The group of Professor Lee Cronin at the University of Glasgow has combined machine learning with a chemical reaction system to speed up the discovery of new chemical reactions, which is an inherently unpredictable and time consuming process. This new approach of an Organic Synthesis Robot uses a Spinsolve Benchtop NMR spectrometer as an integral component. Their work has just been published in the prestigious journal Nature: J. M. Granda, L. Donina, V. Dragone, D.-L. Long and L. Cronin, Nature559, 377–381 (2018), DOI: 10.1038/s41586-018-0307-8
Photograph of the chemical robot
The photo shows the impressive setup of the chemical robot with 27 pumps, valves and six reactors, as well as NMR, IR and MS spectrometers for real-time analytics.
The Spinsolve is not only a perfect tool to teach NMR to Chemistry students, but its performance enables it to be used for serious research. This is evidenced in the published papers from our users. Over the last few months there has been a number of new publications featuring Spinsolve. In this post we will highlight a few of them. Click here for a full comprehensive list of publications.
The permitted hydrocarbon content of discharged water from offshore oil and gas exploration is becoming increasingly limited by more stringent legislation. This creates the demand for measurement methods that are sensitive enough to detect contaminants at ppm level, but also compact and robust to field conditions. The group of Professor Mike Johns at the University of Western Australia in Perth has developed a benchtop NMR method to quantify the hydrocarbon content in water at the ppm level.
Two recent publications (link here and here) in international journals highlight the potential of using the Spinsolve benchtop NMR for real time chemical reaction monitoring. Interest in using NMR spectroscopy to monitor chemical reactions has been increasing as the information can be used to optimise yield and minimise waste in order to enhance sustainability of the production process.
One of papers from the Ley group at Cambridge University (Musio et al., ACS Sustainable Chem. Eng, 2017) describes how real-time reaction monitoring on Fluorine can be used to optimise the reaction and reduce the environmental impact in the synthesis of functional fluorinated products. The other paper from the Blümich group at RWTH Aachen (Singh et al., Anal. Bioanal. Chem., 409, pp 7223–7234, 2017) evaluates the on-line benchtop NMR reaction monitoring method against off-line GC and high-field NMR methods and finds excellent agreement between them.
Serving requests from our followers, we have created a list of selected peer-reviewed publications in which our Spinsolve benchtop NMR spectrometer is featured. Spinsolve is being used for research in topics such as online Reaction Monitoring, Hyperpolarisation, Ultrafast 2D NMR, Residual Dipolar Couplings and Process Control.
The group of Professor Yoshida at the Department of Synthetic Chemistry and Biological Chemistry of Kyoto University has recently published an article showing how Spinsolve benchtop NMR spectroscopy can be used to optimise the reactions of aminating reagents to achieve an efficient C–N bond formation without using any catalyst.
Two nice educational applications of Spinsolve benchtop NMR have been published recently as open access in international journals. These papers can be downloaded for free from the links given below. The first one describes a simple method to measure the octanol-water partition coefficient of an organic compound. The second one demonstrates a method to determine the pKa value of some biologically active pyridine-based drugs.