A systematic evaluation of molecular recognition phenomena.: 1.: Interaction between phosphates and nucleotides with hexaazamacrocyclic ligands containing m-xylylic spacers
A systematic evaluation of molecular recognition phenomena.: 1.: Interaction between phosphates and nucleotides with hexaazamacrocyclic ligands containing m-xylylic spacers
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DOI：
10.1021/ic990818p
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发表时间：
2000-07-10
影响因子：
4.6
通讯作者：
Martell, AE
中科院分区：
文献类型：
--
作者：
Anda, C;Llobet, A;Martell, AE
用电位平衡法研究了邻位（Ph）、焦位（Pp）和三聚磷酸（Tr）阴离子与ATP（At）、ADP（Ad）和AMP（Am）核苷酸和六氮杂大环配体3，7，11，19，23，27-六氮杂三环[27.3.1.1（13，17）]三十碳-1（32），13，15，17（34），29（33），30-六烯（Bn）之间的主客体相互作用.三元配合物在水溶液中由于主客体间氢键的形成和库仑吸引而形成。所有的物种得到的形成常数的报告。Bn配体的磷酸盐和核苷酸底物的选择性进行了讨论，并说明物种分布图。并将所得结果与类似但较小的大环配体3，6，9，17，20，23-六氮杂三环[23.3.3.1.1（11，15）]三十碳-1（29），11（30），12，14，25，27-六烯（Bd）的结果进行了比较。结果表明，配体艾德和Bn与特定底物形成三元物种的竞争强烈依赖于p[H].化合物[（H（6）Bn）（H（2）PO（4））（6）]的晶体结构。2 H（2）O，经验式为C（28）H（68）N（6）O（26）P（6）。该化合物属于三斜P（1）棒空间群，Z = 1，a = 8.892（2）埃，B = 9.369（4）埃，c = 16.337（8）埃，α = 73.72（4）度，β = 83.01（4）度，γ = 64.81。（3）度。发现磷酸根抗衡离子通过广泛的氢键网络桥接大环分子的相邻层。
The host-guest interactions between ortho- (Ph), pyro- (Pp), and tripolyphosphate (Tr) anions together with ATP (At), ADP (Ad), and AMP (Am) nucleotides and the hexaazamacrocyclic ligand 3,7,11,19,23,27-hexaazatricyclo[27.3.1.1 (13,17)]triaconta-1(32),13, 15, 17(34),29(33),30-hexaene (Bn) have been investigated by potentiometric equilibrium methods. Ternary complexes are formed in aqueous solution as a result of hydrogen bond formation and Coulombic attraction between the host and the guest. Formation constants for all the species obtained are reported. The selectivity of the Bn ligand with regard to the phosphate and nucleotide substrates is discussed and illustrated with species distribution diagrams. A comparison of the present results with those obtained for the similar but smaller macrocyclic ligand 3,6,9,17,20,23-hexaazatricyclo[23.3.3.1.1(11,15)]triaconta- 1(29),11(30),12,14,25,27-hexaene (Bd) is also discussed. It is found that the competition of the Ed and Bn ligands for the formation of ternary species with a specific substrate is strongly dependent on the p[H]. The crystal structure of the compound [(H(6)Bn)(H(2)PO(4))(6)]. 2H(2)O with empirical formula C(28)H(68)N(6)O(26)P(6) has been solved by means of X-ray diffraction analysis. The compound belongs to the triclinic P (1) over bar space group with Z = 1, a = 8.892(2) Angstrom, b = 9.369(4) Angstrom, c = 16.337(8) Angstrom, alpha = 73.72(4)degrees, beta = 83.01(4)degrees, and gamma = 64.81.(3)degrees. The phosphate counterions are found to bridge adjacent layers of macrocyclic molecules through an extensive hydrogen-bonding network.