C60 -尿嘧啶加合物通过互补碱基对腺嘌呤、腺苷和ATP的界面分子识别

Structural and Electronic Properties of Molecular Nanostructures. XVI International Winterschool on Electronic Properties of Novel Materials Pub Date : 2002-10-02 DOI:10.1063/1.1514161

R. Marczak, V. T. Hoang, K. Noworyta, M. Zandler, W. Kutner, F. D’Souza

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引用次数: 0

摘要

一种新的C60 -尿嘧啶加合物被证明可以通过互补碱基配对识别腺嘌呤、腺苷或腺苷5 ' -三磷酸腺苷(ATP)，从而形成复合物。碱基配对机制通过从头计算B3LYP/3‐21G(*)模拟，揭示了Watson‐Crick (A‐T)相互作用。制备了稳定的“膨胀液”Langmuir膜，随着亚相组成的不同，每个分子的极限面积依次增大:水<腺嘌呤<腺苷< ATP溶液。通过比较实验和计算得到的每个分子的面积和偶极矩表明，薄膜中的配合物都是水平取向的。

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Interfacial molecular recognition of adenine, adenosine and ATP by a C60‐uracil adduct via complementary base pairing

A new C60‐uracil adduct was demonstrated to recognize adenine, adenosine, or adenosine 5’‐triphosphate (ATP) via complementary base pairing which led to complex formation. The base‐pairing mechanism was modeled by ab initio B3LYP/3‐21G(*) calculations which revealed the Watson‐Crick (A‐T) interactions. Stable “expanded liquid” Langmuir films of the complexes were prepared with the limiting area per molecule increasing for different subphase composition in the order: water < adenine < adenosine < ATP solution. Comparison of experimental and calculated areas per molecule and dipole moments suggest both prevailing horizontal orientation of the complexes in films.

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Structural and Electronic Properties of Molecular Nanostructures. XVI International Winterschool on Electronic Properties of Novel Materials

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