Hafner Michael R, Villanova Laura, Carraro Francesco
Institute of Physical and Theoretical Chemistry, Graz University of Technology 8010 Graz Austria
Faculty of Technical Chemistry, Chemical and Process Engineering, Biotechnology, Graz University of Technology 8010 Graz Austria
CrystEngComm. 2022 Mar 4;24(41):7266-7271. doi: 10.1039/d2ce00073c. eCollection 2022 Oct 25.
The performance of zeolitic imidazolate frameworks (ZIFs) as protective hosts for proteins in drug delivery or biocatalysis strongly depends on the type of crystalline phase used for the encapsulation of the biomacromolecule (biomacromolecule@ZIF). Therefore, quantifying the different crystal phases and the amount of amorphous content of ZIFs is becoming increasingly important for a better understanding of the structure-property relationship. Typically, crystalline ZIF phases are qualitatively identified from diffraction patterns. However, accurate phase examinations are time-consuming and require specialized expertise. Here, we propose a calibration procedure (internal standard ZrO) for the rapid and quantitative analysis of crystalline and amorphous ZIF phases from diffraction patterns. We integrated the procedure into a user-friendly web application, named ZIF Phase Analysis, which facilitates ZIF-based data analysis. As a result, it is now possible to quantify i) the relative amount of various common crystal phases (sodalite, diamondoid, ZIF-CO-1, ZIF-EC-1, U12 and ZIF-L) in biomacromolecule@ZIF biocomposites based on Zn and 2-methylimidazole (HmIM) and ii) the crystalline-to-amorphous ratio. This new analysis tool will advance the research on ZIF biocomposites for drug delivery and biocatalysis.
沸石咪唑酯骨架材料（ZIFs）在药物递送或生物催化中作为蛋白质的保护性载体，其性能很大程度上取决于用于封装生物大分子（生物大分子@ZIF）的晶相类型。因此，量化ZIFs的不同晶相和非晶态含量对于更好地理解结构-性能关系变得越来越重要。通常，从衍射图谱中定性识别结晶ZIF相。然而，精确的相分析既耗时又需要专业知识。在此，我们提出一种校准程序（内标ZrO），用于从衍射图谱中快速定量分析结晶和非晶态ZIF相。我们将该程序集成到一个名为ZIF相分析的用户友好型网络应用程序中，这有助于基于ZIF的数据分析。结果，现在可以量化：i）基于锌和2-甲基咪唑（HmIM）的生物大分子@ZIF生物复合材料中各种常见晶相（方钠石、类金刚石、ZIF-CO-1、ZIF-EC-1、U12和ZIF-L）的相对含量；ii）结晶与非晶态的比例。这种新的分析工具将推动用于药物递送和生物催化的ZIF生物复合材料的研究。
