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Robust architecture of 2D nano Mg-based borohydride on graphene with superior reversible hydrogen storage performance

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Journal of Materials Science & Technology 2023年第15期146卷 121-130页

作者： Xuancheng Wang Yuxiao Jia Xuezhang Xiao Panpan Zhou Jiapeng Bi Jiacheng Qi Ling lv Fen Xu Lixian Sun Lixin Chen State Key Laboratory of Silicon Materials School of Materials Science and EngineeringZhejiang UniversityHangzhou 310027China Guangxi Collaborative Innovation Center of Structure and Property for New Energy and Materials School of Material Science and EngineeringGuilin University of Electronic TechnologyGuilin 541004China Key Laboratory of Advanced Materials and Applications for Batteries of Zhejiang Province Hangzhou 310013China

Efficient technical strategies to synthesize hydrides with high capacity and favorable reversibility are significant for the development of novel energy ***,nano Mg-based borohydride,Mg(BH_(4))_(2),with robust architecture was designed and prepared by confining on graphene through a solution selfconfinement *** Mg(BH_(4))_(2) confined on graphene displays a wrinkled 2D nano layer morphology within 8.8 nm *** 2D nano Mg(BH_(4))_(2) can start dehydrogenation at 67.9℃ with a high capacity of 12.0 wt.%,which is 190.5℃ lower than pristine Mg(BH_(4))_(2).The isothermal dehydrogenation tests and kinetics fitting results indicate the 2D nano Mg(BH_(4))_(2) possesses much-enhanced dehydrogenation kinetics of 31.3 kJ/mol activation energy,which is only half of pristine Mg(BH_(4))_(2).The thermodynamics of the 2D nano Mg(BH_(4))_(2) is also verified by PCT tests,of which Gibbs free energy value for the confined 2D nano Mg(BH_(4))_(2) is estimated to be-18.01 kJ/mol H_(2),lower than-16.36 kJ/mol H_(2) of pristine Mg(BH_(4))_(2).Importantly,the reversibility of the confined 2D nano Mg(BH_(4))_(2) is significantly enhanced to over 90%capacity retention with relatively kinetics stability during 10 *** mechanism analyses manifest that Mg(BH_(4))_(2) exhibits stable 2D nano morphology during 10 cyclic tests,resulting in the greatly reduced H diffusion path and the improved de/rehydrogenation kinetics of the 2D nano Mg(BH_(4))_(2).Based on theoretical calculations of Mg(BH_(4))_(2) and the intermediate MgB12H12 confined on graphene,the charge transfer status of both samples is modified to facilitate de/rehydrogenation,thus leading to the significant thermodynamic improvements of the reversible hydrogen storage performances for 2D nano Mg(BH_(4))_(2).Such investigation of the Mg-based borohydride will illuminate prospective technical research of energy storage materials.

关键词： Mg(BH_(4))_(2) Nano-confinement Kinetics Thermodynamics Reversible hydrogen storage

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腐霉利的合成及密度泛函理论研究

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广东化工 2024年第3期51卷 53-55页

作者：段海潮马超柴明根吕金星焦艳晓江西禾益化工股份有限公司江西九江332700 九江学院江西生态化工工程技术研究中心江西九江332005

我们以3,5-二氯苯胺、1,2-二甲基环丙烷-1,2-二甲酸甲酯(以下简称二甲酯)为原料制备得到了腐霉利。以降低原料消耗量,减少“三废”排放以及提高经济效益为目标,对腐霉利制备中的投料比、反应温度、溶剂进行了优化,确定了最佳反应条件。... 详细信息

我们以3,5-二氯苯胺、1,2-二甲基环丙烷-1,2-二甲酸甲酯(以下简称二甲酯)为原料制备得到了腐霉利。以降低原料消耗量,减少“三废”排放以及提高经济效益为目标,对腐霉利制备中的投料比、反应温度、溶剂进行了优化,确定了最佳反应条件。当使用水作为溶剂,3,5-二氯苯胺与二甲酯的摩尔比为1∶1,反应温度100℃时,以高收率低消耗得到腐霉利。同时,将密度泛函计算与前线轨道理论相结合,对腐霉利可能的衍生方式进行研究。

关键词：腐霉利投料比反应温度合成密度泛函理论

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基于网络药理学及分子对接技术分析复方丹参滴丸防治高血压病作用机制

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中医临床研究 2024年第15期16卷 8-16页

作者：莫文月吕祥威徐彤彤武琦陈礼琴桂林医学院附属医院广西桂林541001 桂林医学院广西桂林541199 徐州医科大学江苏徐州221004

目的:运用网络药理学和分子对接技术探索复方丹参滴丸防治高血压病的潜在分子机制。方法:在中药系统药理学数据库与分析平台(TCMSP)中,以口服生物利用度和类药性为筛选标准,检索出复方丹参滴丸的化学成分,查询对应靶点;利用Genecards数... 详细信息

目的:运用网络药理学和分子对接技术探索复方丹参滴丸防治高血压病的潜在分子机制。方法:在中药系统药理学数据库与分析平台(TCMSP)中,以口服生物利用度和类药性为筛选标准,检索出复方丹参滴丸的化学成分,查询对应靶点;利用Genecards数据库查询高血压病相关靶点,运用Venny数据库得到药物与疾病交集靶点,利用Cytoscape 3.9.1软件构建“药物-活性成分-靶点”网络图及蛋白质-蛋白质相互作用(PPI)关系。通过Metascape和微生信平台对药物与疾病的交集靶点进行京都基因与基因组百科全书(KEGG)通路富集分析及基因本体论(GO)分析,采用Cytoscape 3.9.1软件对筛选的核心成分和核心靶点进行分子对接验证并使用PyMol软件对结果进行可视化分析。结果:共获复方丹参滴丸活性成分76种、相关靶点1062个、复方丹参滴丸与高血压病共有靶点272个,木犀草素、槲皮素、乙酸冰片酯等是复方丹参滴丸防治高血压病的重要化合物,主要通过癌症通路、晚期糖基化终末产物(Advanced Glycation End Product,AGE)-晚期糖基化终末产物受体(Advanced Glycation End Product Receptor,RAGE)信号通路、流体剪切应力与动脉粥样硬化等作用于丝氨酸/苏氨酸蛋白激酶1(Akt Serine/Threonine Kinase 1,AKT1)、Jun原癌基因(Jun Proto-Oncogene,JUN)、丝裂原活化蛋白激酶(Mitogen-Activated Protein Kinase,MAPK)1、MAPK3、信号转导及转录激活蛋白3(Signal Transducer and Activator of Transcription 3,STAT3)等靶点以发挥作用。结论:通过网络药理学证实了复方丹参滴丸多成分、多靶点、多途径的作用规律,为后续临床研究提供了理论依据。

关键词：复方丹参滴丸网络药理学高血压分子对接信号通路

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Wavefront Shaping for Fast Focusing Light through Scattering Media Based on Parallel Wavefront Optimization and Superpixel Method

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Chinese Physics Letters 2020年第2期37卷 25-29页

作者： Yingchun Ding Xinjing lv Youquan Jia Bin Zhang Zhaoyang Chen Qiang Liu College of Mathematics and Physics Beijing University of Chemical TechnologyBeijing 100029 State Key Laboratory of Precision Measurement Technology and Instruments Department of Precision InstrumentsTsinghua UniversityBeijing 100084

When light travels in biological tissues,it undergoes multiple scattering and forms speckles,which seriously restricts the penetration depth of optical imaging in biological *** wavefront shaping method,by modulating the wavefront of incident light to compensate for the wavefront aberration,light focusing and scanning imaging through scattering media can be ***,wavefront shaping must be accomplished within the speckle decorrelation *** the short speckle decorrelation time of living tissues,the speed of wavefront shaping is rather *** propose a new iterative optimization wavefront shaping method to improve the speed of wavefront shaping in which the existing parallel optimization wavefront shaping method is improved and is combined with the superpixel *** with the traditional multi-frequency parallel optimization method,the modulation rate of our method is ***,we combine the high frame rate amplitude modulator,i.e.,the digital micromirror device(DMD),with the superpixel method to replace the traditional phase modulator(i.e.,spatial light modulator),which further increases the optimization *** our experiment,when the number of the optical modes is 400,light focusing is achieved with only 1000 DMD superpixel masks and the enhancement factor reaches *** approach provides a new path for fast light focusing through wavefront shaping.

关键词： speckle optimization replace

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基于绕射波的地震属性研究进展

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石化技术 2024年第4期31卷 216-218页

作者：谢玮夏勇杨骞毕臣臣吕慧雷朝阳中石化石油物探技术研究院有限公司江苏南京211103

绕射波是地下非均质异常体、小尺度构造的信息载体,具有较高分辨率。目前,绕射波分离及成像方法已逐渐成熟,而绕射波地震属性的研究及应用较少。基于此,系统梳理了绕射波地震属性在缝洞体、断裂、裂缝以及河道识别领域的应用,探讨了绕... 详细信息

绕射波是地下非均质异常体、小尺度构造的信息载体,具有较高分辨率。目前,绕射波分离及成像方法已逐渐成熟,而绕射波地震属性的研究及应用较少。基于此,系统梳理了绕射波地震属性在缝洞体、断裂、裂缝以及河道识别领域的应用,探讨了绕射波地震属性的发展方向和应用前景。

关键词：非均质异常体小尺度构造高分辨率绕射波地震属性

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Catalyst particle shapes and pore structure engineering for hydrodesulfurization and hydrodenitrogenation reactions

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Frontiers of Chemical Science and Engineering 2022年第6期16卷 897-908页

作者： Yao Shi Zhao Li Changfeng Yang Zhanlin Yang Zhenhui lv Chong Peng Bao-Lian Su Weikang Yuan Xinggui Zhou Xuezhi Duan State Key Laboratory of Chemical Engineering East China University of Science and TechnologyShanghai 200237China Dalian Research Institute of Petroleum and Petrochemicals SINOPECDalian 116045China Laboratory of Inorganic Materials Chemistry University of NamurB-5000 NamurBelgium

Catalyst particle shapes and pore structure engineering are crucial for alleviating internal diffusion limitations in the hydrodesulfiirization(HDS)/hydrodeni-trogenation(HDN)of gas *** effects of catalyst particle shapes(sphere,cylinder,trilobe,and tetralobe)and pore structures(pore diameter and porosity)on HDS/HDN performance at the particle scale are investigated via mathematical *** relationship between particle shape and effectiveness factor is first established,and the specific surface areas of different catalyst particles show a positive correlation with the average HDS/HDN reaction *** catalyst particle shapes primarily alter the average HDS/HDN reaction rate to adjust the HDS/HDN effectiveness *** optimal average HDS/HDN reaction rate exists as the catalyst pore diameter and porosity increase,and this optimum value indicates a tradeoff between diffusion and *** contrast to catalyst particle shapes,the catalyst pore diameter and the porosity of catalyst particles primarily alter the surface HDS/HDN reaction rate to adjust the HDS/HDN effectiveness *** study provides insights into the engineering of catalyst particle shapes and pore structures for improving HDS/HDN catalyst particle efficiency.

关键词： hydrodesulfiirization hydrodenitrogenation particle shape pore structure

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某型发动机增压转换活门未起动机理分析

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航空精密制造技术 2024年第3期60卷 68-70页

作者：李东吕光华武裕飞张天一航空工业沈阳飞机工业(集团)有限公司沈阳110850

针对某型飞机在滑行后,飞行参数报出其增压转换活门未起动的故障,本文阐述了该增压转换活门的工作原理,详细分析了故障现象,剖析可能引发该故障的原因,并提出了相应的排故流程,最终确定为增压转换活门协动的压力信号器故障导致上述问题... 详细信息

针对某型飞机在滑行后,飞行参数报出其增压转换活门未起动的故障,本文阐述了该增压转换活门的工作原理,详细分析了故障现象,剖析可能引发该故障的原因,并提出了相应的排故流程,最终确定为增压转换活门协动的压力信号器故障导致上述问题的发生。更换新成品后,进行外场试车验证,发动机各参数稳定,飞机状态恢复。

关键词：增压转换活门增压压力发动机高压转子转速航空发动机

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Comprehensive treatment and a rare presentation of Cronkhite–Canada syndrome: Two case reports and review of literature

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World Journal of Gastrointestinal Surgery 2023年第11期15卷 2646-2656页

作者： Yan-Qing lv Mei-Lan Wang Tong-Yu Tang Yu-Qin Li Department of Hepatobiliary and Pancreatic Medicine The First Hospital of Jilin UniversityChangchun 130021Jilin ProvinceChina Department of Gastroenterology Jilin Provincial People's HospitalChangchun 130021Jilin ProvinceChina Department of Gastroenterology The First Hospital of Jilin UniversityChangchun 130021Jilin ProvinceChina

BACKGROUND Cronkhite–Canada syndrome(CCS)is a rare sporadic polyposis syndrome that presents with gastrointestinal and ectodermal symptoms in addition to nutritional *** combined with hypothyroidism is an even rarer condition,with no standard treatment *** SUMMARY The present study described 2 patients with CCS:A 67-year-old woman with concomitant hypothyroidism and 68-year-old man treated with endoscopic mucosal resection(EMR).Both patients had multiple gastrointestinal symptoms and ectodermal changes,along with multiple gastrointestinal *** examination showed that the mucosa in both patients was hyperemic and edematous,with pathologic examination showing distorted,atrophic,and dilated *** 1 had concomitant hypothyroidism and was treated with *** to her self-reduction of hormone dose,her disease *** 2 underwent EMR,but refused further hormonal or biological ***,he was treated with an oral Chinese medical *** Pharmacotherapy can induce and maintain remission in CCS patients,with adjuvant EMR,long-term follow-up,and endoscopic surveillance being *** 1:Based on the aforementioned findings,Patient 1 was diagnosed with CCS and *** 2:Based on the aforementioned findings,Patient 2 was diagnosed with CCS.

关键词： Cronkhite–Canada syndrome Clinical features Gastrointestinal polyps Hypothyroidism Case report

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Optimizing polymer aggregation and blend morphology for boosting the photovoltaic performance of polymer solar cells via a random terpolymerization strategy

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Journal of Energy Chemistry 2021年第8期30卷 30-37,I0002页

作者： Tao Zhang Cunbin An Qianglong lv Jinzhao Qin Yong Cui Zhong Zheng Bowei Xu Shaoqing Zhang Jianqi Zhang Chang He Jianhui Hou State Key Laboratory of Polymer Physics and Chemistry Beijing National Laboratory for Molecular SciencesCAS Research/Education Center for Excellence in Molecular SciencesInstitute of ChemistryChinese Academy of Sciences100190 BeijingChina University of Chinese Academy of Sciences 100049 BeijingChina CAS Key Laboratory of Nanosystem and Hierarchical Fabrication CAS Center for Excellence in NanoscienceNational Center for Nanoscience and Technology100190 BeijingChina

Compared to regular conjugated polymers,the random conjugated terpolymers are usually not beneficial to achieve highly efficient non-fullerene(NF)-based polymer solar cells(PSCs)due to their disordered chemical *** this work,we report two random terpolymer donors(PBNB80 and PBNB50)by tuning the molar ratio of electron-accepting units of 1,3-di(thiophen-2-yl)naphtho[2,3-c]thiophene-4,9-dione(NTD)and 1,3-bis(4-chlorothiophen-2-yl)-4 H,8 H-benzo[1,2-c:4,5-c’]dithiophene-4,8-dione(ClBDD),at the same time,the parent polymers(PBNB100 and PBNB00)are also compared to *** four polymer donors exhibit similar optical bandgaps and gradually deepen highest occupied molecular orbital ***,aggregation and self-organization properties of the random terpolymer donors are optimized,which result in the better morphology and crystal coherence length after blending with NF acceptor of BO-4 ***,a PBNB80:BO-4 Cl blend forms an optimal nanoscale phase-separation morphology,thereby producing an outstanding power conversion efficiency of 16.0%,which is much higher than those(12.8%and 10.7%)of their parent binary polymer donor-based *** work demonstrates that rational using terpolymerization strategy to prepare random terpolymer is a very important method to achieve highly efficient NF-PSCs.

关键词： Polymer solar cells Random terpolymer Non-fullerene acceptor Naphtho[2,3-c]thiophene-4,9-dione Morphology

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高速铁路接触网吊弦拉扭多工况耦合力学性能

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计算机仿真 2024年第8期41卷 155-160页

作者：吕笑文刘叶诚谭海恒徐志彪五邑大学轨道交通学院广东江门529000

吊弦是电气化铁路接触网的重要组成部件,随着列车的不断提速,对高速铁路接触网吊弦提出了更高的要求。针对吊弦在拉-扭耦合应力下的服役工况,采用有限元仿真软件对其进行拉-扭多工况耦合模拟。仿真结果表明:纯扭转载荷作用下吊弦的轴向... 详细信息

吊弦是电气化铁路接触网的重要组成部件,随着列车的不断提速,对高速铁路接触网吊弦提出了更高的要求。针对吊弦在拉-扭耦合应力下的服役工况,采用有限元仿真软件对其进行拉-扭多工况耦合模拟。仿真结果表明:纯扭转载荷作用下吊弦的轴向位移及扭转角度与扭转载荷近似呈线性正相关,沿吊弦丝线截面圆周方向,等效应力呈层状分布;拉-扭耦合应力下,其扭转角随载荷的增大而增大,但应力分布无明显规律。特别地,当耦合电流作用时,拉-扭载荷作用下,吊弦丝线的局部应力显著增大,抗变形能力降低。

关键词：吊弦数值模拟力学性能拉扭耦合载流

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