Assemblies of Self Complementary Structures

描述：(申请人提供)本提案涉及化学处理 合成的体系称为包络络合物。它们涉及弱约束 主体结构完全围绕一个或多个分子的组件 客人们。这些系统是可逆形成的，存在于#年的时间尺度上 毫秒到几天，对于许多类型的交互来说足够长，甚至 在它们内部发生的反应。被包裹的分子暂时 隔离并相应地影响它们的行为：它们的运动和反应被限制在胶囊内，并且它们在外部溶液或其他胶囊中受到保护而不受试剂的影响。 这些特征与分子识别、计算化学、 低能垒氢键、自催化和分子规则 集合。它们在生物学上有对应的东西：分子中的分子 类似于被酶包围的底物和被受体包围的激动剂。 它们都是动态系统，在很大程度上屏蔽了溶剂，在这些系统中，运动 是有限的，氢键等相互作用可能会被放大。这个 包囊复合体也可以表现出非线性性质，如 生命系统特有的自我催化作用。数据包的封装 多肽和核酸衍生物朝着这些用途迈出了一步 药物输送系统。我们打算研究这些胶囊是如何识别它们的 客人，客人分子是如何进出胶囊的， 胶囊内部的空间，它们的传输特性。我们还建议 合成新的更大的胶囊，特别是由许多相同的 分子亚基。

DESCRIPTION: (provided by applicant) This proposal deals with chemically synthesized systems known as encapsulation complexes. They involve weakly bound assemblies in which a host structure completely surrounds one or more molecular guests. These systems are formed reversibly and exist on time scales of milliseconds to days, long enough for many types of interactions, and even reactions to take place within them. The encapsulated molecules are temporarily isolated and their behavior is effected accordingly: their motions and reactions are limited to the capsule, and they are protected from reagents inthe exterior solution or in other capsules. These features are relevant to molecular recognition, computational chemistry, low-barrier hydrogen bonds, autocatalysis and the rules governing molecular assembly. They have counterparts in biology: molecules-within-molecules resemble substrates surrounded by enzymes and agonists surrounded by receptors. They are all dynamic systems, largely shielded from solvent, in which motions are limited and interactions like hydrogen bonds may be magnified. The encapsulation complexes can also show nonlinear properties such as autocatalysis that are characteristic of living systems. The encapsulation of peptides and nucleic acid derivatives takes a step toward the use of these systems for drug delivery. We intend to study how the capsules recognize their guests, how the guest molecules get into and out of the capsules, the nature of the space inside the capsules, their transport properties. We also propose to synthesize new and larger capsules, especially those made up of many identical molecular subunits.