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分子模拟在环糊精包合反应中的应用研究进展

食品科学 2023年第23期44卷 406-418页

作者：黄娟李陶婷于海燕陈臣袁海彬田怀香上海应用技术大学香料香精技术与工程学院上海201418

环糊精可作为主体通过超分子相互作用与客体分子形成包合物,从而起到保护或增强客体分子性质的作用。分子模拟是探究该相互作用的一种重要研究手段,在环糊精包合反应中得到了广泛的应用。本文首先对分子模拟进行概述,主要包括量子力学... 详细信息

环糊精可作为主体通过超分子相互作用与客体分子形成包合物,从而起到保护或增强客体分子性质的作用。分子模拟是探究该相互作用的一种重要研究手段,在环糊精包合反应中得到了广泛的应用。本文首先对分子模拟进行概述,主要包括量子力学、分子对接和分子动力学模拟;其次,分别总结了分子对接和分子动力学模拟的基本原理、主流软件及常用力场等,之后分别从分子结构变化表征、分子间相互作用表征、溶剂效应及协同稳定4个方面总结了其在研究环糊精包合过程中的应用进展;研究表明,疏水空腔的大小及客体在空腔内的初始方向对客体/环糊精包合物结构都有非常重要的影响;范德华相互作用是环糊精包合反应的主要推动力,分子间氢键的形成是包合物稳定的重要因素;显式溶剂模型是研究环糊精包合反应溶剂效应的有利工具;最后,作者认为对于环糊精包合过程,可从多尺度及机器学习两方面,结合分子模拟进行后续相关研究。

关键词：环糊精包合反应分子对接分子动力学模拟相互作用多尺度

Effects of low-frequency repetitive transcranial magnetic stimulation on electroencephalogram and seizure frequency in 15 patients with temporal lobe epilepsy following dipole source localization

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Neural Regeneration Research 2008年第11期3卷 1257-1260页

作者： Xiaoming Wang Deben Yang Shunxian Wang Xiaoqiong Zhao Lilan Zhang Zhiqiong chen Xiangrong Sun Research Room of Neuroelectrophysiology Institute of Neurological Diseases Hospital Affiliated to North Sichuan Medical CollegeNanchong 637000 Sichuan Province China

BACKGROUND： Low-frequency repetitive transcranial magnetic stimulation （rTMS） has been shown to significantly reduce epileptiform discharges and control clinical seizures in intractable epilepsy patients. The location of epileptic foci and magnetic stimulation sites remain uncertain. The effects of rTMS on electroencephalogram and seizure remain unclear in epileptic patients following dipole source localization. OBJECTIVE： To investigate the effects of low-frequency rTMS on electroencephalogram and seizure in temporal lobe epilepsy patients after dipole source localization. DESIGN, TIME AND SETTING： The randomized, controlled study was performed at the outpatient clinic Department of Neurology, Hospital Affiliated to North Sichuan Medical College from December 2003 to February 2007. PARTICIPANTS： A total of 30 temporal lobe epilepsy patients, comprising 19 males and 11 females, aged 1749 years, presented with epileptiform discharges and were enrolled for this study. Disease course ranged between 1-6 years, with 1-5 seizures per month. Imaging examinations revealed 11 patients with structural changes in the brain. The patients were randomly and equally assigned into drug treatment and transcranial magnetic stimulation （TMS） groups. METHODS： Patients in the drug treatment group were orally treated with carbamazepine. Patients in the TMS group received oral carbamazepine treatment of and TMS. A Maglite-r25 magnetic stimulator （Dantec Dynamics, Denmark） was used to stimulate epileptic foci in the temporal lobe following electroencephalogram dipole localization （1 Hz, 90% threshold intensity, at a stimulation frequency of 500 times, once a day, for 7 days）. MAIN OUTCOME MEASURES： At 30 days after TMS, seizure frequency and rate of epileptiform discharges were observed in patients from both groups. Therapeutic safety was investigated during treatment. RESULTS： Within 30 days of treatment, there were no significant differences in seizure frequency between the TMS group （1.

关键词： dipole localization electroencephalogram epilepsy transcranial magnetic stimulation

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类H型结构的太赫兹带阻滤波器

中国光学（中英文） 2024年第4期17卷 757-763页

作者：陈祥雪付子亲王凤超陈进杨晶上海应用技术大学理学院上海201418

本文基于对称的类H型结构设计了一种超材料太赫兹带阻滤波器,这种H型结构的连续金属臂可以流通电流。利用电磁仿真软件CST Microwave Studio 2021研究了该滤波器的滤波特性。通过改变H型双臂间距臂长、周期长度、双H间距离等,确定了滤... 详细信息

本文基于对称的类H型结构设计了一种超材料太赫兹带阻滤波器,这种H型结构的连续金属臂可以流通电流。利用电磁仿真软件CST Microwave Studio 2021研究了该滤波器的滤波特性。通过改变H型双臂间距臂长、周期长度、双H间距离等,确定了滤波器的几何参数。结果表明,该结构可实现偏振选择的功能,在y偏振条件下,滤波器在0.2~2.3 THz范围内没有明显的谐振峰,但透过率范围在-15到-3 dB之间。而在x偏振条件下,在中心频率1.34 THz处可获得FWHM带宽为0.15 THz的一个阻带,传输参数约为-30 dB。最后,采用微加工工艺制备了超材料滤波器样品以验证仿真结果,使用透射式太赫兹时域光谱系统对样品进行测试,测试结果与仿真结果吻合较好。

关键词：太赫兹超材料类H型结构带阻滤波器

PC4 serves as a negative regulator of skin wound healing in mice

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Burns & Trauma 2020年第1期8卷 310-318页

作者： Fengying Liao Long chen Peng Luo Zhongyong Jiang Zelin chen Ziwen Wang Chi Zhang Yu Wang JintaoHe Qing Wang Yawei Wang Lang Liu Yu Huang Huilan Wang Qingzhi Jiang Min Luo YiboGan Yunsheng Liu Yang Wang Jie Wu Wentao Xie Zhuo cheng Yali Dai Jialun Li Zujuan Liu Fan Yang Chunmeng Shi Institute of Rocket Force Medicine State Key Laboratory of TraumaBurns and Combined InjuryThird Military Medical University(Army Medical University)Chongqing 400038China Institute of Clinical Medicine Southwest Medical University646000 LuzhouChina Department of Toxicology Key Laboratory of Environmental Pollution Monitoring and Disease ControlMinistry of EducationGuizhou Medical University550025 GuiyangChina

Background:Human positive cofactor 4(PC4)was initially characterized as a multifunctional transcriptional cofactor,but its role in skin wound healing is still *** purpose of this study was to explore the role of PC4 in skin wound healing through PC4 knock-in mouse ***:A PC4 knock-in mouse model(PC4^(+/+))with a dorsal full-thickness wound was used to investigate the biological functions of PC4 in skin wound *** PCR,Western blot analysis and immunohistochemistry were performed to evaluate the expression of PC4;Sirius red staining and immunofluorescence were performed to explore the change of collagen deposition and *** and apoptosis were detected using Ki67 staining and TUNEL *** dermal fibroblasts were isolated from mouse skin to perform cell scratch experiments,cck-8 assay and colony formation ***:The PC4^(+/+)mice were fertile and did not display overt abnormalities but showed an obvious delay in cutaneous healing of dorsal *** staining showed insufficient re-epithelialization,decreased angiogenesis and collagen deposition,increased apoptosis and decreased cell proliferation in PC4^(+/+)*** data also showed decreased migration rate and proliferation ability in cultured primary fibroblasts from PC4^(+/+)mice in ***:This study suggests that PC4 might serve as a negative regulator of skin wound healing in mice.

关键词： Wound healing Skin PC4 Proliferation Migration Positive cofactor 4

基于氟引发串联释放的氟硼二吡咯类荧光探针的合成及其识别性能

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有机化学 2021年第1期41卷 303-309页

作者：陈曦高晨付超朱婷婷刘振江刘传祥上海应用技术大学化学与环境工程学院上海201418

以4-羟基氟硼二吡咯为荧光团,叔丁基二苯基硅基(TBDPS)作活泼羟基的保护基,设计合成了一种新颖的基于氟离子切断硅氧键,引发释放的氟硼二吡咯类氟离子荧光探针R.光谱实验研究表明,该荧光探针和氟离子作用后,紫外吸收光谱在605 nm处出现... 详细信息

以4-羟基氟硼二吡咯为荧光团,叔丁基二苯基硅基(TBDPS)作活泼羟基的保护基,设计合成了一种新颖的基于氟离子切断硅氧键,引发释放的氟硼二吡咯类氟离子荧光探针R.光谱实验研究表明,该荧光探针和氟离子作用后,紫外吸收光谱在605 nm处出现新的吸收峰,含R的溶液由橙黄色变成蓝色;荧光发射光谱中在514 nm处最大发射峰出现下降,荧光颜色由绿色变成荧光淬灭.此外,将荧光探针R应用于试纸条件下也能实现对氟离子的裸眼检测.

关键词：氟硼二吡咯荧光探针氟离子检测

制备单分散含单体O/W乳液的SPG膜乳化过程

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化工学报 2006年第4期57卷 874-879页

作者：谢锐褚良银陈文梅四川大学化工学院四川成都610065

采用Shirasu多孔玻璃(SPG)膜乳化法制备了单分散含对苯二甲酰氯(TDC)单体的O/W乳液,系统地研究了SPG膜乳化过程的影响因素.实验结果表明,采用SPG膜乳化法制备单分散O/W乳液时,选择阴离子表面活性剂比考虑亲水亲油平衡(HLB)匹配更重要;... 详细信息

采用Shirasu多孔玻璃(SPG)膜乳化法制备了单分散含对苯二甲酰氯(TDC)单体的O/W乳液,系统地研究了SPG膜乳化过程的影响因素.实验结果表明,采用SPG膜乳化法制备单分散O/W乳液时,选择阴离子表面活性剂比考虑亲水亲油平衡(HLB)匹配更重要;增大分散相或连续相的黏度,能够改善乳液的单分散性和稳定性;随着单体浓度增加,乳液的单分散性变差,液滴的平均粒径逐渐变小.当SPG膜孔径大于1.0μm左右时,可得到单分散的含TDC单体乳液;而当孔径小于1.0μm左右时,水分子更容易扩散并溶解到油水界面甚至油相内部与TDC生成对苯二甲酸(TPA),TPA积累到一定程度在油水界面上析出将膜孔堵塞,从而无法制得单分散乳液.随着乳化时间增长,乳液的平均直径逐渐变小、单分散性逐渐变差.

关键词：多孔玻璃膜膜乳化 O/W微乳液单分散性表面活性剂

构架天线四面体桁架单元精度分析与多目标优化设计

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中国空间科学技术 2023年第2期43卷 135-143页

作者：吴迪陈金宝陈传志赵将马小飞南京航空航天大学航天学院南京210016 西安空间无线电技术研究所西安710100

为了减小加工装配误差对天线桁架精度的影响,解决含随机变量的优化问题,综合考虑了杆件加工装配误差正态分布特性对精度的影响,通过最小势能原理求解得到了含杆件误差的构架天线桁架单元的平衡状态,采用蒙特卡洛方法对杆件误差变化对型... 详细信息

为了减小加工装配误差对天线桁架精度的影响,解决含随机变量的优化问题,综合考虑了杆件加工装配误差正态分布特性对精度的影响,通过最小势能原理求解得到了含杆件误差的构架天线桁架单元的平衡状态,采用蒙特卡洛方法对杆件误差变化对型面精度的影响开展了分析,得到杆件随机误差下的平均精度。为提高计算效率,建立了以杆件长度公差为设计变量、以桁架型面精度和加工成本为目标函数的代理模型,通过多目标遗传优化算法进行了公差优化设计,得到了代理模型误差小于8%的多组公差设计方案。其中平均精度最小达到了0.013 mm,并且分析结果显示腹杆影响显著大于底杆。

关键词：装配公差构架式天线多目标优化型面精度径向基函数

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Seasonal variations of phosphorus species in the Tuohe River, China. Part Ⅰ. Sediments

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Journal of Oceanology and Limnology 2018年第6期36卷 1950-1961页

作者： XU Qing YU Xiaoping GUO Yafei DENG Tianlong Tianjin Key Laboratory of Marine Resources and Chemistry College of Chemical Engineering and Materials ScienceTianjin University of Sciences and EngineeringTianjin 300457China School of Architecture and Civil Engineering Chengdu UniversityChengdu 610106China Department of Chemistry and Biochemistry Laurentian UniversitySudburyOntarioP3E 2C6Canada

Sediment cores were collected at an upstream site(Jintang) and a downstream site(Neijiang) in summer and winter in the Tuohe River, which is one of the five largest tributaries of the Changjiang(Yangtze) River in China. A sequential leaching procedure was applied to determine the concentrations of the different forms of solid phosphorus, including exchangeable phosphorus(Exc-P) as well as phosphorus associated with iron oxides(Fe-P), with aluminum oxides(Al-P), with apatite(Ca-P) and with the residual fraction(Res-P), as correlated with water content and total organic carbon. The seasonal variations and the vertical distributions of phosphorus species in sediments at both sampling sites demonstrated that: 1) total phosphorus(TP) in summer and winter were ranged between 1 313–2 330, 1 491–2 228 mg/kg in Jintang and 543–2 128, 603–1 175 mg/kg in Neijiang, respectively. It can predicated the pollution of TP in Jintang is serious than that in Neijiang both in summer and winter; 2) total inorganic phosphorus(TIP) was the dominant form of TP; 3) Ca-P was the main chemical forms of TIP in the sediments. Based on the profiles in sediments and bio-available phosphorus data, it revealed that bio-available phosphorus(BAP) represented only a minor portion(0.61%–3.59%) of TP, and the vertical distribution of soluble reactive phosphorus(SRP) in corresponding porewaters was more abundant in the upper layer of the sediment, which suggests that BAP may be converted to non-bioavailable phosphorus in deeper layer of the sediment of this dynamic system.

关键词： phosphorus species vertical distribution seasonal variation Tuohe River

一种基于细节特征的MCA多聚焦图像融合方法

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电视技术 2015年第15期39卷 1-5,27页

作者：陈杰陈荣鑫谢书童集美大学计算机工程学院福建厦门361021

针对多聚焦图像的特点,提出一种形态分量分析分解下的基于细节特征的图像融合方法。该方法首先将原图像分解成光滑部分和纹理部分。其次,为了充分体现多聚焦的纹理特征,在光滑部分采用微分算子定义的细节特征作为融合规则。最后,在纹理... 详细信息

针对多聚焦图像的特点,提出一种形态分量分析分解下的基于细节特征的图像融合方法。该方法首先将原图像分解成光滑部分和纹理部分。其次,为了充分体现多聚焦的纹理特征,在光滑部分采用微分算子定义的细节特征作为融合规则。最后,在纹理部分采用选择绝对值作为纹理部分的活跃程度的度量,使用绝对值最大法作为其融合规则。实验结果表明,该算法得到的融合图像优于其他多聚焦融合的算法。

关键词：图像融合形态分量分析光滑部分纹理部分细节特征微分算子