Marć Mariusz, Wojnowski Wojciech, Pena-Pereira Francisco, Tobiszewski Marek, Martín-Esteban Antonio
Department of Analytical Chemistry, Faculty of Chemistry, Gdańsk University of Technology (GUT), ul. G. Narutowicza 11/12, 80-233 Gdańsk, Poland.
Department of Chemistry, University of Oslo, P.O. Box 1033-Blindern, 0315 Oslo, Norway.
ACS Sustain Chem Eng. 2024 Jul 13;12(33):12516-12524. doi: 10.1021/acssuschemeng.4c03874. eCollection 2024 Aug 19.
Molecular imprinting technology is well established in areas where a high selectivity is required, such as catalysis, sensing, and separations/sample preparation. However, according to the Principles of Green Chemistry, it is evident that the various steps required to obtain molecularly imprinted polymers (MIPs) are far from ideal. In this regard, greener alternatives to the synthesis of MIPs have been proposed in recent years. However, although it is intuitively possible to design new green MIPs, it would be desirable to have a quantitative measure of the environmental impact of the changes introduced for their synthesis. In this regard, this work proposes, for the first time, a metric tool and software (termed AGREEMIP) to assess and compare the greenness of MIP synthesis procedures. AGREEMIP is based on 12 assessment criteria that correspond to the greenness of different reaction mixture constituents, energy requirements, and the details of MIP synthesis procedures. The input data of the 12 criteria are transformed into individual scores on a 0-1 scale that in turn produce an overall score through the calculation of the weighted average. The assessment can be performed using user-friendly open-source software, freely downloadable from mostwiedzy.pl/agreemip. The assessment result is an easily interpretable pictogram and visually appealing, showing the performance in each of the criteria, the criteria weights, and overall performance in terms of greenness. The application of AGREEMIP is presented with selected case studies that show good discrimination power in the greenness assessment of MIP synthesis pathways.
分子印迹技术在需要高选择性的领域，如催化、传感以及分离/样品制备等方面已得到广泛应用。然而，根据绿色化学原理，显而易见的是，制备分子印迹聚合物（MIP）所需的各个步骤远非理想。在这方面，近年来已提出了更环保的MIP合成替代方法。然而，尽管直观上有可能设计新的绿色MIP，但对于其合成过程中所引入变化的环境影响，若能有一个定量的衡量标准则更为理想。在这方面，本研究首次提出了一种度量工具和软件（称为AGREEMIP），用于评估和比较MIP合成程序的绿色程度。AGREEMIP基于12个评估标准，这些标准对应于不同反应混合物成分的绿色程度、能量需求以及MIP合成程序的细节。这12个标准的输入数据被转换为0到1范围内的个体分数，进而通过加权平均计算得出总分。评估可使用用户友好的开源软件进行，该软件可从mostwiedzy.pl/agreemip免费下载。评估结果是一个易于解读的象形图，视觉效果良好，展示了每个标准的表现、标准权重以及绿色程度方面的整体表现。通过选定的案例研究展示了AGREEMIP的应用，这些案例研究在MIP合成途径的绿色程度评估中显示出良好的区分能力。
