Adsorption affinity of tea catechins onto polymeric resins: Interpretation from molecular orbital theory |
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| Institution: | 1. Institute on Polymers, Composites and Biomaterials, National Research Council of Italy, via Campi Flegrei, 34, 80078 Pozzuoli, NA, Italy;2. Department of Chemical, Materials and Production Engineering, University of Naples Federico II, P.le Tecchio 80, 80125 Naples, Italy;1. Department of Chemical Technology, Faculty of Science, Chulalongkorn University, Pathumwan, Bangkok 10330, Thailand;2. Chemical Resources Laboratory, Tokyo Institute of Technology, 4259 Nagatsuta, Midori-ku, Yokohama 226-8503, Japan;3. Center of Excellence on Petrochemical and Materials Technology (PETROMAT), Chulalongkorn University, Pathumwan, Bangkok 10330, Thailand |
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| Abstract: | Adsorption of certain tea catechins such as (+) catechin (C), (?) epicatechin (EC), (+) gallocatechin (GC), (?) epigallocatechin (EGC), (+) catechin gallate (CG), (?) epicatechin gallate (ECG), (+) gallocatechin gallate (GCG), and (?) epigallocatechin gallate (EGCG) have been studied using three types of polymeric resins as adsorbents. Adsorption affinity expressed as the slope of the linear region of the isotherm for a solute is found to be different for different adsorbents, and this difference can be interpreted from the chemical nature of the sorbents. Molecular interactions on polymeric resins have been studied based on molecular orbital theory. Electronic states of adsorbent and adsorbate were calculated using the semiempirical molecular orbital (MO) method from which energy of adsorption in aqueous solution was estimated. The adsorptive interaction on the polymeric resins computed on the basis of frontier orbital theory seems to correlate well with the experimentally measured adsorption affinity and enthalpy. |
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