THEORETICAL STUDIES ON MOLECULAR IMPRINTED INTERACTION BETWEEN ENROFLOXACIN AND METHACRYLIC ACID

Yan-ling Wang; Jun-bo Liu; Jia-ni Sun; Shan-shan Tang; Rui-fa Jin

doi:10.3724/SP.J.1105.2013.13117

您当前的位置：

首页 >

文章列表页 >

THEORETICAL STUDIES ON MOLECULAR IMPRINTED INTERACTION BETWEEN ENROFLOXACIN AND METHACRYLIC ACID

Research Article | 更新时间：2021-03-19

- THEORETICAL STUDIES ON MOLECULAR IMPRINTED INTERACTION BETWEEN ENROFLOXACIN AND METHACRYLIC ACID
- Acta Polymerica Sinica Issue 12, Pages: 1525-1530(2013)
- 作者机构：
  
  1. 吉林农业大学资源与环境学院,长春,130118
  2. 赤峰学院化学化工学院,赤峰,024000
- 作者简介：
- 基金信息：
- DOI：10.3724/SP.J.1105.2013.13117
  CLC：
- Published：20 December 2013，
扫描看全文
Yan-ling Wang, Jun-bo Liu, Jia-ni Sun, Shan-shan Tang, Rui-fa Jin. THEORETICAL STUDIES ON MOLECULAR IMPRINTED INTERACTION BETWEEN ENROFLOXACIN AND METHACRYLIC ACID. [J]. Acta Polymerica Sinica (12):1525-1530(2013)
DOI：

Yan-ling Wang, Jun-bo Liu, Jia-ni Sun, Shan-shan Tang, Rui-fa Jin. THEORETICAL STUDIES ON MOLECULAR IMPRINTED INTERACTION BETWEEN ENROFLOXACIN AND METHACRYLIC ACID. [J]. Acta Polymerica Sinica (12):1525-1530(2013) DOI： 10.3724/SP.J.1105.2013.13117.

摘要

以恩诺沙星（ENRO）为模板分子，甲基丙烯酸（MAA）为功能单体，通过密度泛函方法（DFT）模拟模板分子ENRO与功能单体MAA自组装分子印迹聚合物体系的构型，研究模板与单体在其不同印迹比例时形成的稳定复合物的成键情况及反应的结合能，比较ENRO与MAA不同印迹比例时分子印迹相互作用的强弱及其作用原理，探讨ENRO与MAA合成MIPs的最佳印迹比例.计算结果显示，模板分子ENRO与功能单体MAA的印迹比例为1：4时，制备的复合物结合能最低，结构最稳定.同时采用不同印迹比例合成恩诺沙星分子印迹聚合物（ENRO-MIPs）并测定各聚合物的吸附性，结果印迹比例为1：4时制备的聚合物的吸附量远大于其他印迹比例聚合物的吸附量.研究表明，实验结果与计算结果具有一致性.因此，理论化学计算模拟对分子印迹聚合物合成时印迹比例的选择具有很好的指导作用.

Abstract

Enrofloxacin (ENRO) was taken as a template molecule and methacrylic acid (MAA) was taken as a functional monomer.To investigate the best imprinting ratio of ENRO and MAA

the density functional theory (DFT) of quantum chemistry was used to simulate the self-assembly system of the molecularly imprinted polymers (MIPs) formed by ENRO and MAA.The geometry optimization

the bonding situation and the binding energies of ENRO with MAA in different proportions were studied.The molecular imprinting mechanism and the interaction strength between ENRO and MAA were also discussed.The results showed that the compound of the ratio of ENRO-MAA (1:4) had the lowest binding energy and the most stable structure.In addition

the MIPs of different imprinting ratios of ENRO and MAA were prepared to study the binding capacity of the polymers.The experimental results showed that the MIPs synthesized by ENRO and MAA with the ratio of 1:4 had the best adsorption capacity.The results showed that the conclusion of experiments was consistent with the results of calculation.Quantum chemistry could be used to guide the optimization of the imprinting ratio of the MIPs.

关键词

恩诺沙星甲基丙烯酸分子印迹印迹比例计算模拟吸附性能

Keywords

EnrofloxacinMethacrylic acidMolecular imprintingImprinting ratioComputational SimulationAdsorption properties

references

更多指标>

Views

下载量

CSCD

Alert me when the article has been cited

提交

Tools

Publicity Resources

Studies on Melamine Molecularly Imprinted Polymers by Computers Aided Design

Preparation of L-Carnitine Molecularly Imprinted Polymers and Recognition Charateristics

SURFACE MOLECULAR IMPRINTED LAYER-BY-LAYER FILM

PREPARATION OF CHOLESTEROL IMPRINTED POLYMERIZED ORGANOGEL AND SELECTIVITY ADSORPTION ABILITY

Related Author

No data

Related Institution

School of Materials Science and Engineering, Tianjin Polytechnic University

State Key Laboratory of Hollow Fiber Membrane Materials and Processes, School of Environmental and Chemical Engineering, Tianjin Polytechnic University

Textile Division, Tianjin Polytechnic University

Postal code：100190
Tel：010-62588927 Email：gfzxb@iccas.ac.cn
Technical support is provided by Beijing Founder electronics co., LTD 京ICP备05002797号-8 京公网安备11010802024621
It is recommended to read the content of this site in Chrome&IE9+. Please switch to extreme mode in browser 360.
Cookies We use cookies to help provide and enhance our service and tailor content. By continuing, you agree to the use of cookies.

⁰