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天津宝坻新台FHD-2B质子矢量磁力仪运行质量和干扰分析
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作者 赵黎明 龚永俭 +1 位作者 张聪聪 李越 《高原地震》 2024年第2期21-27,共7页
以天津宝坻新台FHD-2B质子矢量磁力仪为例,分析了其运行质量和干扰情况。从观测数据的连续率和有效率,观测数据背景噪声和数据一致性,数据变化动态及主要干扰等方面进行了分析研究。结果表明:宝坻新台地磁FHD观测数据的连续性和有效率较... 以天津宝坻新台FHD-2B质子矢量磁力仪为例,分析了其运行质量和干扰情况。从观测数据的连续率和有效率,观测数据背景噪声和数据一致性,数据变化动态及主要干扰等方面进行了分析研究。结果表明:宝坻新台地磁FHD观测数据的连续性和有效率较高;仪器背景噪声较大,高于全台网噪声平均值;在日常观测中,主要受到高压直流输电、地磁暴和主机故障等干扰。研究结果对同类台站同类仪器数据分析应用具有借鉴意义。 展开更多
关键词 FHD-2B质子矢量磁力仪 运行质量 环境干扰
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温泉台FHD-2B质子磁力仪资料干扰分析 被引量:7
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作者 邹广 高守全 +2 位作者 赵刚 冯英 盛琰 《内陆地震》 2015年第4期371-377,共7页
为了实现对地磁数据的实时监控,及时发现异常,提高地磁数据的质量,本文对温泉地磁干扰因素产生的数据进行特征分析和定量分析,并提出了相应的解决方法。通过分析,总结了近年来影响地磁仪资料的主要干扰因素,结果有:地磁房潮湿干扰,仪器... 为了实现对地磁数据的实时监控,及时发现异常,提高地磁数据的质量,本文对温泉地磁干扰因素产生的数据进行特征分析和定量分析,并提出了相应的解决方法。通过分析,总结了近年来影响地磁仪资料的主要干扰因素,结果有:地磁房潮湿干扰,仪器故障及检修,线圈漏电干扰,仪器参数偏离的影响等。 展开更多
关键词 FHD-2B质子磁力仪 干扰 地磁观测资料
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永安台FHD-2B型质子磁力仪观测概况与仪器维护 被引量:3
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作者 全建军 夏忠 +3 位作者 刘礼诚 陈珊桦 刘水莲 陈美梅 《地震工程学报》 CSCD 北大核心 2015年第B07期101-107,共7页
通过对永安台FHD-2B型质子磁力仪运行3年来观测概况的介绍,总结日常观测过程中可能遇到的仪器故障或问题,并初步探讨解决仪器问题的经验办法,以提高仪器维护的质量。
关键词 永安地震台 FHD-2B型质子磁力仪 观测概况 仪器维护
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FHD-2B型质子磁力仪数据采集故障原因分析 被引量:2
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作者 刘其寿 李远兴 +3 位作者 赖福霖 王绍然 杨佩琴 郑永通 《大地测量与地球动力学》 CSCD 北大核心 2010年第B11期116-118,122,共4页
FHD-2B型质子磁力仪是按照中国地震局"十五"规程研制的地震前兆观测仪器,它通过IP接口接入前兆服务器,完成数据自动采集。通过分析该仪器在数据采集过程中出现空值的问题,总结从仪器回传数据的方法,并提出远程控制解决方案。
关键词 FHD-2B型质子磁力仪 前兆仪器 数据采集 故障分析 远程控制
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腰椎及膝关节磁共振成像T2及质子密度加权图像质控因素探讨 被引量:4
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作者 黎丽 刘干辉 +2 位作者 赵国栋 廖学清 陈琳 《中国现代医药杂志》 2018年第3期11-15,共5页
目的通过前瞻性实验设计调整扫描参数回波链长度、接收带宽、采集矩阵并回顾性分析图像质量从而探讨腰椎T2加权像及膝关节质子密度加权像扫描中的质控因素。方法对30例志愿者进行磁共振腰椎和膝关节扫描,扫描序列为FRFSE,腰椎扫描通过... 目的通过前瞻性实验设计调整扫描参数回波链长度、接收带宽、采集矩阵并回顾性分析图像质量从而探讨腰椎T2加权像及膝关节质子密度加权像扫描中的质控因素。方法对30例志愿者进行磁共振腰椎和膝关节扫描,扫描序列为FRFSE,腰椎扫描通过设置两组不同的回波链长度和接收带宽,每次只改变一个参数,共采集四组图像;膝关节扫描只进行扫描矩阵的变化获得两组图像。所用设备为GE公司Signa 1.5T HDxt磁共振扫描仪。结果不同回波链长度、不同接收带宽都会影响所获得的腰椎T2加权像对比度和锐利度,而不同矩阵设置膝关节扫描也会获得不同锐利度的质子密度图像。结论在进行腰椎及膝关节等成像过程中,通过设置不同的扫描参数可以获取对比度、清晰度具有明显差异的图像。 展开更多
关键词 磁共振成像 腰椎和膝关节 T2质子密度加权
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昔阳台FHD-2B质子矢量磁力仪背景噪声超标原因分析及降噪措施 被引量:2
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作者 吕永青 张亮娥 +1 位作者 宫静芝 王振江 《山西地震》 2020年第4期26-28,32,共4页
针对昔阳地震台FHD-2B质子矢量磁力仪背景噪声值超标的情况,从观测环境、供电、配谐不精确、设备老化等方面查找原因后,采取多种措施来降低仪器背景噪声值,最终达到观测规范的要求。该文提出的FHD-2B质子矢量磁力仪背景噪声值降低方案... 针对昔阳地震台FHD-2B质子矢量磁力仪背景噪声值超标的情况,从观测环境、供电、配谐不精确、设备老化等方面查找原因后,采取多种措施来降低仪器背景噪声值,最终达到观测规范的要求。该文提出的FHD-2B质子矢量磁力仪背景噪声值降低方案可为其他观测台站解决此类问题提供参考。 展开更多
关键词 FHD-2B质子矢量磁力仪 背景噪声 解决方案
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流感病毒M2质子通道抑制机理的计算化学模拟和理论分析
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作者 秦艳 谢能中 +1 位作者 杜奇石 黄日波 《广西科学院学报》 2014年第4期289-293,共5页
【背景】A型流感病毒的M2质子通道蛋白的X-ray和NMR结构已于2008年测定,并成为发展抗流感的重要药物靶标,但学术界对于抑制剂的作用机理尚有争论。【方法】用SYBYL软件作M2通道蛋白与金刚烷胺抑制剂的对接计算,在可能的对接位点(Asp-44,... 【背景】A型流感病毒的M2质子通道蛋白的X-ray和NMR结构已于2008年测定,并成为发展抗流感的重要药物靶标,但学术界对于抑制剂的作用机理尚有争论。【方法】用SYBYL软件作M2通道蛋白与金刚烷胺抑制剂的对接计算,在可能的对接位点(Asp-44,Trp-41,His-37)上用精确的量子化学方法计算对接能,并根据结构化学和物理化学的原理分析抑制剂的作用机理。【结果】计算了金刚烷胺与M2质子通道的多个可能的结合位点的结合能,包括His-37,Trp-41和Asp-44。【结论】金刚烷胺对M2的抑制是一个动态过程,可能有多个位点结合。金刚烷胺穿透细胞膜后在通道出口与Asp-44形成盐桥,质子流使盐桥解离,金刚烷胺再进入通道与芳香氨基酸Trp-41(或His-37)形成阳离子-键。 展开更多
关键词 流感病毒 金刚烷 M2质子通道 抑制机理
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超薄CsH_2PO_4/SiO_2复合质子交换膜的制备 被引量:1
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作者 艾明欢 李海滨 《材料导报》 EI CAS CSCD 北大核心 2012年第4期39-41,共3页
采用溶胶-凝胶工艺及旋转涂膜法制得厚度为800nm的CsH2PO4/SiO2复合质子交换膜,利用X射线衍射仪与傅里叶变换红外光谱仪分析该膜的晶相和化学构造。通过扫描电镜观察,确认该膜致密、均匀,并且CsH2PO4晶粒分散于膜中。在80~280℃的温区... 采用溶胶-凝胶工艺及旋转涂膜法制得厚度为800nm的CsH2PO4/SiO2复合质子交换膜,利用X射线衍射仪与傅里叶变换红外光谱仪分析该膜的晶相和化学构造。通过扫描电镜观察,确认该膜致密、均匀,并且CsH2PO4晶粒分散于膜中。在80~280℃的温区、低湿度环境下,测定该复合质子交换膜的质子传导性能,其质子传导面阻在160℃时为0.1Ω.cm2。 展开更多
关键词 质子交换膜CsH2PO4 溶胶-凝胶 燃料电池
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磁共振重质子T_(2)WI用于儿童外伤性膝关节损伤的诊断价值 被引量:1
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作者 刘聪 孙连超 《影像研究与医学应用》 2023年第21期88-90,共3页
目的:分析磁共振重质子T_(2)WI用于儿童外伤性膝关节损伤的诊断价值。方法:选取2021年6月—2023年6月聊城市妇幼保健院诊治的疑似儿童外伤性膝关节损伤患儿50例,均接受磁共振重质子T_(2)WI检查、多层螺旋CT检查。以手术病理学结果为金标... 目的:分析磁共振重质子T_(2)WI用于儿童外伤性膝关节损伤的诊断价值。方法:选取2021年6月—2023年6月聊城市妇幼保健院诊治的疑似儿童外伤性膝关节损伤患儿50例,均接受磁共振重质子T_(2)WI检查、多层螺旋CT检查。以手术病理学结果为金标准,对比磁共振重质子T_(2)WI与多层螺旋CT的诊断效能及损伤类型的检出率,观察影像学表现。结果:50例疑似外伤性膝关节损伤患儿经手术病理学检出阳性38例、阴性12例。磁共振重质子T_(2)WI诊断准确率为94.00%、灵敏度94.74%、特异度91.67%、阳性预测值97.30%及阴性预测值84.62%均高于多层螺旋CT检查的72.00%、78.95%、50.00%、83.33%、42.86%(P<0.05)。外伤性膝关节损伤患儿的影像学表现:20例半月板损伤中T_(2)WI为较高信号;5例韧带损伤中T_(2)WI为高信号;8例骨质损伤中T_(2)WI为高信号或低信号,甚至出现信号中断现象;3例关节腔积液中上层T_(2)WI呈低信号,中间T_(2)WI呈高信号,最下层T_(2)WI呈低信号。结论:磁共振重质子T_(2)WI成像用于儿童外伤性膝关节损伤的诊断效果良好,有利于提高诊断准确率、灵敏度及特异度,明确膝关节损伤类型,为疾病诊断及治疗方案的制定提供参考依据,临床可进一步推广应用。 展开更多
关键词 儿童外伤性膝关节损伤 磁共振重质子T_(2)WI 诊断效能 影像学表现
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质子交换膜燃料电池建模及其PID控制 被引量:15
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作者 李奇 陈维荣 +2 位作者 贾俊波 CHAM Yew Thean 韩明 《电源技术》 CAS CSCD 北大核心 2008年第9期592-595,602,共5页
针对目前质子交换膜燃料电池(PEMFC)模型难以适用于控制系统的设计,提出利用Matlab-Simulink仿真工具对PEMFC进行系统动态模型建立,并在此基础上采用比例积分微分(PID)算法控制其输出电压。仿真结果表明该模型较好地反映出PEMFC系统的... 针对目前质子交换膜燃料电池(PEMFC)模型难以适用于控制系统的设计,提出利用Matlab-Simulink仿真工具对PEMFC进行系统动态模型建立,并在此基础上采用比例积分微分(PID)算法控制其输出电压。仿真结果表明该模型较好地反映出PEMFC系统的动态特性,有助于改善PEMFC的设计,提高其性能,而且PID算法能够较好地实现对PEMFC系统的控制,可适用于控制系统的设计。 展开更多
关键词 2质子交换膜燃料电池 动态模型 动态仿真 比例积分微分控制
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The Role of Predominant Expression of Th2 Type Cytokines Gene in the Genesis and Development of Human Gliomas 被引量:1
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作者 李刚 胡永生 +3 位作者 李新钢 张庆林 贾德泽 宫崧峰 《The Chinese-German Journal of Clinical Oncology》 CAS 2003年第4期227-230,252,253,共6页
Objective: To explore the expression of Th1/Th2 cytokines gene in human gliomas and its role in the genesis and development of human gliomas.Methods: Using IL-2 and IFNγ as Th1 type cytokines, IL-4, IL-6 and IL-10 as... Objective: To explore the expression of Th1/Th2 cytokines gene in human gliomas and its role in the genesis and development of human gliomas.Methods: Using IL-2 and IFNγ as Th1 type cytokines, IL-4, IL-6 and IL-10 as Th2 type cytokines, the biological activity of cytokines in the supernatant of glioma cell lines was assayed by ELISA method, and the gene expression of Th1/Th2 cytokines in human glioma cells, glioma infiltrating lymphocytes and glioma cell lines were detected by RT-PCR.Results: There was predominant expression of Th2 type cytokines in human glioma cells, glioma infiltrating lymphocytes and glioma cell lines, but there was no such expression in normal brain tissues.Conclusion: It suggested that there is a relationship between the Th2 type cytokines expression in human gliomas and the immunosupressive status of human glioma patients. The predominant expression of Th2 type cytokines may play an important role in the genesis and development of human gliomas. Key words glioma - Th1/Th2 - gene expression - RT-PCR This project was supported by a grant from National Natural Sciences foundation of China (No. 30271335). 展开更多
关键词 GLIOMA TH1/TH2 gene expression RT-PCR
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A型流感病毒M2膜蛋白两亲性螺旋构象变化的FRET研究 被引量:1
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作者 李俊北 仇晓琰 《生物化学与生物物理进展》 SCIE CAS CSCD 北大核心 2016年第8期796-800,共5页
A型流感病毒膜质子通道M2是一个重要的抗流感药物靶点,其通道功能与蛋白质构象变化紧密相关.M2跨膜螺旋结构与功能的研究已经取得了显著进展,但其膜内碳端两亲性螺旋的构象变化与M2功能的关系尚不明确.在这个两亲性螺旋中引入能与跨膜... A型流感病毒膜质子通道M2是一个重要的抗流感药物靶点,其通道功能与蛋白质构象变化紧密相关.M2跨膜螺旋结构与功能的研究已经取得了显著进展,但其膜内碳端两亲性螺旋的构象变化与M2功能的关系尚不明确.在这个两亲性螺旋中引入能与跨膜域色氨酸形成福斯特共振能量转移(FRET)作用的非天然氨基酸Phe CN,以便研究通道激活或抑制后M2蛋白膜内部分的构象变化.在酸性环境通道激活的条件下,两亲性螺旋与跨膜螺旋间的距离增大,其增大幅度基本不受药物抑制通道活性的影响.由此推测两亲性螺旋的构象变化与通道活性无关,反而很可能与M2在病毒出芽过程中的作用相关. 展开更多
关键词 M2质子通道 两亲性螺旋 构象变化 荧光强度
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Effect of ultrasonic on structure and electrochemical performance of α-Ni(OH)_2 electrodes 被引量:2
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作者 张仲举 朱燕娟 +3 位作者 包杰 周卓均 叶贤聪 许庆盛 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2011年第12期2654-2659,共6页
Al/Co co-doped α-Ni(OH)2 samples were prepared by either ultrasonic co-precipitation method (Sample B) or co-precipitation method (Sample A). The crystal structure and particle size distribution of the prepared... Al/Co co-doped α-Ni(OH)2 samples were prepared by either ultrasonic co-precipitation method (Sample B) or co-precipitation method (Sample A). The crystal structure and particle size distribution of the prepared samples were examined by X-ray diffraction (XRD) and laser particle size analyzer, respectively. The results show that Sample B has more crystalline defects and smaller average diameter than Sample A. The cyclic voltammetry and electrochemical impedance spectroscopy measurements indicate that Sample B has better electrochemical performance than Sample A, such as better reaction reversibility, lower charge-transfer resistance and better cyclic stability. Proton diffusion coefficient of Sample B is 1.96×10-10cm2/s, which is two times as large as that (9.78×10-11cm2/s) of Sample A. The charge-discharge tests show that the discharge capacity (308 mA·h/g) of Sample B is 25 mA·h/g higher than that of Sample A (283 mA·h/g). 展开更多
关键词 Al/Co co-doped α-Ni(OH)2 ultrasonic co-precipitation method proton diffusion coefficient charge-transfer resistance electrochemical performance
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Structural characteristics of spherical Ni(OH)_2 and its charge/discharge process mechanism 被引量:2
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作者 彭美勋 沈湘黔 +1 位作者 王零森 危亚辉 《Journal of Central South University of Technology》 2005年第1期5-8,共4页
Spherical Ni(OH)2 particles were prepared by an aqueous solution precipitation route. The structure of spherical Ni(OH)2 was investigated by scanning electron microscopy and transmission electron microscopy and co... Spherical Ni(OH)2 particles were prepared by an aqueous solution precipitation route. The structure of spherical Ni(OH)2 was investigated by scanning electron microscopy and transmission electron microscopy and compared with that of traditional Ni(OH)2. The results show that the spherical nickel hydroxide consists of (Ni(OH)2) spheres with a reticulate structure of platelet-like, which is almost arranged radially and the crystalline grains intervene and connect with each other to form a three-dimensional net. The spherical Ni(OH)2 particle is full of pores, crannies between cleave planes. It is supposed that this structure is beneficial to the structural stability for the spherical particles during the charge/discharge processes and can improve the cycle life of the electrode; the pores and the crannies in spherical particles can shorten the proton diffusion distance and speed its velocity, which may result in that the local polarization is lowered. The electrochemical performances of the spherical Ni(OH)2 are improved by enhancing the conducting properties of the crystalline lattice due to its quick proton diffusion. 展开更多
关键词 structure CRYSTALLINITY spherical Ni(OH)_2 proton diffusion charge/discharge process
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Structural and Electronic Properties of Li2Mg(NH)2 for Hydrogen Storage: First-principles Study
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作者 刘华 张永红 黄世萍 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2010年第1期5-10,I0001,共7页
The structural and electronic properties of Li2Mg(NH)2 for hydrogen storage have been studied by first-principles calculation. The optimal unit cell parameters and the distance of N-H are determined, which are in go... The structural and electronic properties of Li2Mg(NH)2 for hydrogen storage have been studied by first-principles calculation. The optimal unit cell parameters and the distance of N-H are determined, which are in good agreement with the experimental data. The bulk modules and the energies of zero pressure are obtained by using Murnaghan equation of states. The results show that the α-Li2Mg(NH)2 is a ground state configuration. The overlap population analysis shows that the N-Li/Mg ionic characteristics and N-H interaction of αphase are weaker than those of βphase. The valence band is dominated by the presence of N s and p states, hybridized with the H s state. 展开更多
关键词 Hydrogen storage material Electronic structure First-principles calculation
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文安地震台FHD质子磁力仪噪声干扰分析 被引量:1
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作者 王秋根 吝利民 +1 位作者 张聪聪 张庆扬 《地震科学进展》 2023年第7期303-308,335,共7页
文安台FHD-2B质子磁力仪噪声值在2020—2021年出现地磁F分量观测数据噪声偏大。其噪声与环境温度存在高相关性,表现为冬季噪声大,夏季噪声小的现象。我们依次对磁房周围环境、供电电压、接地电阻、供电线路是否漏电、探头是否漏油、工... 文安台FHD-2B质子磁力仪噪声值在2020—2021年出现地磁F分量观测数据噪声偏大。其噪声与环境温度存在高相关性,表现为冬季噪声大,夏季噪声小的现象。我们依次对磁房周围环境、供电电压、接地电阻、供电线路是否漏电、探头是否漏油、工频干扰等进行排查,未能发现明显干扰源。通过研究FHD质子磁力仪的原理发现,FHD质子磁力仪的配谐电容C容量会随温度变化,温度低时容量小,温度高时容量大。配谐电容C容量变化会影响振荡回路中心频率f_(0),导致噪声增大。由于文安台FHD质子磁力仪噪声与温度有关联,我们推测FHD噪声增大可能与仪器配谐电容C容量变化有关。通过调节探头电感量L可修正配谐电容容量变化对回路中心频率f_(0)的影响。经多次实验,精细调整探头电感量L,当选定34.4 mH为探头电感量值时,发现地磁F分量的噪声值明显下降,数据曲线变光滑,噪声干扰排除。 展开更多
关键词 FHD-2B质子磁力仪 数据噪声 电感量
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红山地震台地磁GM4仪与FHD-2B仪观测资料对比分析 被引量:5
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作者 贾华 高登平 +2 位作者 王利兵 胡秀娟 陈凯男 《地震地磁观测与研究》 2015年第3期98-104,共7页
通过对2013年红山地震台地磁GM4磁通门磁力仪与FHD-2B质子矢量磁力仪产出的观测资料进行对比,系统分析两套仪器分均值、日均值和基线值的变化趋势,并对仪器背景噪声做相应对比,认为观测数据变化趋势一致,而GM4仪观测精度较大。
关键词 GM4磁通门磁力仪 FHD-2B质子矢量磁力仪 对比分析
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Study on the effect of doxorubicin on expressions of genes encoding myocardial sarcoplasmic reticulum Ca^2+ transport proteins and the effect of taurine on myocardial protection in rabbits 被引量:12
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作者 黄先玫 朱卫华 康曼丽 《Journal of Zhejiang University Science》 CSCD 2003年第1期114-120,共7页
To investigate the effect of doxorubicin(DOX) on gene expression of the myocardial sarcoplasmic reticulum (SR)Ca 2+ transport proteins and the mechanism of taurine(Tau) protecting cardiac muscle cells, 9 rabbits... To investigate the effect of doxorubicin(DOX) on gene expression of the myocardial sarcoplasmic reticulum (SR)Ca 2+ transport proteins and the mechanism of taurine(Tau) protecting cardiac muscle cells, 9 rabbits were injected with DOX , 8 rabbits with DOX and Tau, and 9 rabbits with normal saline. Cardiac function , concentration of calcium in cardiomyocytes (Myo[Ca 2+ ] \%i\%), activity of SR Ca 2+ ATPase(SERCA2a), level of SERCA2a mRNA and Ca 2+ released channels(RYR2)mRNA were detected. The left ventricle tissues were observed by electron microscopy. The results showed that cardiac index, left ventricular systolic pressure, activity of SR Ca 2+ ATPase and level of SERCA2a mRNA decreased , while Myo[Ca 2+ ] \%i\% increased in DOX treated rabbits. DOX could not affect the level of RYR2 mRNA. Tau intervention could alleviate the increase of left ventricular diastolic pressure, Myo[Ca 2+ ] \%i\% and the decrease of SERCA2a mRNA induced by doxorubicin. The results suggested that downregulation of SERCA2a gene expression was an important mechanism of DOX induced cardiomyopathy and that Tau could partially improve the heart function by reducing calcium overload and alleviating downregulation of SERCA2a mRNA. 展开更多
关键词 DOXORUBICIN Ca 2+ ATPase Ryanodine receptor TAURINE Gene expression
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Excited-State Double Proton Transfer of 1,8-Dihydroxy-2-Naphthaldehyde:a MS-CASPT2//CASSCF Study
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作者 Bin-Bin Xie Ke-Xin Wang +2 位作者 Pei-Ke Jia Xiang-Yang Liu Ganglong Cui 《Chinese Journal of Chemical Physics》 SCIE EI CAS CSCD 2022年第3期422-430,I0001,共10页
Excited-state double proton transfer(ESDPT)is a controversial issue which has long been plagued with theoretical and experimental communities.Herein,we took 1,8-dihydroxy-2-naphthaldehyde(DHNA)as a prototype and used ... Excited-state double proton transfer(ESDPT)is a controversial issue which has long been plagued with theoretical and experimental communities.Herein,we took 1,8-dihydroxy-2-naphthaldehyde(DHNA)as a prototype and used combined complete active space selfconsistent field(CASSCF)and multi-state complete active-space second-order perturbation(MS-CASPT2)methods to investigate ESDPT and excited-state deactivation pathways of DHNA.Three different tautomer minima of S1-ENOL,S1-KETO-1,and S1-KETO-2 and two crucial conical intersections of S1 S0-KETO-1 and S1 S0-KETO-2 in and between the S0 and S1 states were obtained.S1-KETO-1 and S1-KETO-2 should take responsibility for experimentally observing dual-emission bands.In addition,two-dimensional potential energy surfaces(2 D-PESs)and linear interpolated internal coordinate paths connecting relevant structures were calculated at the MS-CASPT2//CASSCF level and confirmed a stepwise ESDPT mechanism.Specifically,the first proton transfer from S1-ENOL to S1-KETO-1 is barrierless,whereas the second one from S1-KETO-1 to S1-KETO-2 demands a barrier of ca.6.0 kcal/mol.The linear interpolated internal coordinate path connecting S1-KETO-1(S1-KETO-2)and S_(1) S0-KETO-1(S1 S0-KETO-2)is uphill with a barrier of ca.12.0 kcal/mol,which will trap DHNA in the S_(1) state while therefore enabling dual-emission bands.On the other hand,the S1/S0 conical intersections would also prompt the S_(1) system to decay to the S_(0) state,which could be to certain extent suppressed by locking the rotation of the C5-C8-C9-O10 dihedral angle.These mechanistic insights are not only helpful for understanding ESDPT but also useful for designing novel molecular materials with excellent photoluminescent performances. 展开更多
关键词 Excited-state double proton transfer 1 8-Dihydroxy-2-naphthaldehyde MS-CASPT2//CASSCF
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Preparation and H_2O_2oxidation of extract 被引量:3
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作者 Tian Yujiao Qin Zhihong Li Baomin 《International Journal of Mining Science and Technology》 SCIE EI 2012年第5期731-734,共4页
Tongting coal(TTC) was exhaustively extracted with carbon disulfide and N-melthy-2-pyrolidinone(CS 2 /NMP) mixed solvents to afford brown particles of extract,which was characterized with proximate analyzer,transmissi... Tongting coal(TTC) was exhaustively extracted with carbon disulfide and N-melthy-2-pyrolidinone(CS 2 /NMP) mixed solvents to afford brown particles of extract,which was characterized with proximate analyzer,transmission electron microscope(TEM) and Fourier transform infrared(FTIR) spectrometer.The results show that the nanometer particles of extract,which were free of ash,are superfine and superclean with tract content of 0.02% A d and particles size of about 100-150 nm.TTC and extract were then subject to oxidation with H 2 O 2 and oxidation products were subsequently analyzed with FTIR and gas chromatography/mass spectrometer(GC/MS).The results show that extract is more reactive with H 2 O 2 in comparison to TTC and richer in oxygen-containing species including phenols,alcohols,ethers,esters,carboxylic acids and anhydrides. 展开更多
关键词 Extract H 2 O 2 Preparation Oxidation Oxygen-containing species
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