The Cronin Group

Research in the Cronin Group is motivated by the fascination for complex chemical systems, and the desire to construct complex functional molecular architectures that are not based on biologically derived building blocks.


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A New Approach to Measuring Molecular Complexity using IR, NMS and MS

Researchers from the Digital Chemistry group at the University of Glasgow have developed a new approach to investigate and quantify molecular complexity using assembly theory and spectroscopy. ​ By analysing the number of absorbances in infrared (IR) spectra, carbon resonances in nuclear magnetic resonance (NMR), or molecular fragments in tandem mass spectrometry (MS/MS), the researchers estimated the molecular assembly index (MA) of an unknown molecules. ​ The study also demonstrated the use of 13C diffusion-ordered spectroscopy (DOSY) to analyse mixtures of compounds and determine the MA of individual components. ​ This research opens up new possibilities for studying molecular complexity and has potential applications in drug discovery, the origin of life, and artificial life. ​ The results of the study were published in the journal ACS Central Science.

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Prof. Leroy (Lee) Cronin

Prof Leroy (Lee) Cronin
Regius Chair of Chemistry
Advanced Research Centre (ARC)
Level 5, Digital Chemistry
University of Glasgow
11 Chapel Lane
Glasgow G11 6EW
Tel: +44 141 330 6650
Email: lee.cronin@glasgow.ac.uk

Latest Publications

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499. Electron density-based GPT for optimization and suggestion of host–guest binders

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498. A programmable hybrid digital chemical information processor based on the Belousov-Zhabotinsky reaction

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497. An integrated self-optimizing programmable chemical synthesis and reaction engine

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496. Autonomous execution of highly reactive chemical transformations in the Schlenkputer

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495. Universal chemical programming language for robotic synthesis repeatability

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494. Bringing digital synthesis to Mars

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493. An Autonomous Electrochemical Discovery Robot that Utilises Probabilistic Algorithms: Probing the Redox Behaviour of Inorganic Materials

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492. Reaction Kinetics using a Chemputable Framework for Data Collection and Analysis

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491. Assembly theory explains and quantifies selection and evolution

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490. Digital design and 3D printing of reactionware for on demand synthesis of high value probes


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