The dimerization of methylene blue in organized molecular assemblies including micelle, O/W microemulsion and lamellar liquid crystal was investigated.
研究了生物染色剂亚甲蓝在分子有序组合体(胶束、O/W微乳液和层状液晶)介质中的聚集行为。
Finally, wetested its antibacterial activities by E. coli and S. aureus. Methods In this research, the recombinded gene was cloned into the secretion vector pTYB12 and expressed in the E. coli BL21DE3. We did the preliminary research on secretion-expression of the gene. During the purification procedure, we used the chintin beads to wash off the sundry protein, then dialysed the collecting liquid to get rid of the salinity and the other small molecular peptides.
将上述重组基因抗菌肽的氨基酸片段克隆并拼接到分泌表达载体pTYB12上转染大肠杆菌(E.coli BL21DE3)后进行分泌表达，破碎离心收集的诱导表达大肠杆菌，首次应用几丁质珠柱分离纯化系统进行分离纯化，分离洗脱杂蛋白后透析去除盐类物质及其它小分子肽，得到目的重组基因抗菌肽。
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。
Non-invasive micro-test technology, liquid ion exchanger, Fick'law of diffusion, ionic/molecular selective microelectrode
中文关键词：非损伤微测技术，液体离子交换剂，Fick第一扩散定律，离子/分子选择性微电极
Three dimensional Monte-Carlo methodology was applied to simulate the molecular trajectories, collision rates among vapor molecules and between molecules and surfaces of pins as well as bundle canning wall. Re-wetting of dried out regions of the cladding surfaces was simulated with a dynamic liquid film model.
以分子运动理论的基本定律为基础，开发出替代宏观经验模型来分析反应堆棒束中的钠蒸发率和冷凝率的微观模型，且采用三维蒙特卡罗方法模拟分子的运动轨迹，分子间的碰撞率以及分子与棒束、分子与棒束组件盒壁的碰撞率。
The present paper describes the effect of the ethine absorbed and solved in the liquid oxygen on the liquid oxygen in the main condenser-evaporator since revamp of the air separation unit with liquid air and liquid oxygen absorber into the air separation unit with molecular absorber as well as measurement of the ethine content.
阐述空分设备由一般的液态空气吸附器和液态氧吸附器改造为分子筛吸附器后，吸附溶解在液态氧中的乙炔对主冷液态氧的影响程度及乙炔含量的检测。
The method comprises heating up the lactic acid solution to gasify at 150-200 degree C, mixing the obtained mixed vapour of lactic acid and water with the carrier gas, entering into gas-solid catalytic reactor to get the reaction product gas by the action of a modified Y zeolite molecular sieve catalytic agent and dewatering after heating up the mixed gas to 200-450 degree C, obtaining the propenoic acid solution through gas-liquid dissociation after cooling the reaction product gas, obtaining coarse propenoic acid products form the propenoic acid solution by gas stripping, azeotropic distillation, extraction and rectification in turns.
其特征在于将乳酸水溶液加热至150～200℃气化得到的乳酸-水混合蒸气与载气混合，将混合后的气体继续加热到200～450℃后进入气-固相催化反应器中经改性Y沸石分子筛催化剂作用脱水得反应产物气体，反应产物气体冷却后经气液分离得到丙烯酸溶液，丙烯酸溶液再依次经过气提、共沸蒸馏或萃取、精馏得到粗丙烯酸产品。
Hen the molecular weight of TLCP reducing to 2965, liquid crystallinity of copolymer disappeared.
AXD结果表明嵌段共聚物的衍射行为可以看作其相应齐聚物的衍射的叠加。
The flow process of the liquid thin-film on the surface of the evaporator has been analyzed. The mixing pool model has firstly used in the simulation of wiped film molecular distillation process.
本文还通过对刮膜式蒸馏器蒸发壁面上的流体流动特点进行分析，首次把混合池模型应用于刮膜式分子蒸馏分离过程模型的建立中。
Molecular dynamics; filmwise condensation; liquid film; interface
分子动力学；膜状冷凝；液膜；界面
A conclusion is drawn that the Onsager method is fit for the research on the liquid o-xylene's molecular stru...
同时，对Onsager模型的适用性进行了讨论，进而得出了On-sager模型适于研究纯液态的邻二甲苯分子结构和红外光谱的结论。
The source of molecules re-entering into the Monte-Carlo calculation of molecular dynamics due to the evaporation of sodium from the condensed liquid film was computed.
对包壳干涸区的再浸润现象用动力膜模型描述，并计算了通过液膜的液体速度分布和平均液膜速度，对于从冷凝液膜蒸发的钠分子则被重新记为蒙特卡罗计算的源项。
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Objective: To study the pharmacological effects of different molecular weight enzymolysis liquid from cornu bubali.
目的：研究水牛角不同相对分子质量酶解液的药理作用。
Oil; Oil and fat information: Molecular formula: CAS: nature: for the liquid at room temperature, Semi-solid and solid hydrophobic substances known that the oil and resin known, the main ingredients of the three fatty acid glyceride.
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A interaction energy model was put forward from a molecular-interaction point of view, then it was combined with Wilson model and used to calculate the solid-liquid phase equilibrium of musk ketone and musk xylene. The predictive results agreed well with experimental results obtained by differential scanning calorimetry.
从分子间相互作用角度进行研究，提出了交互作用能模型并将它应用于Wilson模型，研究了酮麝香和二甲苯麝香体系的固－液相平衡，并采用差分扫描量热热分析法进行了实验研究，计算结果与实验值吻合较好。
Low molecular weight liquid amide is an excellent solvent, has a long chain fatty acid amide can be used as surfactants.
低分子液态酰胺是优良溶剂，长链脂肪酸酰胺可用作表面活性剂。
It from the outside shape and is a liquid, but its molecular structure of crystal type and acts in a solid form.
它从形状和外观看都是一种液体，但它的水晶式分子结构又表现出固体的形态。
The molecular engineer of polymer liquid crystal consists of molecular design and functionalization of polymer liquid crystal.
液晶高分子的分子工程学包括液晶高分子的分子设计和功能化。
Membrane of the principle of the use of hollow fiber filter large molecular weight material, the material from different molecular weight, to achieve clean tap water, liquid purposes.
超滤膜的原理是利用中空纤维过滤大分子量的物质，将分子量不同的物质分开，从而达到净化自来水、药液的目的。