分子

The process of the removal of a apolar molecule or the hydrophobic moieties from water can be considered as two steps: One is the destructuring of the water in the vicinity of the surface of the solute molecules, and the other is the cavity holding the hydrocarbon molecule collapses.

非极性分子或极性分子的疏水部分从水中逸出的过程可视为由两部分组成：一是非极性分子周围的水分子的有序排列结构被破坏；二是水中容纳非极性分子的空穴倒坍。

Assumes that molecules are rigid ball, intermolecular End X are all elastic collision, in addition to the instant of collision, the molecular force can be ignored, then the chemical pure gas, K = 4nd2πkT = 4d2pπ, where: k for XmSkTSm Boltzmann constant, m is molecular weight, d the molecular diameter, n the molecular number density, p the gas pressure, T is thermodynamic temperature.

假定分子是刚性球，分子间完X全是弹性碰撞，除了碰撞瞬间外，分子力可以忽略，那么在化学纯的气体中，K＝4nd2πkT＝4d2pπ，式中：k为XmSkTSm玻耳兹曼常量，m为分子质量，d为分子直径，n为分子数密度，p为气体压强，T为热力学温度。

After the carboxymethylation,the solubility of pachyman in the water was significantly increased,its β-D-glucan characteristic absorption peak at 890 cm-1 became weak obviously,and its methylene vibration absorption peak and CO antisymmetrical stretch vibration absorption peak appeared at 1 333 and 1 606 cm-1 respectively,which indicated that the carboxymethylation succeeded.The analysis of AFM results showed that CMP molecules existed in different morphology under different solution conditions,and that the concentration,ionic strength and solvent physical chemistry characteristics of polysaccharide solution had effects on the CMP chains conformation and the action mode between different molecular chains.The phenomena were considered to be related to hydrogen bond association and intramolecular and intermolecular electrostatic interactions of CMP.

结果表明：经过羧甲基修饰，茯苓多糖在水中的溶解性显著增加，890 cm-1 处的β-D-葡聚糖特征吸收峰明显减弱，1 333 cm-1 处出现次甲基振动吸收峰，1 606 cm-1 处出现〖JG(〗C〖ZJLX，Y〗O〖JG)〗非对称伸缩振动吸收峰，表明羧甲基化成功；原子力显微镜分析表明：在不同溶液条件下，CMP分子以不同形态存在，多糖溶液的浓度、离子强度及溶剂的物化特性均能对CMP的分子链构象及链间相互作用形式产生影响，推测可能与CMP分子内、分子间的氢键缔合及静电作用有关，CMP分子与云母基底间的吸附及静电作用也会对CMP的分子链构象及图像质量产生影响。

A new theoretical model, the 2CLJDQP potential function, was developed for linear molecules, which takes into account dipole, quadrupole and induction effects as well as the rotation of the dipole out of the molecular axis. The energy parameters were optimized for various types of fluids. With the modified mixing rules, the potential parameters obtained from homonuclear molecules can be used to calculate the second virial coefficients of heteronuclear molecules. The model was also successfully extended to triatomic molecules. Analysis of the contributions to the second virial coefficients of long-range interactions shows that the molecular interactions introduced in the present model, such as, the induction effects, cannot be neglected.

建立了全新的线型分子2CLJDQP势能模型，考虑了偶极作用、四极作用及诱导作用的影响，还考虑了极轴与分子轴不平行的情况；回归了多种线型分子的势能参数；通过改进混合规则，可应用同核线型分子的势能参数直接计算异核线型分子的第二维里系数；扩展该模型可用于线型三原子分子计算；讨论了各长程引力项对第二维里系数的贡献，结果表明本模型引入诱导作用等是十分必要的。

The organic molecules with it-conjugated structure are ideal structural units for molecular wires. The asymmetric electronic structure of the molecular junctions is the basic reason for molecular rectification. Rotaxanes and catenanes are ideal structural units for molecular switches. The operation principle of molecular field effect transistors is quantum tunneling, the metal/insulator/mental tunneling is mainly.

具有π-共轭结构的有机分子体系是构造分子导线的理想单元；分子结的电子结构不对称性是分子具有整流特性的根本原因；轮烷和索烃是构造分子开关的理想单元之一；分子场效应晶体管的工作原理是量子隧穿，主要是金属－绝缘体－金属间的隧穿效应。

The results of its intrinsic fluorescence spectroscopy and fluorescence phase diagram showed that when the guanidine hydrochloride concentration in denaturation solution was about 1.0 mol/L, there existed a partially folded intermediate of Bacillus amyloliquefaciens a-amylase during its unfolding procedure, which followed a three-state model; the result of its fluorescence probe showed that when the guanidine hydrochloride concentration in denaturation solution was about 1.0 mol/L, there existed some stable hydrophobic regions, which could interact with a hydrophobic reagent 8-anilino-1-naphthalene sulfonic acid, in the partially folded intermediate of Bacillus amyloliquefaciens a-amylase; and the results of fluorescence quenching using acrylamide and potassium iodide as quenchers showed the distribution of Trp residues in Bacillus amyloliquefaciens a-amylase in different denaturation solution, with the maximum number (8) of tryptophan residues in a partially folded intermediate Bacillus amyloliquefaciens a-amylase molecule could be quenched by potassium iodide; and the results of their protein electrophoresis and SEC showed that no aggregate or aggregate precipitation of Bacillus amyloliquefaciens a-amylase formed during the whole unfolding procedure of Bacillus amyloliquefaciens a-amylase induced by guanidine hydrochloride.

内源荧光光谱和荧光相图结果表明，当变性液中盐酸胍浓度约为1.0 mol/L时，芽孢杆菌a-淀粉酶的去折叠过程中出现一个部分折叠中间体，其去折叠过程符合&三态模型&；荧光探针结果表明，在溶液中盐酸胍浓度约为1.0 mol/L时，中间态芽孢杆菌a-淀粉酶分子中存在着能够与探针分子1-苯胺基-8-萘磺酸结合的稳定的疏水区域；荧光猝灭研究给出了不同程度变性的淀粉液化芽孢杆菌a-淀粉酶中的Trp的分布情况，结果表明中间态芽孢杆菌a-淀粉酶分子中能够被碘化钾猝灭的位于分子表面的色氨酸残基数目达到最大的8个；蛋白电泳和体积排阻色谱结果表明，在盐酸胍诱导的芽孢杆菌a-淀粉酶分子的整个去折叠过程中，不会以共价键或非共价键形式形成芽孢杆菌a-淀粉酶分子之间的集聚体或集聚体沉淀。

In contrast, deletion of the propeptide yields mature but inactive NK, the inclusion bodies of NK or denatured rNK couldn't be renatured in any condition, but with the aid of exogenously purified propeptide or Ser221Ala proNK, the inactive mature protein could be renatured by an intermolecular pathway in vitro.

此外，我们利用融合基因表达系统在大肠杆菌中高效表达了谷胱甘肽S-转移酶／NK和硫氧还蛋白／NK两种融合蛋白，经体外复性、纯化，均获得活性蛋白。以上结果显示，pro肽在体内体外，通过分子内或分子间的方式均能帮助NK分子的折叠与再折叠，作为一种分子内的分子伴侣，pro肽为NK分子正确折叠所必需。

Through the analysis of De, an alternative mechanism interpreting of the"overshoot"phenomena can be obtained: when the diffusing time of small molecular penetrants is shorter than relaxation time of the involved polymer, small molecular substance penetrates into the polymer quickly and its concentration reached a maximum, then the swelling of the polymer by the small molecules makes the chain structure of the polymer relaxed, thus the free volume in polymer matrix, which is occupied by small molecule, decreased, and will squeeze part of the small molecular substance out of the polymer, and therefore overshoot behavior can be observed.

通过对De的分析，可以得出产生&超调&现象的机理的另一种解释：小分子渗透物质的扩散时间相对于聚合物的松弛时间要短（相当于有个更快的扩散速度），所以小分子迅速扩散进聚合物中达到一个极值，由于小分子物质对聚合物的溶胀，使得聚合物链结构产生松弛，由于聚合物链结构的变化，小分子物质占有的自由体积会减小，这样会挤出小分子物质，使得小分子物质在聚合物中的浓度减小，如果高聚物粘弹性明显，甚至可能出现多个浓度的衰减振荡并达到平衡值。

Furthermore, the structures of DNA molecules varying with concentration of new modification agent were studied, and it was found that when the new modification agent concentration was 1:1000, DNA molecules were successfully fixed and extended on the modified mica surface and well-distinguished DNA strands were imaged by AFM.

并进一步观察了不同DAPS浓度下DNA分子的吸附行为，发现当DAPS/甲醇体积比浓度为1：100时，DNA分子呈现出大而复杂的形态，发生了分子内和分子间的碱基相互配对；当体积比浓度为1：3000时，即没有分子内和分子间的碱基相互配对，也

The effects of dopant concentration, the molecular volume and the temperature of polymerization on the refractive index profile of the preform rods were investigated in detail.

观察到聚合温度对折射率分布的影响以及掺杂剂分子的分子体积在极端情况下(如溴苯与MMA分子的分子体积相似，联苯分子体积比MMA则要大的多)对折射率分布的影响，清楚地显示出分子体积在界面-凝胶聚合过程中所起的重要作用。

The split between the two groups can hardly be papered over.

这两个团体间的分歧难以掩饰。

This approach not only encourages a greater number of responses, but minimizes the likelihood of stale groupthink.

这种做法不仅鼓励了更多的反应，而且减少跟风的可能性。