title: Encapsulation and selectivity of sulfate with a furan-based hexaazamacrocyclic receptor in water.
abstract: A furan-based hexaazamacrocycle encapsulates a sulfate anion in its cavity showing strong affinity and selectivity for sulfate in water over a wide range of inorganic anions. The DFT calculations demonstrate that the receptor provides binding sites as hydrogen bonding donors and electrostatic positive charges for the strong binding of sulfate.
authors.affiliation: Department of Chemistry and Biochemistry, Jackson State University, Jackson, MS 39212, USA. alamgir.hossain@jsums.edu.
authors.forename: M Mhahabubur
authors.initials: MM
authors.lastname: Rhaman
authors.forename: Lucky
authors.initials: L
authors.lastname: Ahmed
authors.forename: Jing
authors.initials: J
authors.lastname: Wang
authors.forename: Douglas R
authors.initials: DR
authors.lastname: Powell
authors.forename: Jerzy
authors.initials: J
authors.lastname: Leszczynski
authors.forename: M Alamgir
authors.initials: MA
authors.lastname: Hossain
mesh_terms: D000838:Anions / Q000032:analysis; D001372:Aza Compounds / Q000737:chemistry*; D005663:Furans / Q000737:chemistry*; D006860:Hydrogen Bonding; D047028:Macrocyclic Compounds / Q000737:chemistry*; D011789:Quantum Theory; D055672:Static Electricity; D013431:Sulfates / Q000032:analysis*; D014867:Water / Q000737:chemistry*
chemical_list: D000838:Anions; D001372:Aza Compounds; D005663:Furans; D047028:Macrocyclic Compounds; D013431:Sulfates; D014867:Water; C039281:furan