首页> 外文会议>XVI International Winterschool on Electronic Properties of Novel Materials Mar 2-9, 2002 Kirchberg, Tirol, Austria >Interfacial molecular recognition of adenine, adenosine and ATP by a C_(60)-uracil adduct via complementary base pairing
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Interfacial molecular recognition of adenine, adenosine and ATP by a C_(60)-uracil adduct via complementary base pairing

机译:C_(60)-尿嘧啶加合物通过互补碱基配对对腺嘌呤,腺苷和ATP的界面分子识别

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摘要

A new C_(60)-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.
机译:一种新的C_(60)-尿嘧啶加合物被证明可通过互补碱基配对识别腺嘌呤,腺苷或5'-三磷酸腺苷(ATP),从而形成复合物。通过从头算B3LYP / 3-21G(*)计算模型化了碱基配对机制,该计算揭示了Watson-Crick(A-T)相互作用。制备配合物的稳定的“膨胀液体” Langmuir膜,对于不同的亚相组成,每个分子的极限面积按以下顺序增加:水<腺嘌呤<腺苷

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