Chemistry Institute, Universidade Federal de Mato Grosso do Sul (UFMS), 79070-900, Campo Grande, MS, Brazil; Chemistry Departament, Universidade Estadual de Londrina (UEL), 86.057-970, Londrina, PR, Brazil.
Chemistry Departament, Universidade Estadual de Londrina (UEL), 86.057-970, Londrina, PR, Brazil.
Anal Chim Acta. 2023 Sep 8;1273:341495. doi: 10.1016/j.aca.2023.341495. Epub 2023 Jun 6.
Low-field nuclear magnetic resonance (NMR) has three general modalities: spectroscopy, imaging, and relaxometry. In the last twelve years, the modality of spectroscopy, also known as benchtop NMR, compact NMR, or just low-field NMR, has undergone instrumental development due to new permanent magnetic materials and design. As a result, benchtop NMR has emerged as a powerful analytical tool for use in process analytical control (PAC). Nevertheless, the successful application of NMR devices as an analytical tool in several areas is intrinsically linked to its coupling with different chemometric methods. This review focuses on the evolution of benchtop NMR and chemometrics in chemical analysis, including applications in fuels, foods, pharmaceuticals, biochemicals, drugs, metabolomics, and polymers. The review also presents different low-resolution NMR methods for spectrum acquisition and chemometric techniques for calibration, classification, discrimination, data fusion, calibration transfer, multi-block and multi-way.
低场核磁共振（NMR）有三种主要模式：波谱学、成像和弛豫测量。在过去的十二年中，由于新型永磁材料和设计的出现，波谱学模式（也称为台式 NMR、紧凑型 NMR 或简称低场 NMR）在仪器开发方面取得了进展。因此，台式 NMR 已成为过程分析控制（PAC）中一种强大的分析工具。然而，要使 NMR 设备成功应用于多个领域的分析工具，其与不同化学计量学方法的结合是至关重要的。本文综述了台式 NMR 和化学计量学在化学分析中的发展，包括在燃料、食品、制药、生物化学、药物、代谢组学和聚合物方面的应用。本文还介绍了不同的低分辨率 NMR 谱采集方法和用于校准、分类、判别、数据融合、校准转移、多块和多向的化学计量学技术。
