Fundamental Studies on Removal Technology Development of Several Environmental Inhibitors

几种环境抑制剂去除技术开发的基础研究

• 批准号: 16500479
• 负责人: IHARA Yasuji
• 金额: $ 2.05万
• 依托单位: Yamaguchi Prefectural University
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for Scientific Research (C)
• 财政年份: 2004
• 资助国家: 日本
• 起止时间: 2004 至 2005
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/en/grant/KAKENHI-PROJECT-16500479/
• 关键词: Environmental inhibitors; Removal technology development; Cyclodextrins; Surfactants; Bamboo charcoal; Phenol; Bisphenol A; Selective adsorption; 包接複合体; ダイオキシン類; 分子力場計算; 分子シミュレーション; 活性炭; 平衡吸着法

(1) The binding isotherms of nonionic surfactants onto water soluble polymer containing cyclodextrin (CD) were measured in aqueous solution. The nonionic surfactants used were polyoxyethylene nonylphenylether with different oxyethylene units. The binding affinities for nonionic surfactants decreased with increases in the length of oxyethylene units on the polymer. (2) Molecular mechanics (MM) and molecular dynamics (MD) simulations served to investigate the interaction of 2,3,7,8-tetrachlorodibenzodioxin(PCDD) and cycolodextrins (CD) in gas phase and water model. α-β-,γ-CD were used for the complex formation in this study. The more energetically stable complexes by inclusion with CD calculated based on MM were obtained compared with PCDD and CD alone, respectively. The structural information about the prefered complex formation by inclusion from the MD simulations was also obtained, and the relative stability of complex and the involved molecular interactions were determined. The results of the present MM and MD calculations were discussed, and compared with chemical structures and the relative stability of complexes. (3) The adsorption isotherms of phenol and onto bamboo charcoals and cyclodextrin beads were measured in aqueous solution. The bamboo charcoals used were different types of refinement degree prepared from different route temperature. In general, the adsorption affinities for phenol and bisphenol A increased with decreases in the refinement degree of bamboo charcoals. Phenol adsorbed about 10 times greater than bisphenol A. These results indicated that fine pores size of bamboo charcoals played an important role of the adsorption. The relationship between adsorption affinities and OSQR properties were also discussed in order to determine preferred adsorption behaviors of phenol and bisphenol A onto bamboo charcoals.

(1)在水溶液中测定了非离子表面活性剂与含环糊精（CD）的水溶性聚合物的结合等温线。所用的非离子表面活性剂是具有不同氧杂环结构单元的聚氧乙烯壬基苯基醚。非离子表面活性剂的结合亲和力随着聚合物上的氧杂环单元长度的增加而降低。(2)采用分子力学（MM）和分子动力学（MD）模拟方法研究了气相和水模型中2，3，7，8-四氯二苯并二恶英（PCDD）和环糊精（CD）的相互作用。本实验选用α-β-、γ-环糊精作为复合物的形成剂。与单独的PCDD和CD相比，通过与CD的包合获得了能量更稳定的复合物，基于MM计算。通过分子动力学模拟得到了包合物的结构信息，并确定了包合物的相对稳定性和分子间相互作用。对MM和MD计算结果进行了讨论，并与配合物的化学结构和相对稳定性进行了比较。(3)测定了竹炭和环糊精对苯酚和苯酚的吸附等温线。所用竹炭为不同路线温度下制备的不同细化程度的竹炭。竹炭对苯酚和双酚A的吸附亲和力随竹炭细化程度的降低而增加。苯酚的吸附量约为双酚A的10倍。这些结果表明，竹炭的细孔尺寸对吸附起着重要作用。讨论了竹炭对苯酚和双酚A的吸附亲和力与OSQR性能之间的关系，确定了竹炭对苯酚和双酚A的优先吸附行为。

项目成果

竹炭による環境阻害物質の除去技術開発に関する基礎研究

竹炭去除环境有害物质技术开发基础研究

• 发表时间: 2006
• 期刊: 山口県立大学大学院論集 7
• 作者: 伊原靖二;青山和也;今村主税
• 通讯作者: 今村主税

シクロデキストリンによるダイオキシンの包接効果に関する分子科学的シミュレーション

环糊精包合二恶英效应的分子科学模拟

• 发表时间: 2005
• 期刊: 山口県立大学生活科学部研究報告 31
• 作者: 今村主税;伊原靖二
• 通讯作者: 伊原靖二

Molecular Simulation on Interaction of Polychlorodibenzodioxine and Cyclodextrins

多氯二苯并二恶英与环糊精相互作用的分子模拟

• 发表时间: 2005
• 期刊: Bulletin of Faculty of Human Life Sciences, Yamaguchi Prefectural University 31
• 作者: Chikara IMAMURA;Yasuji IHARA
• 通讯作者: Yasuji IHARA

Binding of Nonionic Surfactants from Aqueous Solution onto Water Soluble Polymer Containing Cyclodextrin

水溶液中的非离子表面活性剂与含有环糊精的水溶性聚合物的结合

• 发表时间: 2004
• 期刊: Bulletin of Faculty of Human Life Sciences, Yamaguchi Prefectural University 30
• 作者: Chikara IMAMURA;Yasuji IHARA
• 通讯作者: Yasuji IHARA

Adsorption of Phenol and Bisphenol A from Aqueous Solution onto Bamboo Charcoals

竹炭对水溶液中苯酚和双酚A的吸附

• 发表时间: 2006
• 期刊: Bulletin of the Graduate Schools, Yamaguchi Prefectural University 7
• 作者: Yasuji Ihara;Kazuya Aoyama;Chikara Imamura
• 通讯作者: Chikara Imamura