Pan Bo, Lin Daohui, Mashayekhi Hamid, Xing Baoshan
Department of Plant, Soil and Insect Sciences, University of Massachusetts, Amherst, Massachusetts 01003, USA.
Environ Sci Technol. 2008 Aug 1;42(15):5480-5. doi: 10.1021/es8001184.
Adsorption of 17alpha-ethinyl estradiol (EE2) and bisphenol A (BPA) on carbon nanomaterials (CNMs) was investigated. Single point adsorption coefficients (K) showed significant relationship with specific surface areas of CNMs for both chemicals, indicating surface area is a major factor for EDC adsorption on CNMs. BPA adsorption capacity is higher than EE2 on fullerene and single-walled carbon nanotubes (SWCNT). Our molecular conformation simulation indicated that BPA has a unique ability to adsorb on the curvature surface of CNMs because of its "butterfly" structure of two benzene rings. The higher adsorption capacity of BPA over EE2 is well explained by considering helical (diagonal) coverage of BPA on the CNMs surface and wedging of BPA into the groove and interstitial region of CNM bundles or aggregates. The comparison of K(HW) (hexadecane-water partition coefficient) normalized adsorption coefficients between EDCs and several polyaromatic hydrocarbons indicates that pi-pi electron donor--acceptor system is an important mechanism forthe adsorption of benzene-containing chemicals on CNMs. The high adsorption capacity and strong desorption hysteresis of both chemicals on SWCNT indicate that SWCNT is a potential adsorbent for water treatment.
研究了碳纳米材料（CNM）对17α-乙炔基雌二醇（EE2）和双酚A（BPA）的吸附情况。单点吸附系数（K）表明，这两种化学物质在CNM上的吸附与CNM的比表面积均存在显著关系，这表明表面积是内分泌干扰物在CNM上吸附的主要因素。在富勒烯和单壁碳纳米管（SWCNT）上，BPA的吸附能力高于EE2。我们的分子构象模拟表明，由于BPA具有两个苯环的“蝴蝶”结构，它具有独特的能力吸附在CNM的弯曲表面上。考虑到BPA在CNM表面的螺旋（对角）覆盖以及BPA楔入CNM束或聚集体的凹槽和间隙区域，很好地解释了BPA比EE2具有更高的吸附能力。内分泌干扰物与几种多环芳烃之间的K（HW）（十六烷-水分配系数）归一化吸附系数的比较表明，π-π电子供体-受体体系是含苯化学物质在CNM上吸附的重要机制。这两种化学物质在SWCNT上的高吸附能力和强解吸滞后表明，SWCNT是一种潜在的水处理吸附剂。
