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Density Functional Theory method was used to optimize the geometries of 209 PCDE molecules, 209 PBDE molecules and 75 PCDD molecules at the B3LYP/6-31G* level. Using computed structural parameters as theoretical descriptors, the forward stepwise multiple regression technique was adopted to obtain QSPR models of environmental partition properties for these POPs by using GQSARF 2.0 and SPSS12.0 for windows programs. The obtained QSPR models are as follows:(1) QSPR models for predicting subcooled liquid vapor pressure, n-octanol/water partition coefficients lgK_(ow and subcooled liquid water solubilities -lgS_(w,l of PCDEs, of which correlative coefficients (R~2) are 0.988, 0.958 and 0.959 and the root-mean-square-error of estimation are 0.134, 0.116 and 0.327 respectively.(2) QSPR models of lgPL and n-octanol/air partition coefficients lgK_(oa for PBDEs, which both contain three structural parameters. The values of R2 for the two models are both 0.997 while the values of RMSEE are 0.073 and 0.062 respectively.(3) QSPR models of lgKow and–lgS_ for PCDEs, which both have one variable (mean molecular polarizability,α). The values of R~2 for the two models are 0.978 and 0.866 and the values of RMSEE are 0.300 and 0.270 respectively.(4) The molecular structures of 24 substituted naphthaline compounds were optimized using Hartree-Fock and DFT methods at four different levels and the same means was used to obtain four three-parameter (EHOMO, q~+ andα) QSPR models of lgK_. The model at the HF/6-311G** level is the best one of which R2 is 0.9662 and RMSEE is 0.380.(5) QSPR study for environmental partition properties of PCDEs was also performed using position of Cl substitution method in which simple parameters of substitution position were taken as descriptors. The multiple linear regression was performed with GQSARF 2.0 and SSPS 12.0 for windows programs to obtain QSPR models of lgP_L, lgK_ and–lgS_ for PCDEs of which R~2 are 0.991, 0.983 and 0.965 and RMSEE are 0.311, 0.100 and 0.300 respectively.

采用密度泛函理论方法在B3LYP/6-31G*水平上对PCDEs、PBDEs和PCDDs的分子结构进行了全优化计算，以计算得到的量子化学参数作为理论描述符，采用GQSARF 2.0和SPSS 12.0 for windows统计程序进行正向逐步回归分析，建立了这些POPs的环境分配性质的QSPR模型：(1) PCDEs的过冷液体蒸汽压、正辛醇/水分配系数lgK_(ow和水溶解度-lgS_(w，l的QSPR模型，这3个QSPR模型的相关系数(R2)分别为0.988、0.958和0.959，估计的均方根误差分别为0.134、0.116和0.327；(2) PBDEs的lgPL和正辛醇/空气分配系数lgK_(oa的QSPR模型，这两个模型都包含三个分子结构参数，其R~2都为0.997，RSMEE分别为0.073和0.062；(3) PCDDs类化合物的lgK_和-lgS_w的QSPR模型，两个模型都只含一个变量，其R~2分别为0.978和0.866，RSMEE分别为0.300和0.270；(4)采用Hartree-Fock和DFT方法，在4种不同水平上优化计算了24个取代萘系列化合物的分子结构，采用上述同样的方法分别建立了四种水平上的三变量lgK_模型，通过比较得到，在HF/6-311G**水平计算得到的模型最好，R为0.966，RSMEE为0.380；(5)同时，采用氯原子取代位置方法对PCDEs的环境分配性质进行QSPR研究，建立了PCDEs的lgPL、lgK_和-lgS_的QSPR模型，其R~2分别为0.991、0.983和0.965，RSMEE分别为0.110、0.100和0.300。

In view of the theory and practice, multi-channel mode-filtered light CE has potentials in chiral separation of the biomolecules and the pharmic molecules, and in study of biological characteristics of the interaction of the bio-molecules with the pharmic molecules.

从理论和实验两方面来看，我们期望多通道模式滤光CE在生物分子和药物分子的手性拆分上、在研究生物大分子和药物分子之间相互作用的生物特征上，可以获得良好的应用。

A mode of the directionally growth of PAn on the surface of NaFe〓P〓rod-like particle was suggested. Some of aniline molecules in the reactants are fixed on the surface of skutterudite particles before the beginning of the polymerization. Other aniline molecules link with the aniline molecules fixed on the surface of skutterudite and form liner chains when the initiater is added into the reactants.

提出了聚苯胺在棒状方钴矿NaFe〓P〓材料表面定向生长的物理化学模型：在表面配位键的作用下方钴矿晶须表面首先附着了一层苯胺单体，在引发剂的作用下溶液中的苯胺分子在这层单体上定向聚合，形成了定向聚苯胺线性分子。

Base molecules can be labeled because of specific interactions between the fluorescent dye molecules and base molecules.

利用荧光染料分子与本底分子之间特定的相互作用可以对本底分子进行标记。

We assumed that there were forces of attraction between molecules which varied rapidly with the distance so that the attraction between molecules that were more than a few ten millionths of a millimeter apart was very small but became c**iderable when the molecules approached more closely.

当固体浸没到液体中时，固体会失去它所排出的液体的那部分重量，这就是现在通常所谓的阿基米德原理。有关这一发现的故事说法众多，下面的故事就是其中之一。

We assumed that there were forces of attraction between molecules which varied rapidly with the distance so that the attraction between molecules that were more than a few ten millionths of a millimeter apart was very small but became considerable when the molecules approached more closely.

当固体浸没到液体中时，固体会失去它所排出的液体的那部分重量，这就是现在通常所谓的阿基米德原理。有关这一发现的故事说法众多，下面的故事就是其中之一。

The methanol molecule has the best catalytic effect among the three molecules followed by the water and ammonia molecules.

其中甲醇的辅助效果最佳，其次为水和氨分子。

With increasing DMFcontent in mixed solvents, the dipolar attracting interactions betweenglycine molecules increase; the attracting interactions arising fromhydroxyl groups between L-serine molecules increase rapidly; the repulsing interactions involving apolar side-chains between L-valine moleculeshave little fluctuate. By the present of ethanol, attractions arising fromhydroxyl groups increase obviously, repulsions arising from apolarside-chains decrease.

随溶液中DMF含量的增大，甘氨酸和L-丝氨酸两分子间的偶极吸引作用逐渐增大。L-丝氨酸羟基的吸引作用影响更加明显，因此增加速度较快。L-缬氨酸非极性侧基的排斥作用变化略有波动。

You see, because of the artificiality of these oil molecules, combined with the fact that they're essentially fat molecules, causes them to stay in the body and not get used by the body.

你看，由于对人工的，这些油分子，结合事实，即他们本质上的脂肪分子，原因他们留在组织，并没有得到所用的人体。

Because the atoms and the molecules of my arm blended with the atoms and molecules of the wall.

构成我的手臂的原子和分子与墙上的分子混在了一起。

Diabetes is a social disease that affects several million people worldwide.

糖尿病是一个社会性疾病，全世界有数百万人罹患此病。

I'll call you on Friday to see if we can reschedule our luncheon meeting at your convenience.

我星期五会给您打电话在您方便的时候我们重新安排我们的午餐约会。