tend to exhibit worse BCVA after *** addition,CRVO patients are more likely to have worse BCVA at 2 and 3mo follow-up compared with branch retinal vein occlusion(BRVO)patients in CME *** patients with higher baseline CMT were prone to experiencing worse BCVA after ***:The effectiveness of IVR is strongly correlated with baseline BCVA in all 3 *** parameters inc

关键词： retinal vein occlusion optical coherence tomography serous retinal detachment cystoid macular edema diffuse retinal thickening

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Ligand Engineering Achieves Suppression of Temperature Quenching in Pure Green Perovskite Nanocrystals for Efficient and Thermostable Electroluminescence

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Nano-Micro Letters 2025年第4期17卷 25-38页

作者： Kaiwang Chen Qing Du Qiufen Cao Chao Du Shangwei Feng Yutong Pan yue liang Lei Wang Jiangshan Chen Dongge Ma Institute of Polymer Optoelectronic Materials and Devices Guangdong Basic Research Center of Excellence for Energy&Information Polymer MaterialsState Key Laboratory of Luminescent Materials and DevicesGuangdong Provincial Key Laboratory of Luminescence From Molecular AggregatesSouth China University of TechnologyGuangzhou 510640People’s Republic of China Wuhan National Laboratory for Optoelectronics Huazhong University of Science and TechnologyWuhan 430074People’s Republic of China

Formamidinium lead bromide(FAPbBr_(3))perovskite nanocrystals(NCs)are promising for display and lighting due to their ultra-pure green ***,the thermal quenching will exacerbate their performance degradation in practical applications,which is a common issue for halide ***,we reported the heat-resistant FAPbBr_(3)NCs prepared by a ligand-engineered room-temperature synthesis *** aromatic amine,specificallyβ-phenylethylamine(PEA)or 3-fluorophenylethylamine(3-F-PEA),was incoporated as the short-chain ligand to expedite the crystallization rate and control the size distribution of FAPbBr_(3)*** this ligand engineering approach,we synthesized high quality FAPbBr_(3)NCs with uniform grain size and reduced long-chain alkyl ligands,resulting in substantially suppressed thermal quenching and enhanced carrier transportation in the perovskite NCs *** notably,more than 90%of the room temperature PL intensity in the 3-F-PEA modified FAPbBr_(3)NCs film was preserved at 380 ***,we fabricated ultra-pure green EL devices with a room temperature external quantum efficiency(EQE)as high as 21.9%at the luminance of above 1,000 cd m^(-2),and demonstrated less than 10%loss in EQE at 343 *** study introduces a novel room temperature method to synthesize efficient FAPbBr_(3)NCs with exceptional thermal stability,paving the way for advanced optoelectronic device applications.

关键词： Perovskite nanocrystals Ligands engineering Thermal quenching Ultra-pure green emission Light-emitting diodes

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“One stone, two birds”: Salt template enabling porosity engineering and single metal atom coordinating toward high-performance zinc-ion capacitors

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Journal of Energy Chemistry 2025年第1期100卷 637-645页

作者： Chunliu Zhu Huanyu liang Ping Li Chenglong Qiu Jingyi Wu Jingwei Chen Weiqian Tian yue Zhu Zhi Li Huanlei Wang School of Materials Science and Engineering Ocean University of ChinaQingdao 266100ShandongChina Department of Chemical and Materials Engineering University of AlbertaAlberta T6G 2V4EdmontonCanada

Zinc-ion hybrid capacitors (ZIHCs) have received increasing attention as energy storage devices owing to their low cost,high safety,and environmental ***,their progress has been hampered by low energy and power density,as well as unsatisfactory long-cycle stability,mainly due to the lack of suitable electrode *** this context,we have developed manganese single atoms implanted in nitrogen-doped porous carbon nanosheets (MnSAs/NCNs) using a metal salt template method as cathodes for *** metal salt serves a dual purpose in the synthesis process:It facilitates the uniform dispersion of Mn atoms within the carbon matrix and acts as an activating agent to create the porous *** applied in ZIHCs,the MnSAs/NCNs electrode demonstrates exceptional performance,including a high capacity of 203 m Ah g^(-1),an energy density of 138 Wh kg^(-1)at 68 W kg^(-1),and excellent cycle stability with 91%retention over 10,000 *** calculations indicate that the introduced Mn atoms modulate the local charge distribution of carbon materials,thereby improving the electrochemical *** work demonstrates the significant potential of carbon materials with metal atoms in zinc-ion hybrid capacitors,not only in enhancing electrochemical performance but also in providing new insights and methods for developing high-performance energy storage devices.

关键词： Zinc ion hybrid capacitors Cathodes Carbon materials Heteroatoms Single atoms

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Tianxiangdan(TXD) alleviates myocardial ischemia reperfusion-induced ferroptosis through the activation of estrogen receptor alpha(ERα)

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Chinese Journal of Natural Medicines 2025年第1期23卷 102-110页

作者： Yuanjia yue Yu Li Xing Rong Zhao Ji Huimin Wang liang Chen Lin Jiang Department of Pharmacy The Fourth College of Clinical Medicine Xinjiang Medical University Department of Pharmacy Xinjiang Uygur Autonomous Region Hospital of Traditional Chinese Medicine State Key Laboratory of Pathogenesis Prevention and Treatment of High Incidence Diseases in Central Asia Xinjiang Medical University Department of Neurosurgery ICU Xinjiang Uygur Autonomous Region People's Hospital

Tianxiangdan（TXD）, a traditional Chinese herbal remedy, demonstrates efficacy in mitigating myocardial ischemia-reperfusion（I/R）-induced damage. This study employed network pharmacology to evaluate the therapeutic targets and mechanisms of TXD in treating I/R. Highperformance liquid chromatography-mass spectrometry（HPLC-MS） identified 86 compounds in TXD. Network pharmacological analysis predicted potential target genes and their modes of action. Cardiac function, ischaemic ST changes, lactate dehydrogenase（LDH）,malondialdehyde（MDA）, superoxide dismutase（SOD） activity, myocardial fiber, and infarct size were assessed using in vivo and in vitro I/R injury models. Estrogen receptor alpha（ERα）protein expression and estradiol（E2） levels were measured to confirm TXD's impact on estrogen levels and ERα expression. To examine if TXD reduces I/R injury through ERα, an AZD group(300 nmol·L-1AZD9496 and 15% TXD serum) was compared to a TXD group（15% TXD serum）. The study hypothesized that TXD upregulates the ERα-mediated iron metamorphosis pathway. I/R injury-induced ferroptosis was identified using a Fer-1 group(1.0 μmol·L-1Fer-1 and 15% TXD serum) to elucidate the potential association between ferroptosis and ERαproteins. A DCFH-DA probe detected reactive oxygen species（ROS） and Fe2+, while Western blotting assessed target protein expression. Both in vitro and in vivo experiments demonstrated that TXD attenuated I/R injury by reducing elevated ST-segment levels, improving cardiac injury biomarkers（LDH, MDA, and SOD）, alleviating pathological features, and preventing I/R-induced loss of cell viability in vitro. The effects and mechanisms of TXD on I/R injury-associated ferroptosis were investigated using I/R-induced H9c2 cells. The TXD group showed significantly decreased ROS and Fe2+levels, while the AZ group（treated with AZD9496） exhibited increased levels. The TXD group demonstrated enhanced expression of ERα and glutathione peroxidase 4（GPX4）, with reduced levels of P53

关键词： Estrogen receptor alpha Ferroptosis Myocardial ischemia-reperfusion injury Network pharmacology Tianxiangdan

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