A Ditopic Ion-Pair Receptor Based on Stacked Nucleobase Quartets

被引：72

作者：

van der Wijst, Tushar ^{[1
,2
,3
]}

Guerra, Celia Fonseca ^{[1
,2
]}

Swart, Marcel ^{[4
]}

Bickelhaupt, F. Matthias ^{[1
,2
]}

Lippert, Bernhard ^{[3
]}

机构：

[1] Vrije Univ Amsterdam, Scheikundig Lab, Amsterdam Ctr Multiscale Modeling, NL-1081 HV Amsterdam, Netherlands

[2] Vrije Univ Amsterdam, Scheikundig Lab, Dept Theoret Chem, NL-1081 HV Amsterdam, Netherlands

[3] Tech Univ Dortmund, Fak Chem, Lehrstuhl Bioanorgan Chem, D-44227 Dortmund, Germany

[4] Inst Catalana Recerca & Estudis Avancats ICREA, Barcelona 08010, Spain

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2009年 / 48卷 / 18期

关键词：

density functional calculations; DNA base quartets; ion-pair receptors; nucleobases; stacking interactions; DENSITY-FUNCTIONAL THEORY; INTERACTION ENERGIES; SCREENING MODEL; ANION-BINDING; RECOGNITION; CATIONS; RHENIUM(I); SOLVATION; STABILITY; COMPLEXES;

D O I：

10.1002/anie.200900057

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Pass the salt, please! State-of-the-art computations indicate that the stacking complex of a guanine quartet and an adenine quartet (G 4A4) can function as a potent ditopic receptor for NaCl in aqueous solution (see picture; Na+, Cl- yellow, O red, N blue, C black, H white). © 2009 Wiley-VCH Verlag GmbH & Co. KGaA.

引用

页码：3285 / 3287

页数：3

共 50 条

[1] Models of putative (AH)G(AH)G nucleobase quartets [J].

Amo-Ochoa, P ;

Miguel, PJS ;

Lax, P ;

Alonso, I ;

Roitzsch, M ;

Zamora, F ;

Lippert, B .

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2005, 44 (35) :5670-5674

[2]

Amo-Ochoa P., 2005, ANGEW CHEM, V117, P5816

[3]

[Anonymous], ANGEW CHEM

[4] Anion binding to nucleic acids [J].

Auffinger, P ;

Bielecki, L ;

Westhof, E .

STRUCTURE, 2004, 12 (03) :379-388

[5]

Balasubramanian S, 2006, RSC BIOMOL SCI, pV

[6] Kohn-Sham density functional theory: Predicting and understanding chemistry [J].

Bickelhaupt, FM ;

Baerends, EJ .

REVIEWS IN COMPUTATIONAL CHEMISTRY, VOL 15, 2000, 15 :1-86

[7] An ion pair receptor showing remarkable enhancement of anion-binding strengths in the presence of alkali metal cations [J].

Chae, Min Kyung ;

Lee, Jung-In ;

Kim, Nam-Kyun ;

Jeong, Kyu-Sung .

TETRAHEDRON LETTERS, 2007, 48 (38) :6624-6627

[8] Heteroditopic rhenium(I) and ruthenium(II) bipyridyl calix[4]arene receptors for binding cation-anion ion pairs [J].

Cooper, JB ;

Drew, MGB ;

Beer, PD .

JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 2001, (04) :392-401

[9] Calix[4]pyrrole: An old yet new ion-pair receptor [J].

Custelcean, R ;

Delmau, LH ;

Moyer, BA ;

Sessler, JL ;

Cho, WS ;

Gross, D ;

Bates, GW ;

Brooks, SJ ;

Light, ME ;

Gale, PA .

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2005, 44 (17) :2537-2542

[10]

CUSTELCEAN R, 2005, ANGEW CHEM, V117, P2593

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