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In this thesis,based on the DFT+NEGF first-principles method,we construct a lead-molecule-lead sandwich system with single benzene-based molecule to investigate the relationship between the structure and properties of the molecular devices and the factors that influence properties of the molecular devices.Our computational investigations on these molecular devices are primarily concentrated on the effect of contact geometry between molecules and electrodes,the effect of side groups,the effect of different torsion angle between two phenyl rings and the effect of external electric field.This thesis consists of five chapters:In Chapter one,we mainly introduce the research background and development of the molecular electronics,including the experimental fabrication of molecular electronic components and theoretical simulation methods.Afterwards we discuss the questions that need to be solved in this area.Finally,the main contents of this thesis are listed.In Chapter two,we introduce the theoretical methods used in this thesis, including the main first-principles calculation methods,i.e.,the Density-Functionmethod and nonequilibrium Green\'s function.

本论文拟采用密度泛函理论和非平衡格林函数相结合的第一性原理计算方法，选取苯基小分子作为研究对象，构建了金属电极/有机小分子/金属电极三明治结构体系，系统地研究了苯基分子器件结构的改变与分子电输运性质之间的关系以及影响分子器件电输运性质的相关因素，其中重点研究了分子与电极间可能的接触结构改变、官能团、分子间的扭转角以及外电场对苯基分子电输运性质的影响，本论文主要包括以下五个章节的内容：第一章为综述部分，主要介绍了分子电子学产生的背景、分子器件的研究意义、当前研究分子器件的实验和主要理论方法，以及目前在研究分子器件中存在的一些问题，最后给出了本论文的主要研究内容和技术路线。

Institute of Plant Protection, Anhui Academy of Agricultural Science, Hefei 230031, China Abstract: The control effect of propiconazole microcapsule to postharvest anthracnose of apple and their application techniques at 25℃ and 10℃ in storage were studied. The results showed that the difference between the control effect with spraying and soaking were significant, the control effect of fast release for propiconazole microcapsule was better than that of slow release. The control effect of fast release for propiconazole microcapsule was 100% at 25℃ in storage, and was 86.8% 10℃ in storage.

安徽农科院植物保护研究所，合肥 230031 摘要：研究了在25℃和10℃贮藏条件下释放速度分别为快、中、慢的丙环唑微胶囊剂对苹果采后炭疽病的控制效果，结果表明：浸泡处理比喷雾处理的效果要好，释放速度快的比释放速度慢的控制效果要高，在25℃贮藏条件下15d的控制效果为100%，在10℃贮藏条件下控制效果为86.8%。

The antiparasitic effect of caprylic acid against several fish parasites, i.e., the ciliate Cryptocaryon irritans, monogenean Benedenia seriolae, copepod Pseudocaligus fugu and myxosporean Kudoa shiomitsui, was examined by in vitro trials.Caprylic acid at a concentration of 1 mM had a parasiticidal effect against C. irritans theronts, B. seriolae oncomiracidia and K. shiomitsui spores and a contractile effect against B. seriolae adults, but had no clear effect against P. fugu copepodids and adults.

在体外实验中研究了辛酸对多种鱼类寄生虫的抗虫效果，如纤毛虫刺激隐核虫、单殖吸虫鰤贝尼登虫、桡足类Pseudocaligus fugu和微孢子虫库道虫。1mM的辛酸对刺激隐核虫滋养体、鰤贝尼登虫纤毛幼虫和库道虫孢子具有杀虫效果，对鰤贝尼登虫成虫有收缩效果，但对Pseudocaligus fugu的桡足幼体和成虫无明显效果。

The antiparasitic effect of caprylic acid against seeral fish parasites, i.e., the ciliate Cryptocaryon irritans, monogenean Benedenia seriolae, copepod Pseudocaligus fugu and myxosporean Kudoa shiomitsui, was examined by in itro trials.Caprylic acid at a concentration of 1 mM had a parasiticidal effect against C. irritans theronts, B. seriolae oncomiracidia and K. shiomitsui spores and a contractile effect against B. seriolae adults, but had no clear effect against P. fugu copepodids and adults.

在体外实验中研究了辛酸对多种鱼类寄生虫的抗虫效果，如纤毛虫刺激隐核虫、单殖吸虫鰤贝尼登虫、桡足类Pseudocaligus fugu和微孢子虫库道虫。1mM的辛酸对刺激隐核虫滋养体、鰤贝尼登虫纤毛幼虫和库道虫孢子具有杀虫效果，对鰤贝尼登虫成虫有收缩效果，但对Pseudocaligus fugu的桡足幼体和成虫无明显效果。

The instructive conclusion was: 1 under the vertical loading, the shear-lag effect was produced badly, more severer under concentrated loading than under uniform loading .2 the longitudinal bending deformation of the beam flange was true of the imitating plane assumption of deformation . 3 the width length ratio was confirmed as the first factor working on the shear-lag effect among all the geometric parameters;4 the shear-lag coefficient of simple-supported box-girder was severer than the continuous box-girder, the shear-lag effect in the inner supported section of continuous beam was much more severer, we need paying more attention for it in designing. 5 the non-liner characteristics of material deformation have littlie influence on shear-lag effect in BGCW. 6 the experiential calculating formulation and calculating diagram for the effective flange width was raised with the only factor of the width-span ratio., but the primary location of axis of bending moments should not be changed while calculating the inertial moment .

研究认为：1室内模型试验和空间有限元分析结果均表明波形钢腹板组合箱梁在竖向荷载作用下，翼板出现了典型的纵向应力剪滞效应。2在竖向荷载作用下，截面高度上各点纵向正应变分布认为可符合"拟平截面假定"，以此作为波形钢腹板组合箱梁抗弯计算的基本假定。3箱梁宽跨比是影响波形钢腹板组合箱梁翼板剪滞效应的主要因素。4连续波形钢腹板组合箱梁的翼板剪滞系数大于简支梁，且连续箱梁内支点截面翼板剪滞效应相当严重，对此需十分重视。5当混凝土翼板受力由弹性阶段进入弹塑性阶段时，材料的非线性特性对翼板的剪滞效应影响甚微。6提出了根据组合箱梁的宽跨比参数来计算翼板有效宽度比的经验公式和计算图表，但箱梁截面抗弯惯性矩的计算不应改变原先的截面中和轴位置。

Tested results and analysis show: seed condition has a significant effect on bulk density, a comparatively significant effect on drag coefficient, and little effect on particle density and restitution coefficient of rice seed; moisture content significantly affects bulk density, particle density and drag coefficient of coated rice seed; variety of seed has little effect on the properties of coated rice seed.

试验结果和分析表明：稻种状态对容积密度影响显著，对漂浮系数影响比较显著，对籽粒密度和恢复系数影响较小；含水率对包衣稻种的容积密度、业粒密度和漂浮系数影响显著；品种对包衣稻种的物理特性影响较小。

Exogenous E2 alone has no effect on cell viability and apoptosis of H9C2 cells, but it can decrease the sensitivity of H9C2 cells to H_2O_2,hence,protect cells against apoptosis caused by oxidative stress.2Exogenous E_2 has downregulation effect on TβRⅠand TβRⅡof H9c2 cells,blocking ER may delete this effect of estradiol.H9c2 cells express ERβonly,suggests that E_2 may exert modulating effect on TGF-βpathway through ERβ.

外源性E2本身并不能影响H9c2细胞凋亡，但能够降低H9c2细胞对H_2O_2的敏感性，保护细胞抵抗氧化应激引起的凋亡。2外源性E2对H9c2细胞的TβRⅠ以及TβRⅡ具有下调作用，阻断ER可消除E2对TβRⅠ和TβRⅡ的下调作用；E2可进一步通过TGF-β通路降低受体后磷酸化smad2/3的水平；H9c2细胞仅表达ERβ，提示E2可能是通过ERβ发挥其对TGF-β通路的调控作用。

Four main formations of loop bedding in Jiyang sub-basin were upper layers fall down in the process of earthquake, tautening distortion due to earthquake, the frication of earthquake-related surface of fault and the effect of redox and diffuse other formations of loop bedding comprise the effect of earthquake wave, the effect coming from circumrotate of globosity rotation, snowball function, cementation intermittent, the effect of biology, and so on.

综合分析认为震动塌落、震动拉伸变形、地震断裂面的摩擦作用、氧化还原反应和扩散作用是环状层理的主要成因，前三种成因的环状层理往往与其他震成构造伴生，可作为震积岩的良好标志。环状层理的其他成因还包括：地震波传播方式的影响、地球自转产生的涡旋的影响、"滚雪球"效应、间歇胶结作用以及生物成因等。

Mian colors achieving high speed single way rainbow and scrolling effect 0-100% mechanical linear dimming (tunable from full blanking to full opening effect) Mechanical linear DIMMER and 1-10 times/s high speed STROBE effect Horizontal 450°and vertical 250°scanning range, smooth scanning action and accurate orientation Precise adjustment on horizontal and vertical position Precise speed adjustment on horizontal and vertical position Pattern internal light rotating function,freely adjusting fast , low speed , clockwise and anticlockwise GOBO position adustment Automatic focusing function 3 Prism effect, prism colorwise and anticolorwise rotating Built-in over heat protection and high voltage protection 2 convection cooling-fan,optimize internal air duct way, heat elimination rapidely Compatible with DMX512 international digital singal PFC power factor compensation According to various kinds of safety standards, IP20 protect grades, The cable accords to the CE20/22 standard

PERFORMANCE TRAIT 8种主色彩，同时可作高速单向滚动效果 0-100%机械线性调光（可控制全遮光到全开光效果） 1-10次/秒超高速频闪调整效果水平540度，垂直250度扫描范围，动作平滑、流畅、定位准确水平、垂直运动位置可精确调整位置水平、垂直运动位置速度可调功能旋转图案可正反、快慢自由调节旋转图案角度可单独调整采用电子自动对焦，图案远近均清晰度可自由调整三棱镜及棱镜正、反自由旋转功能二只对流风扇致冷，内部优化风路设计，散热充分良好内置过热保护、触发高压保护接受DMX512国际标准数码信号 PFC功率因素补偿符合各种安全标准，IP20保护等级，电源线符合CE20/22标准

The article analysed the industry below the setting that appreciates in yen the long-term effect of abroad move and short-term effect, emphasize Japanese estate particularly the effect that the long-term effect of abroad move changes hollowly to the industry.

本文分析了在日元升值的背景下产业海外转移的长期效应和短期效应，特别强调日本产业海外转移的长期效应对产业空心化的影响。

Listen,point and check your answers.

听，指出并且检查你的答案。

Warming needle is one of effective treatment methods for knee arthralgia aggravated by cold,and it is simple,safety,so it should be developed in clinical acupuncture and moxibustion extensively.

但以本院科针灸门诊在2005年1月—2006年6月期间共收治膝痛患者100余例，经过临床的诊断后，其中施以温针治疗的48例，疗效显著，报道如下。1临床资料本组病例48