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To introduce perturbation corrections of lattice strain intosemiempirical MO calculations,we have written out the programs,STRAIN+SPHF,for calculating perturbation corrections of lattice strain,based onsemiempirical MO calculation program package MOPAC3.0.In principle,the theoretical method and program for calculating corrections of latticestrain can be employed for the studies of growth mechanisms for diamondfilms or other non-metallic films on any non-metallic heterogenic substrates.

运用引入晶格应变修正的AM1半经验分子轨道方法和不包含该修正的AM1方法，通过在Si(100)和(111)衬底表面上提取H原子以及CH3和C2H2吸附过程的计算比较研究，发现包含应变修正的结果比不包含该修正的结果更准确地描述了Si衬底上发生的化学反应过程，并且还能够揭示出无应变修正结果中没有揭示出的表面物理化学现象。

When the readily available homochiral alcohols were used as substrates, highly optically active products 4-vinyl-2-oxazolidinones were easily obtained.

在这个基础上，我们利用手性底物出发进行了手性诱导的反应研究，在两价钯的催化下能够以很好的收率得到光学纯的产物。

These compounds are of substantial interest both inviewpoints of theory and practical applications, mainlyunder the stimulus to achieve synthetic models either foractive sites of iron-sulfur proteins or for transitionmetal catalysts. This thesis describes the synthesis, structures andconformations of 51 new iron-sulfur cluster complexes,which have been characterized by elemental analysis andstandard spectroscopic methods. In addition, single-crystalX-ray diffraction analyses were performed for 4 representa-tive new compounds. Reactivities of μ-〓 with mono- and di- Grig-nard reagents derived intermediates toward various organicelectrophilic substrates were studied, along with complexa-tion of arynyl-containing iron-sulfur clusters by 〓Thus, several bridged, non-bridged, monomeric, dimeric,homonuclear, heteronuclear iron-sullfur and iron-sulfur co-balt-carbon cluster complexes were synthesized. A novelreaction and convenient route for the synthesis in highyield of tetranuclear iron complexes 〓 containing atetracoordinated sulfur atom was discovered, whereas aplausible mechanism based on experimental results was propo-sed for the formation of the new cluster type.

鉴于有机铁硫原子簇化学在基础理论发展和应用方面的重要意义，因此我们开展了这一课题的研究，并取得以下主要成果： 1、本文共合成了51个新有机铁硫及含钴碳簇基的有机铁硫原子簇配合物，除用元素分析，NMR，IR，MS法表征其结构和构象外，还用X-光衍射技术测得四个代表性配合物的单晶结构和构象； 2、我们业已发现炔基Grignard试剂同〓可形成一种&开环&与&闭环&中间物的平衡混合物，研究该平衡混合物同各种亲电试剂的反应； 3、研究发现了一种可高产率地形成〓含〓四配位硫挛合簇的新化学反应并对此反应提出了—种有趣的反应机理； 4、首次由1，4-二溴丁烷双Grignard试剂与〓制得一种新型铁硫簇双硫阴离子活性中间体，并进而研究了它的亲核反应性能； 5、找到了通过〓的光化学反应来合成簇合物〓-〓的一条有实用价值的新路线。

By testing the material's hydroscopic properties, hygroscopic property, moisture vaporizing and moisture retention, we analyzed the effects of configuration of the substrates on the environmental behavior.

从材料的吸水性、吸湿性、水分蒸发性和保水性等方面探讨了纤维原料的单体纤维形态、材料面密度、蓬松度等因素对基材环境学特性的影响。

Additionally, the spontaneous decomposition from (220) surfaces to {112} facets is confirmed and irrelated to the substrates adopted. The effects of Ga content on lattice vibration modes are discussed in the quaternary 〓 films firstly.

系统地研究了不同硒化温度和退火时间以及Ga含量x等因素对薄膜性能的影响，证实了（220）自发分解现象，而且这种自发分解现象并不受衬底的影响。

The results showed that expression plasmid pET22b-lysB was constructed successfully. Highly purified recombination protein was obtained 33.2 mg from 1 L LB culture medium. A screening for His-LysB activity on esterase and lipase substrates confirmed the lipolytic activity. With p-nitrophenyl butyrate as substrate, the thermal stability of the enzyme was poor when the temperature was above 30oC. The enzyme exhibited higher stability at pH 5.0–9.5. The optimum temperature and pH for the lipolytic activity of His-LysB were 23oC and 7.5 respectively. Under the optimum conditions, the specific activity of His-LysB was 1.3 U/mg. Zn2+, Cu2+, Mg2+, Mn2+and phenylmethane sulfonyl fruoride severely inhibited the lipolytic activity of His-LysB.

结果表明：成功构建了pET22b-lysB表达载体，并从1 L的LB培养物中获得了33.2 mg高纯度重组蛋白；His-LysB具有分解脂肪的能力，属于脂肪酶；生物化学特性分析表明：丁酸对硝基苯为水解底物，His-Lys热稳定性不佳，30℃以下比较稳定，随着温度的升高，稳定性逐渐降低；该蛋白具有较高的pH值适应性，pH 5.0~9.5范围内稳定性较高；在23℃和pH 7.5时酶活力最高，其比酶活为1.3 U/mg；金属离子Zn2+、Cu2+、Mg2+、Mn2+和苯甲基磺酰氟抑制剂对酶活具有强烈的抑制作用。

Lipase enzyme activity analysis by p-NPP method indicated that Lipase6, Lipase7 and Lipase8 had higher lipolytic activities to substrates of p-nitrophenyl palmitate (C16), p-nitrophenyl alaurate (C12) and p-nitrophenyl palmitate (C16) respectively.

底物特异性分析表明Lipase6、Lipase7和Lipase8分别对C16底物、C12底物和C16底物水解能力最强。

We would like to see the enzyme in a complex with its natural substrates as well as with inhibitors, Lovering said.

我们愿意看到处在有其天然底物和抑制物中， Lovering 说。

A preliminary study on substrate specificity of Lumbricus Bimastus nuclease DNase E degradation studies showed that there were differences in degradation rate of the DNase E to different substrates.

双胸蚓组织核酸酶底物特异性的研究通过DNase E在最适反应条件下对几种不同底物降解速率的研究表明DNase E降解底物存在差异性。

These results define the atrial antiarrhythmic profile of a mechanistically noel antiarrhythmic drug and suggest that gap junction dysfunction may be more important in ischemic AF than in ATP remodeling or congestie heart failure substrates.

这些结果明确了这种新型抗心律失常药物的心房抗心律失常的特点，提示与快速心房起搏和充血性心力衰竭这两种房颤病理基础相比，缝隙连接功能失调可能在缺血性房颤中发挥更为重要的作用。

Connectors are lines that can be anchored to particular places, called glue points , on the graphic object.

连接符，可固定在图形对象的特定的地方的线条。

Another way of putting it, too many agents have a say in each other's work, and bureaucratic rigor mortis sets in.

另一种表达是，太多的作用物在彼此的工作里都有话语权，官僚的僵尸开始抬头。