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The main contents include ? the foundation of MD simulation cell in Grand Canonical Ensemble;? the establishment of elastic collision mechanism between hydrogen molecules and carbon nanotube walls and arithmetic design;? molecular dynamics simulation details of hydrogen physisorption in single walled carbon nanotube arrays and program design;? the acquirement and analysis of computer simulation results, where the influences of tube diameter, distance between tubes, temperature and pressure on hydrogen physisorption in SWCNTA are investigated in detail.

主要内容为:①巨正则系综分子动力学模拟元胞的创建;②氢分子与碳纳米管壁弹性碰撞机制的建立及算法设计;③碳纳米管阵列物理吸附储氢的分子动力学模拟细节及程序设计;④计算机模拟研究结果的获取与分析,重点研究了管径、管间距、温度和压强对单壁碳纳米管阵列物理吸附储氢的影响。

The influences of the inclusion of Na~+ into each conformer (C7AB, C7"AB, C7eqB, C5A, C7axB orα"B) of AD molecule on the Ramachandran angles of molecular backbone and the hydrogen bonds in AD moiety were discussed in detail. It was found that in the forming process of bidentate structures of Na~+-AD ion-complexes, the original H-bonds in AD molecule were fully broken down, accompanying with the new formation of the two Na-O bonds.

论文中详细探讨了Na~+-AD络合离子六种构象的空间构型,分析了丙氨酸二肽与Na~+作用过程中AD分子骨架Ramachandran角及分子内N(1)–H(1)…O(2)、N(2)–H(2)…O(1)、N(1)–H(1)…N(2)和N(2)–H(2)…N(1)氢键的变化,研究发现Na~+与AD分子形成双齿结构时,AD骨架中原先的氢键全部被破坏,继而形成了两个新的Na-O键;Na~+与AD分子形成单齿络合离子时,AD骨架中原先的氢键或者得到增强或者断裂之后出现新的强度更大的氢键。

The establishment of elastic collision mechanism between hydrogen molecules and carbon nanotube walls and arithmetic design;? molecular dynamics simulation details of hydrogen physisorption in single walled carbon nanotube arrays and program design;? the acquirement and analysis of computer simulation results, where the influences of tube diameter, distance between tubes, temperature and pressure on hydrogen physisorption in SWCNTA are investigated in detail.

主要内容为:①巨正则系综分子动力学模拟元胞的创建;②氢分子与碳纳米管壁弹性碰撞机制的建立及算法设计;③碳纳米管阵列物理吸附储氢的分子动力学模拟细节及程序设计;④计算机模拟研究结果的获取与分析,重点研究了管径、管间距、温度和压强对单壁碳纳米管阵列物理吸附储氢的影响。

According to the complex structure of AdSS and its substrate IMP as well as the optimized stable conformation of natural inhibitors, the interaction mode between AdSS and its inhibitors was studied with molecular docking, mechanical optimization and molecular dynamics simulation methods. These results show that the phosphate group and the hydantoin ring of the inhibitors form the pharmacophore model.

基于腺苷酸琥珀酸合成酶与其底物肌苷单磷酸复合物的晶体结构以及获得的天然抑制剂衍生物稳定构象,利用分子对接、分子力学优化及常温分子动力学模拟对AdSS酶与天然抑制剂及其衍生物的相互作用复合物结构进行理论预测。

Progress of technology, production and application of distilled monoglyceride industry of home and abroad were reviewed.

通过对国内外分子蒸馏单甘酯工业的技术发展、生产和应用状况的简述,分析了下一个世纪我国单甘酯工业的市场前景和面临的挑战,提出了我国单甘酯工业在发展过程中应注意解决的问题。

A single ribosome,especially one that is combined with a molecule of messenger rna .

单核糖体单核糖体,尤指与信使核糖核酸的一个分子相结合的单核糖体

The resultsshowed that one electron was photochemically transfered from rich electron part inside the C〓 derivatives to C〓 football. On the other hand,two step PET took place between C〓 and additional electron donor Et〓N, and so C〓anion as well as C〓 dianion could be detected in C〓/ Et〓N system.

结果表明:C〓衍生物分子内的富电子部分与C〓区域间发生分子内光诱导的一步单电子转移过程,对比而言,C〓分子与外加给体Et〓N间可相继发生两步光诱导电子转移反应,依次生成C〓和C〓阴离子自由基。

Culture medium, water volume, root exudates of different crops, temperature, illumination affecting germination conditions of oospores of Phytophthora sojae studied in this reasch and compared the difference of germination of oospores of different race of Phytophthora sojae, filtrated the higher germination rate of strain and suitbable conditions combination of germination of oospores; The pure-line(Race 1) in virulence was obtained through isolation and culture and virulence identify of the second generation. The pure-line was analyzed by molecule method of ISSR. The results were summarized as follows:There was quite difference of germination rate of oospores on different culture medium.

本文测定了不同培养基、水量、农作物根渗出液、温度、光照对大豆疫霉菌卵孢子萌发影响,比较了大豆疫霉菌株间卵孢子萌发的差异,筛选出萌发率较高的菌株和适于卵孢子萌发的条什组合;通过继代单卵孢株分离培养和毒性鉴定,建立了大豆疫霉菌单卵孢株毒性纯系,并分析了单卵孢株毒性纯系后代群体ISSR分子指纹,结果如下: 1。

objective to evaluate the clinical effect of high myopia treated with lasik by a small optical zones flying spot scanner machine.methods 364 cases (721 eyes) of high myopia were treated with lasik by the schwind esiris laser machine with small optical flying spot scanner.the ablation zone was single zone or multi zone.the ablation depth was range of 78~187μm.all cases were followed up for 3~12 months.the changes of their visual acuities,subjective manifest refraction and complications were observed.results postoperatively,at one day and 3 month the visual acuities were 1.0 or better in 72.0%(519/721) and 81.7%(589/721).the diopter within ±1.00 was 89.7%(647/721) and 90.7%(654/721)respectively.the complications include:decentral ablation 3 eyes (0.42%),decentral flap 5 eyes (0.69%),epithelial ingrowth 5 eyes(0.69%),glare 15 eyes(2.08%).conclusion the clinical effect of high myopia treated with lasik by a small optical zones flying-spot scanner machine was safety and efficacy,although it needs more corneal tissues.

目的 评价小光斑飞点扫描式准分子激光lasik治疗高度近视的效果。方法采用德国schwind esiris准分子激光机对364例(721眼)高度近视进行了lasik治疗。切削模式采用单区或多区切削,切削总量为78~187μm。随访3~12个月,观察术后视力、屈光度和并发症等情况。结果术后裸眼视力≥1.0者,术后1天、3个月时分别为72.0%(519/721)、81.7%(589/721);术后屈光度在±1.00d以内者,术后1天、3个月时分别为:89.7%(647/721)、90.7%(654/721)。主要的并发症有:偏中心切削3眼(0.42%)、瓣位置偏离5眼(0.69%)、角膜上皮植入5眼(0.69%)、眩光15眼(2.08%)。结论小光斑飞点扫描式准分子激光lasik治疗高度近视的临床效果安全有效,但是需要切削较多的角膜组织。

The result showed that three mAbs could bind onto DAF displayed on the surface of yeast.

结果显示在酵母细胞表面能检测到与以上单抗结合的DAF分子,说明了DAF分子在酵母细胞表面呈现,并且呈现的DAF分子能正确折叠,形成了天然的构象。

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The labia have now been sutured together almost completely.The drains and the Foley catheter come out at the top.

此刻阴唇已经几乎完全的缝在一起了,排除多余淤血体液的管子和Foley导管从顶端冒出来。

To get the business done, I suggest we split the difference in price.

为了做成这笔生意,我建议我们在价格上大家各让一半。

After an hour and no pup, look for continued contractions and arching of the back with no pup as a sign of trouble.

一个小时后,并没有任何的PUP ,寻找继续收缩和拱的背面没有任何的PUP作为一个注册的麻烦。