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低成本专用超低场核磁共振波谱仪。

Low-Cost Purpose-Built Ultra-Low-Field NMR Spectrometer.

作者信息

Chowdhury Md Raduanul H, Ahmed Firoz, Oladun Clementinah, Adelabu Isaiah, Abdurraheem Abubakar, Nantogma Shiraz, Birchall Jonathan R, Gafar Tobi Abdulbasit, Chekmenev Yuri A, Nikolaou Panayiotis, Barlow Michael J, Goodson Boyd M, Shcherbakov Anton, Chekmenev Eduard Y

机构信息

Department of Chemistry, Integrative Biosciences (Ibio), Wayne State University, Karmanos Cancer Institute (KCI), Detroit, Michigan 48202, United States.

School of Chemical & Biomolecular Sciences and Materials Technology Center, Southern Illinois University, Carbondale, Illinois 62901, United States.

出版信息

Anal Chem. 2024 Oct 22;96(42):16724-16734. doi: 10.1021/acs.analchem.4c03149. Epub 2024 Oct 8.

Abstract

Low-field NMR has emerged as a new analytical technique for the investigation of molecular structure and dynamics. Here, we introduce a highly integrated ultralow-frequency NMR spectrometer designed for the purpose of ultralow-field NMR polarimetry of hyperpolarized contrast media. The device measures 10 cm × 10 cm × 2.0 cm and weighs only 370 g. The spectrometer's aluminum enclosure contains all components, including an RF amplifier. The device has four ports for connecting to a high-impedance RF transmit-receive coil, a trigger input, a USB port for connectivity to a PC computer, and an auxiliary RS-485/24VDC port for system integration with other devices. The NMR spectrometer is configured for a pulse-wait-acquire-recover pulse sequence, and key sequence parameters are readily controlled by a graphical user interface (GUI) of a Windows-based PC computer. The GUI also displays the time-domain and Fourier-transformed NMR signal and allows autosaving of NMR data as a CSV file. Alternatively, the RS485 communication line allows for operating the device with sequence parameter control and data processing directly on the spectrometer board in a fully automated and integrated manner. The NMR spectrometer, equipped with a 250 ksamples/s 17-bit analog-to-digital signal converter, can perform acquisition in the 1-125 kHz frequency range. The utility of the device is demonstrated for NMR polarimetry of hyperpolarized Xe gas and [1-C]pyruvate contrast media (which was compared to the C polarimetry using a more established technology of benchtop C NMR spectroscopy, and yielded similar results), allowing reproducible quantification of polarization values and relaxation dynamics. The cost of the device components is only ∼$200, offering a low-cost integrated NMR spectrometer that can be deployed as a plug-and-play device for a wide range of applications in hyperpolarized contrast media production─and beyond.

摘要

低场核磁共振已成为一种用于研究分子结构和动力学的新型分析技术。在此,我们介绍一种高度集成的超低频核磁共振光谱仪,其设计目的是用于超极化造影剂的超低频核磁共振极化分析。该设备尺寸为10 cm×10 cm×2.0 cm,重量仅370 g。光谱仪的铝制外壳包含所有组件,包括一个射频放大器。该设备有四个端口,用于连接高阻抗射频发射 - 接收线圈、一个触发输入、一个用于连接个人计算机的USB端口,以及一个用于与其他设备进行系统集成的辅助RS - 485/24VDC端口。该核磁共振光谱仪配置了脉冲 - 等待 - 采集 - 恢复脉冲序列,关键序列参数可通过基于Windows的个人计算机的图形用户界面(GUI)轻松控制。该GUI还显示时域和傅里叶变换后的核磁共振信号,并允许将核磁共振数据自动保存为CSV文件。另外,RS485通信线路允许以完全自动化和集成的方式在光谱仪板上直接进行序列参数控制和数据处理来操作该设备。该核磁共振光谱仪配备了一个250 ksamples/s的17位模数信号转换器,可在1 - 125 kHz频率范围内进行采集。该设备的实用性通过超极化氙气和[1 - C]丙酮酸造影剂的核磁共振极化分析得到了证明(将其与使用更成熟的台式碳核磁共振光谱技术进行的碳极化分析进行了比较,结果相似),从而能够对极化值和弛豫动力学进行可重复的定量分析。该设备组件的成本仅约200美元,提供了一种低成本的集成核磁共振光谱仪,可作为即插即用设备部署,用于超极化造影剂生产及其他广泛应用。

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