title: Correlating metal ionic characteristics with biosorption capacity using QSAR model.
abstract: The relationship between metal ionic characteristics and the maximum biosorption capacity (q(max)) was established using QSAR model based on the classification of metal ions (soft, hard and borderline ions). Ten kinds of metal ions (Ag(+), Cs(+), Zn(2+), Pb(2+), N(i2+), Cu(2+), Co(2+), Sr(2+), Cd(2+), Cr(3+)) were selected and the waste biomass of Saccharomyces cerevisiae obtained from a local brewery was used as biosorbent. Eighteen parameters of physiochemical characteristics of metal ions were selected and correlated with q(max). Classification of metal ions could improve the QSAR models and different characteristics were significant in correlating with q(max), such as polarizing power Z(2)/r or the first hydrolysis constant |logK(OH)| or ionization potential IP. X(m)(2)r seemed to be suitable for metal ions including soft ions, and Z(2)/r, |logK(OH)| and IP suitable for only soft ions or metal ions excluding soft ions. It provided a new way to predict the biosorptive capacity of metal ions.
authors.affiliation: Laboratory of Environmental Technology, INET, Tsinghua University, Beijing 100084, PR China.
authors.forename: Chen
authors.initials: C
authors.lastname: Can
authors.forename: Wang
authors.initials: W
authors.lastname: Jianlong
mesh_terms: D000327:Adsorption; D001673:Biodegradation, Environmental; D002412:Cations; D016014:Linear Models; D019216:Metals, Heavy / Q000032:analysis / Q000737:chemistry*; D008956:Models, Chemical; D021281:Quantitative Structure-Activity Relationship; D012441:Saccharomyces cerevisiae / Q000254:growth & development*; D014874:Water Pollutants, Chemical / Q000032:analysis / Q000737:chemistry*
chemical_list: D002412:Cations; D019216:Metals, Heavy; D014874:Water Pollutants, Chemical