title: Selectivity and Cooperativity in the Binding of Multiple Guests to a Pillar[5]arene-Crown Ether Fused Tricyclic Host.
abstract: A novel tricylic host molecule 1 that consists of two pillar[5]arene units and a crown ether ring was found to selectively bind two kinds of guest molecules with different shapes, sizes, and electronic constitutions, namely 1,4-dicyanobutane G1 and paraquat G2, with its two macrocyclic subunits, to form a four-component complex 2G1⊂1⊃G2. An (1)H NMR study of stepwise bindings of G1 and G2 to host 1 in CDCl3/DMSO-d6 revealed that the strength of the association between complex 2G1⊂1 and guest G2 was only one-fourth of that between free 1 and G2, demonstrating a negative heterotropic cooperativity of G1 in the binding of G2 to host 1.
authors.affiliation: †Shanghai Advanced Research Institute, Chinese Academy of Science, Shanghai 201210, China.|‡University of Chinese Academy of Sciences, Beijing 100039, P. R. China.
authors.forename: Wei-Bo
authors.initials: WB
authors.lastname: Hu
authors.affiliation: §School of Materials Science and Engineering, Southwest University of Science and Technology, Mianyang 621010, Sichuan, P. R. China.
authors.forename: Chang-Dong
authors.initials: CD
authors.lastname: Xie
authors.affiliation: †Shanghai Advanced Research Institute, Chinese Academy of Science, Shanghai 201210, China.
authors.forename: Wen-Jing
authors.initials: WJ
authors.lastname: Hu
authors.affiliation: ∥Shanghai Key Laboratory of Green Chemistry and Chemical Processes and Department of Chemistry, East China Normal University, Shanghai 200062, China.
authors.forename: Xiao-Li
authors.initials: XL
authors.lastname: Zhao
authors.affiliation: ⊥Medicinal Chemistry, ChemBridge Research Laboratories, Inc., San Diego, California 92127, United States.
authors.forename: Yahu A
authors.initials: YA
authors.lastname: Liu
authors.affiliation: §School of Materials Science and Engineering, Southwest University of Science and Technology, Mianyang 621010, Sichuan, P. R. China.
authors.forename: Ji-Chuan
authors.initials: JC
authors.lastname: Huo
authors.affiliation: †Shanghai Advanced Research Institute, Chinese Academy of Science, Shanghai 201210, China.
authors.forename: Jiu-Sheng
authors.initials: JS
authors.lastname: Li
authors.affiliation: †Shanghai Advanced Research Institute, Chinese Academy of Science, Shanghai 201210, China.
authors.forename: Biao
authors.initials: B
authors.lastname: Jiang
authors.affiliation: †Shanghai Advanced Research Institute, Chinese Academy of Science, Shanghai 201210, China.|§School of Materials Science and Engineering, Southwest University of Science and Technology, Mianyang 621010, Sichuan, P. R. China.|#School of Physical Science and Technology, ShanghaiTech University, Shanghai 201210, China.
authors.forename: Ke
authors.initials: K
authors.lastname: Wen
mesh_terms: D001665:Binding Sites; D047250:Calixarenes; D043844:Crown Ethers / Q000737:chemistry*; D018360:Crystallography, X-Ray; D047028:Macrocyclic Compounds / Q000138:chemical synthesis* / Q000737:chemistry; D008958:Models, Molecular; D008968:Molecular Conformation; D000644:Quaternary Ammonium Compounds / Q000737:chemistry*
chemical_list: D043844:Crown Ethers; D047028:Macrocyclic Compounds; D000644:Quaternary Ammonium Compounds; C570642:pillar(5)arene; D047250:Calixarenes