DEVELOPMENT OF HIGHLY EFFICIENT SEPARATION SYSTEM BY USING MOLECULAR AND ION RECOGNITION BY CALIXARENE COMPOUNDS

利用杯芳烃化合物分子和离子识别开发高效分离系统

基本信息

批准号：
09450293
负责人：
INOUE Katsutoshi
金额：
$ 9.15万
依托单位：
Saga University
依托单位国家：
日本
项目类别：
Grant-in-Aid for Scientific Research (B)
财政年份：
1997
资助国家：
日本
起止时间：
1997 至 1999
项目状态：
已结题

项目摘要

p-tert-octylcalix[4] arene and its monomeric analogue were synthesized to examine and compare their extraction behaviors for various metal ions, especially for lead ion. Lead was selectively extracted over iron(III) with the the former while reverse was the case with the latter reagent. From various experimental result of the extraction of different metal ions, it was elucidated that two lead ions are extracted by unit molecule of calix[4]arene carboxylate, which was confirmed by chemical shifts of H-NMR spectra before and after the extraction of lead ion.A molecular mechanics force field for lanthanoid complexes coordinated to organophosphates and calixarene compounds together with aqua ligands was presented. The ligand-metal-ligand (L-M-L) bending interaction are modeled with 1,3-nonbonded interaction and a harmonic M-L stretching potential was used for the stretching modes. There was good overall agreement between the observed and the calculated structural parameters. The calculatio … More ns also indicated that a quantitative structure property relationship (QSPR) may be obtained, which relates the complexation strain energy difference between the lanthanoid cations and La (III) with their relative extractability. Thus, molecular mechanics was found to be an efficient tool for the molecular design of organophosphorus and calixarene ligands with metal ion specific lanthanoid(III) extractability properties.A basic investigation on solvent extraction of catecholamines such as dopamine, adrenaline and noradrenaline from dilute hydrochloric acid was conducted using D2EHPA in chloriform, hexane and toluene. The stoichiometric relationship and equilibrium constants of the extraction reactions were evaluated. The quantitative structure property relationship of the equilibrium constant for each organic diluent was discussed using molecular modeling with semi-emperical molecular orbital calculations taking account of the diluent effect.New resin of calix[4]arenecarboxylate was synthesized from its monomeric units with no alkyl radicals by crosslinking using trioxane. High selectivity to lead and ferric ions were observed. The maximum adsorption capacity for lead was 2.44 mol/kg, which is nearly the same values of commercial chelating resins. Excellent mutual separation and concentration of lead away from zinc was achieved by using a column packed with this resin. Less

合成了P-TERT-OCTYLCALIX [4] ARENE及其单体类似物，以检查和比较其针对各种金属离子的提取行为，尤其是铅离子。将铅在铁（III）上选择性提取，而后者则是后来的试剂逆转的。 From various experimental result of the extraction of different metal ions, it was elucidated that two lead ions are extracted by unit molecule of calix[4]arene carboxylate, which was confirmed by chemical shifts of H-NMR spectra before and after the extraction of lead ion.A molecular mechanicals force field for lanthanoid complexes coordinated to organophosphates and calixarene compounds together with aqua ligands was presented.用1,3-非键的相互作用对配体金属配体（L-M-L）弯曲相互作用进行建模，并将谐波M-L拉伸势用于拉伸模式。观察到的结构参数与计算的结构参数之间存在良好的总体一致性。计算……更多的NS还表明可以获得定量结构性质关系（QSPR），这将菌株阳离子阳离子与LA（III）之间的络合应变能差与其相对萃取性有关。这是，发现分子力学是具有金属离子特异性植物素（III）可萃取性能的有机磷和钙化配体分子设计的有效工具。对多巴胺，肾上腺素，非肾上腺素中的非肾上腺含量和非甲基甲基的溶液酶的溶剂提取的基本研究甲苯。评估了提取反应的化学计量关系和平衡常数。使用分子建模，使用分子建模，使用分子建模，使用分子建模使用分子建模，该分子建模使用半乳状分子轨道计算来考虑稀释效应。Calix[4] artecarboxylate的新树脂是从其单体单元中均通过使用Trioxane的单体单位来构成的。观察到铅和铁离子的高选择性。铅的最大吸附能力为2.44 mol/kg，这几乎是商业螯合电阻的值。通过使用包装与该树脂的柱子，可以实现极好的相互分离和铅浓度从锌中脱离。较少的