title: Modulating weak interactions for molecular recognition: a dynamic combinatorial analysis for assessing the contribution of electrostatics to the stability of CH-π bonds in water.
abstract: Electrostatic and charge-transfer contributions to CH-π complexes can be modulated by attaching electron-withdrawing substituents to the carbon atom. While clearly stabilizing in the gas phase, the outcome of this chemical modification in water is more difficult to predict. Herein we provide a definitive and quantitative answer to this question employing a simple strategy based on dynamic combinatorial chemistry.
authors: Departamento de Química Bio-orgánica, Instituto de Química Orgánica General (IQOG-CSIC), Juan de la Cierva 3, E-28006 Madrid (Spain).
authors: Ester
authors: E
authors: Jiménez-Moreno
authors: Ana M
authors: AM
authors: Gómez
authors: Agatha
authors: A
authors: Bastida
authors: Francisco
authors: F
authors: Corzana
authors: Gonzalo
authors: G
authors: Jiménez-Oses
authors: Jesús
authors: J
authors: Jiménez-Barbero
authors: Juan Luis
authors: JL
authors: Asensio
mesh_terms: D020650:Combinatorial Chemistry Techniques; D055672:Static Electricity; D014867:Water / Q000737:chemistry*
chemical_list: D014867:Water
keywords: CH-π interactions; drug design; dynamic combinatorial chemistry; molecular recognition