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Chinese Journal of Structural Chemistry 2020年第8期39卷 1458-1464,1359页

作者： JU Ping liu xi-cheng ZHANG En-Sheng College of Chemistry and Chemical Engineering Qufu Normal UniversityQufu 273165China Laboratory of New Energy&New Functional Materials College of Chemistry and Chemical EngineeringYan'an UniversityYan'an 716000China

A three-dimensional(3D)zinc metal-organic framework(MOF),Zn4(μ4-O)(bcd)3(complex 1)has been synthesized by using 1-[bis(4-carboxylphenyl)methyl]-1,3-diazole(H2 bcd)and Zn(NO3)2·6 H2O under hydrothermal *** structure has been determined by single-crystal X-ray diffraction analyses and further characterized by elemental analyses,IR spectra,powder X-ray diffraction(PXRD)and thermogravimetric analyses(TGA).Single-crystal X-ray diffraction analyses reveal that complex 1 crystallizes in trigonal system,space group R3 with a=23.0521(6),b=23.0521(6),c=15.3326(6)A,γ=120°,V=7056.2(4)A^3,Z=6,C54H36N6O13Zn4,Mr=1242.37,Dc=1.754 g/cm^3,F(000)=3756,the final R=0.0411 and wR=0.1007 for 2743 observed reflections(I>2σ(I)).Complex 1 consists of a 3D network constructed by four nuclear clusters Zn4(μ4-O)(COO)6 N3 and the ***,1 exhibits strong luminescent emission in solid state at room temperature and could be used as a qualitative fluorescence enhancing sensor for ammonia vapor in air.

关键词： zinc MOF 1-[bis(4-carboxylphenyl)methyl]-1,3-diazole crystal structure fluorescent material

Diorganotin Complexes of N-[4-(Diethylamino)salicylidene]-(L)-tryptophane: Syntheses, Structures and Properties

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Chinese Journal of Structural Chemistry 2019年第11期38卷 1977-1985页

作者： TIAN Lai-Jin CHEN Le-xing AN Wu-Gai liu xi-cheng Department of Chemistry Qufu Normal UniversityQufu 273165China Institute of Anticancer Agents Development Qufu Normal UniversityQufu 273165China

Four chiral diorganotin complexes of N-[4-(diethylamino)salicylidene]-(L)-tryptophane,R2Sn[4-(Et2N)-2-OC6H3CH=NCH(CH2Ind)COO](Ind=3-indolyl;R=Me(1);Et,(2);n-Bu(3);Cy(cyclohexyl)(4)),have been synthesized and characterized by elemental analysis,IR,and 1H and 13C NMR *** crystal structures of 1-CH3OH-CHCl3,2,3-CH3OH and 4-CH3CH2OH have been determined by single-crystal X-ray *** complexes crystallize in orthorhombic system with P212121 space group,and the tin atoms are in distorted trigonal bipyramidal geometry and form five-and six-membered chelate rings with the chiral ONO tridentate ligand N-[4-(diethylamino)salicylidene]-(L)-*** the complexes,the molecules are connected into one-dimensional supramolecular chain by intermolecular N–H…O–H…O=C or N–H…O–C hydrogen *** fluorescence spectrum indicates that the complexes may be explored for potential blue luminescent *** results show that 3 and 4 belong to the efficient cytostatic agents against A549 human tumor cell.

关键词： organotin complex Schiff base crystal structure antitumor activity fluorescence

双(三有机锡)2,3-吡啶二甲酸酯的合成、表征和体外抗癌活性

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无机化学学报 2006年第4期22卷 629-632页

作者：田来进孙玉希郑晓亮刘西成钱伯初曲阜师范大学化学系曲阜273165 浙江省医学科学院药物研究所杭州310013

合成了2个新的双(三有机锡)2,3-吡啶二甲酸酯2,3-C5H3N(CO2SnR3)2(R=c-C6H11,1;C6H5C(CH3)2CH2,2),利用元素分析、IR和1HNMR表征了其结构。通过X-射线单晶衍射测定了配合物2的晶体结构。该化合物晶体属单斜晶系,空间群P21/n,a=0.9553(1),b=1.8118(2),c=3.5339(4)nm,β=94.914(2)°,Z=4,V=6.0941(13)nm3,R=0.0384,wR=0.0966,S=1.015。2,3-吡啶二甲酸的2个羧基键连2个三有机锡,2个锡原子均为畸变的四面体配位构型。生物活性测试结果表明,化合物1和2对3种人癌细胞HeLa、CoLo205和MCF-7具有好的体外抗癌活性。

关键词：有机锡羧酸酯 2,3-吡啶二甲酸体外抗癌活性晶体结构

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基于CEEMD-LSTM光伏短期功率预测

科学技术与工程 2024年第13期24卷 5396-5405页

作者：梁亚峰马立红邱剑洪冯在顺何雷震刘承锡海南能源发展研究院(电网规划设计研究中心) 海口570100 海南电网有限责任公司三沙供电局三沙573100 武汉大学电气与自动化学院武汉430072

为解决传统机器学习方法在面对多变的环境因素和不平稳序列时导致光伏功率预测精度低的问题,提出一种基于完全经验模态分解(complete ensemble empirical mode decomposition,CEEMD)和长短期记忆神经网络(long short-term memory,LSTM)... 详细信息

为解决传统机器学习方法在面对多变的环境因素和不平稳序列时导致光伏功率预测精度低的问题,提出一种基于完全经验模态分解(complete ensemble empirical mode decomposition,CEEMD)和长短期记忆神经网络(long short-term memory,LSTM)相结合的光伏短期功率预测模型。首先,充分考虑影响光伏出力的太阳辐照度、相对湿度、大气压力和空气温度4种环境因素,通过CEEMD将气象因素特征曲线分解为多模态特征数据,准确捕捉其不同的时间尺度和频率特征,进而充分保留环境数据的不平稳特征。其次,在此基础上,利用LSTM网络对多模态特征数据进行时间序列建模,旨在保留时间序列的季节性和不平稳特征,为后续建模提供更准确的输入特征。最后,通过对分解后的信号开展训练,根据输入数据的变化自适应调整预测模型参数,迭代生成特定场景下的预测模型,从而灵活应对实时环境变化,得到相应功率预测结果。在海南一孤立海岛分布式光伏电站37 kW子阵的8个月气象和功率数据集进行验证,实验结果表明,所提方法在保留环境数据细节和局部特性上具有显著优势,在不同气象条件均具有良好的自适应性,有效提高了光伏短期功率预测精度。

关键词：光伏发电完全经验模态分解长短期记忆神经网络光伏短期功率预测不平稳特征多模态特征数据

Synthesis, Characterization and Properties of Bipolar Triphenylamine Charge Transport Materials

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Chinese Journal of Structural Chemistry 2019年第4期38卷 533-540页

作者： liu xi-cheng liu xin-Yu ZHOU Ping LI Jin-Jie TIAN Hao-Ze LI xiang-Gao School of Chemistry and Chemical Engineering Qufu Normal University School of Chemical Engineering and Technology Tianjin University

Four bipolar triphenylamine(TPA) charge transport materials were constructed by introducing imidazole and trifluoroacetyl groups into the TPA units, and characterized by the nuclear magnetic resonance spectrum(NMR) and mass spectrometry(MS). Among them, 4-(2-(1,3-trifluoroacetyl)imidazole)-phenyl-4,4?-di(4-methoxyphenyl)amine(2 Me OTPA-IOS, 1) was determined by X-ray single-crystal diffraction. The compound crystallizes in monoclinic system, space group P21/c with a = 24.338(5), b = 9.565(2), c = 11.456(2) ?, β = 99.427(3)°, Mr = 565.47, V = 2631.0(8) ?3,Z = 4,Dc = 1.428 g/cm3, μ = 0.125 mm–1, F(000) = 1160, the final R = 0.0559 and wR = 0.1265 for 5150 observed reflections with I > 2σ(I). The optimized configurations of the target compounds were obtained by quantum chemical calculation, and the bipolarity of transportable holes and electrons was predicted by the frontier molecular orbital(HOMO and LUMO), which was further confirmed by the time of flight(TOF) method. In addition, the introduction of the terminal flexible chain enhances the solubility, thermal stability(DSC and TGA) and film-forming property of all compounds, and the frontier orbital energy of the solid film of the compounds was also tested(UV-vis and PYS). Thus, these compounds have the bipolarity of transportable holes and electrons and show good solubility and thermal stability.

关键词： triphenylamine(TPA) bipolarity material hole-transport electron-transport

Facile synthesis of W-Mo bimetallic oxides with high adsorption properties from secondary resources

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Tungsten 2024年第4期6卷 806-820页

作者： Jia-Li cheng Yang-Si liu xiao-Li xi Zuo-Ren Nie Collaborative Innovation Center of Capital Resource-Recycling Material Technology College of Materials Science and Engineering Beijing University of Technology National Engineering Laboratory for Industrial Big-Data Application Technology Beijing University of Technology Key Laboratory of Advanced Functional Materials Ministry of Education Beijing University of Technology

A simple solvothermal method was used to obtain W-Mo bimetallic oxides from W-Mo alloy scrap,and pure metal powders were also used as the raw materials to simulate *** products had a sea urchin-like structure with abundant oxygen vacancies and the products prepared at low temperatures forms a sosoloid resembling orthorhombic *** WMo bimetallic oxide prepared at the reaction temperature of 120 ℃ exhibited excellent selective adsorption performance for methylene blue（MB）,which the adsorption rate of MB reached 99% in 12 min and the adsorption rate reached 90% after6 adsorption *** the W-Mo molar ratio is 1:3,the maximum adsorption capacity of sample for MB can reach1148 mg·*** adsorption process followed the Langmuir and pseudo-second-order models,which is surface-controlled monolayer *** experimental results show the feasibility of preparing W-Mo bimetal oxide products from pure materials and *** process is simple and effective,which offered a potential approach for secondary resource recycling and reusing.

关键词： Oxygen vacancy Selective adsorption Solvothermal W–Mo alloy scrap W–Mo bimetallic oxide

Single transition-metal atoms anchored on a novel Diracdispersiveπ-πconjugated holey graphitic carbon nitride substrate:computational screening toward efficient bifunctional OER/ORR electrocatalysts

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Rare Metals 2024年第8期43卷 3819-3832页

作者： Chun-Yao Fang xi-Hang Zhang Qiang Zhang Di liu xiao-Meng Cui Jing-cheng Xu cheng-Long Shi Meng-Yu Yang College of Science University of Shanghai for Science and TechnologyShanghai 200093China School of Materials and Chemistry University of Shanghai for Science and TechnologyShanghai 200093China

Nonprecious-metal-group single-metal-atom catalysts with bifunctional catalytic capabilities toward the oxygen evolution reaction(OER)and oxygen reduction reaction(ORR)are highly sought after in energy-conversion and storage ***,producing renewable and sustainable energy sources remains ***,single-transition metal atoms anchored onπ-πconjugated two-dimensional(2D)graphitic carbon nitride substrates formπ-d conjugated conductive channels that enhance the overall electrocatalytic ***,firstprinciples calculations were carried out to design and demonstrate a novel macropore graphitic carbon nitride(gC_(10)N_(3))as a promising 2D electrocatalyst substrate to support single-transition metal(TM,from Sc to Au).The"donation-acceptance"charge interaction in the TM-N_(2)moiety effectively balances the adsorption strength of oxygenated intermediates in Ni@g-C_(10)N_(3)and Rh@gC_(10)N_3,making them effective bifunctional OER/ORR electrocatalysts with IrO_(2)/Pt-beyond overpotentials being as low as 0.39/0.38 V and 0.54/0.44 V,***,they possess high stability and conductivity and are less susceptible to oxidation and corrosion under working *** guarantees high activity under ambient ***,the origin of the OER/ORR activity of TM@g-C_(10)N_(3) is explained using multilevel descriptors:intrinsic(p,Bader charge,integral crystal orbital Hamilton population(ICOHP),bond length,and d-band center(εd).In particular,for optimal Ni@g-C_(10)N_(3),the clear hybridization between the Ni-d orbital and surface O-p orbital causes the paired electrons to occupy the bonding *** enables OH~*to be adsorbed on the Ni@g-C_(10)N_(3),thereby achieving the highest catalytic performance.

关键词： First-principles calculation Oxygen evolution reaction Oxygen reduction reaction Bifunctional electrocatalysts Single-metal-atom electrocatalysts

Single-Cell Mapping of Brain Myeloid Cell Subsets Reveals Key Transcriptomic Changes Favoring Neuroplasticity after Ischemic Stroke

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Neuroscience Bulletin 2024年第1期40卷 65-78页

作者： Fangxi liu xi cheng Chuansheng Zhao xiaoqian Zhang Chang liu Shanshan Zhong Zhouyang liu xinyu Lin Wei Qiu xiuchun Zhang Department of Neurology.The First Affiliated Hospital of China Medical University Shenyang 110001China Department of Neurology The Third Affiliated Hospital of Sun Yat-sen UniversityGuangzhou 510630China Stroke Center The First Affiliated Hospital of China Medical UniversityShenyang 110001China

Interactions between brain-resident and periph-eral infiltrated immune cells are thought to contribute to neuroplasticity after cerebral ***,con-ventional bulk sequencing makes it challenging to depict this complex immune *** single-cell RNA sequencing,we mapped compositional and transcriptional features of peri-infarct immune *** were the predominant cell type in the peri-infarct region,displaying a more diverse activation pattern than the typical pro-and anti-inflammatory state,with axon tract-associated micro-glia(ATMs)being associated with neuronal *** inference suggested that infiltrated monocyte-derived macrophages(MDMs)exhibited a gradual fate trajectory transition to activated ***-cellular crosstalk between MDMs and microglia orchestrated anti-inflammatory and repair-promoting microglia phenotypes and promoted post-stroke neurogenesis,with SOX2 and related Akt/CREB signaling as the underlying *** description of the brain's immune landscape and its relationship with neurogenesis provides new insight into promoting neural repair by regulating neuroinflammatory responses.

关键词： Ischemic stroke Monocyte-derived macrophage Microglia Neurogenesis Single-cell sequencing

“Blocking and rebalance” mechanism-guided design strategies of bimetallic doped 2D a-phosphorus carbide as efficient catalysts for N2 electroreduction

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Journal of Energy Chemistry 2024年第10期97卷 68-78页

作者： cheng He Jianglong Ma Shen xi Wenxue Zhang State Key Laboratory for Mechanical Behavior of Materials School of Materials Science and Engineering Xi'an Jiaotong University School of Materials Science and Engineering Chang'an University

Compared to single atom catalysts（SACs）,the introduction of dual atom catalysts（DACs） has a significantly positive effect on improving the efficiency in the electrocatalytic nitrogen reduction reaction（NRR） which provides an environmental alternative to the Haber-Bosch ***,the research on the mechanism and strategy of designing bimetallic combinations for better performance is still in its early ***,based on "blocking and rebalance" mechanism,45 combinations of bimetallic pair doped α-phosphorus carbide（TMATMB@PC） are investigated as efficient NRR catalysts through density functional theory and machine learning *** a multi-step screening,the combinations of TiV,TiFe,MnMo,and FeW exhibit highly efficient catalytic performance with significantly lower limiting potentials（-0.17,-0.18,-0.14,and-0.30 V,respectively）.Excitingly,the limiting potential for CrMo and CrW combinations is 0 V,which are considered to be extremely suitable for the NRR *** mechanism of "blocking and rebalance" is revealed by the exploration of charge transfer for phosphorus atoms in electron blocking ***,the descriptor φ is proposed with machine learning,which provides design strategies and accurate prediction for finding efficient *** work not only offers promising catalysts TMATMB@PC for NRR process but also provides design strategies by presenting the descriptor φ.

关键词： 2D α-phosphorus carbide DACs Inherent attributes Machine learning Nitrogen reduction reaction

Effect of cytochrome P4502C19(CYP2C19)gene polymorphism and clopidogrel reactivity on long term prognosis of patients with coronary heart disease after PCI

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Journal of Geriatric Cardiology 2024年第1期21卷 90-103页

作者： cheng-Yan HU Yan-Ling WANG Zhen-xing FAN xi-Peng SUN Shuai WANG Zhi liu Department of Geriatrics Fu Xing HospitalCapital Medical UniversityBeijingChina Department of Cardiology Xuanwu Hospital Capital Medical UniversityBeijingChina Emergency Department of Xuanwu Hospital Capital Medical UniversityBeijingChina

Objective To investigate the impact of CYP2C19 gene polymorphism on clopidogrel reactivity and its association with longterm clinical outcome in patients with coronary heart disease(CHD)undergoing percutaneous coronary intervention(PCI).Methods In total,675 patients were *** on the platelet inhibition rate,patients were categorized into two groups:clopidogrel low responsiveness(CLR)and normal clopidogrel responsiveness(NCR).The CLR group was divided into ticagrelor and clopidogrel group based on the antiplatelet drugs used in the follow-up *** were classified into three groups(normal metabolizer,intermediate metabolizer,and poor metabolizer)based on the CYP2C19 *** aimed to evaluate the impact of CYP2C19 gene polymorphism on clopidogrel *** cumulative rates of 12-month all-cause deaths,major adverse cardiovascular events(MACCEs),and bleeding events were *** CLR was observed in 44.4%of the overall *** differences were observed in the platelet inhibition rate of clopidogrel among the three metabolic genotypes(P0.05).Conclusions Low response to clopidogrel in CHD patients is correlated with CYP2C19 gene ***2C19 genotyping combined with platelet reactivity is an independent predictor of 12-months MACCEs in patients with clopidogrel treatment after PCI,which is better than either test alone.

关键词： CYP2C19 drugs PCI