Dyga Marco, Oppel Christoph, Gooßen Lukas J
Fakultät für Chemie und Biochemie, Ruhr-Universität Bochum, 44801 Bochum, Germany.
HardwareX. 2021 Jun 23;10:e00211. doi: 10.1016/j.ohx.2021.e00211. eCollection 2021 Oct.
Benchtop nuclear magnetic resonance (NMR) spectrometers are versatile analytic instruments with low acquisition and operation cost. However, in the basic version, samples must be manually measured one after the other. We herein describe the open-source autosampler RotoMate that allows the automated operation of such instruments. The hardware is easily assembled from 3D-printed and inexpensive off-the-shelf parts, and is controlled by an . A software package interlinks the operation of the autosampler with the software of the NMR spectrometer and the software for the processing of the spectra. Experiments for up to 30 samples can be inserted into an interactive sample list. The autosampler automatically inserts and ejects the samples, initiates measurements on the spectrometer according to parameters specified in the sample list, and interacts with a common NMR software in the processing and visualization of the obtained spectroscopic raw data. If an internal standard is present, conversions and yields of chemical reactions are automatically calculated, enabling e.g. the monitoring of reactions. The device was fitted to a instrument and can interact with a free academic version of ACD NMR software to process the spectra, but can likely be adapted to similar instruments and spectroscopy software packages.
台式核磁共振（NMR）光谱仪是一种多功能分析仪器，具有较低的采集和运行成本。然而，在基本版本中，样品必须逐个手动测量。我们在此描述了开源自动进样器RotoMate，它可实现此类仪器的自动化操作。硬件由3D打印的廉价现成部件轻松组装而成，并由一个……控制。一个软件包将自动进样器的操作与NMR光谱仪的软件以及光谱处理软件相互连接。多达30个样品的实验可以插入到一个交互式样品列表中。自动进样器自动插入和弹出样品，根据样品列表中指定的参数在光谱仪上启动测量，并在处理和可视化所获得的光谱原始数据时与通用的NMR软件进行交互。如果存在内标，则会自动计算化学反应的转化率和产率，例如可用于监测反应。该设备安装在一台……仪器上，并且可以与免费的学术版ACD NMR软件交互以处理光谱，但很可能也适用于类似的仪器和光谱软件包。
