title: Experimental and computational probes of a self-assembled capsule.
abstract: [reaction: see text] This research was undertaken to explore the interior surface of a synthetic receptor 1.1 with arylpyridines as guests. The interior surface differentiates the guests through the recognition of their nitrogen atoms. Experimental and computational analyses revealed that there is a delicate balance of attractions and repulsions between the host and the lone pairs of guests.
authors.affiliation: The Skaggs Institute for Chemical Biology and the Department of Chemistry, The Scripps Research Institute MB-26, La Jolla, California 92037, USA.
authors.forename: Tetsuo
authors.initials: T
authors.lastname: Iwasawa
authors.forename: Dariush
authors.initials: D
authors.lastname: Ajami
authors.forename: Julius
authors.initials: J
authors.lastname: Rebek
mesh_terms: D047250:Calixarenes; D006860:Hydrogen Bonding; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D008968:Molecular Conformation; D015394:Molecular Structure; D009584:Nitrogen / Q000737:chemistry; D010649:Phenylalanine / Q000031:analogs & derivatives / Q000737:chemistry; D011725:Pyridines / Q000737:chemistry*
chemical_list: D011725:Pyridines; C466160:resorcinarene; D047250:Calixarenes; D010649:Phenylalanine; D009584:Nitrogen