title: Sorption of poly(hexamethylenebiguanide) on cellulose: mechanism of binding and molecular recognition.
abstract: Antimicrobial agents such as poly(hexamethylene biguanide) (PHMB) find application in medical, apparel, and household textile sectors; although it is understood that certain concentrations need to be applied to achieve suitable performance, there has been very little work published concerning the interactions of the polymer and its adsorption mechanism on cellulose. In this paper, such physical chemistry parameters are examined and related to computational chemistry studies. Adsorption isotherms were constructed: at low concentrations, these were typical Langmuir isotherms; at higher concentrations, they were more indicative of Freundlich isotherms, attributed to a combination of electrostatic and hydrogen-bonding forces, which endorsed computational chemistry proposals. At lower concentrations, electrostatic interactions between PHMB and carboxylic acid groups in the cellulose dominate with a contribution to binding through hydrogen bonding; as the concentration of PHMB increases, hydrogen bonding with cellulose becomes increasingly dominant. At high PHMB concentrations, observations of increasing PHMB adsorption are attributed to monolayer aggregation and multilayer stacking of PHMB through electrostatic interactions with counterions and hydrogen bonding of biguanide groups.
authors.affiliation: Green Chemistry Group, Centre for Technical Textiles, University of Leeds, Leeds, LS2 9JT, UK. r.s.blackburn@leeds.ac.uk
authors.forename: Richard S
authors.initials: RS
authors.lastname: Blackburn
authors.forename: Anna
authors.initials: A
authors.lastname: Harvey
authors.forename: Lorna L
authors.initials: LL
authors.lastname: Kettle
authors.forename: John D
authors.initials: JD
authors.lastname: Payne
authors.forename: Stephen J
authors.initials: SJ
authors.lastname: Russell
mesh_terms: D000327:Adsorption; D000890:Anti-Infective Agents / Q000737:chemistry*; D001665:Binding Sites; D002482:Cellulose / Q000737:chemistry*; D020099:Coated Materials, Biocompatible / Q000737:chemistry; D006146:Guanidines / Q000737:chemistry*; D006860:Hydrogen Bonding; D008958:Models, Molecular; D011108:Polymers / Q000737:chemistry*; D055672:Static Electricity; D013784:Textiles
chemical_list: D000890:Anti-Infective Agents; D020099:Coated Materials, Biocompatible; D006146:Guanidines; D011108:Polymers; C107145:poly(hexamethylenebiguanidinium); D002482:Cellulose