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New method for synthesising complex molecules

Date:
June 30, 2017
Source:
University of the Basque Country
Summary:
A recent computational modelling-based study aimed to understand the processes involved in chemical synthesis and improve them, report investigators.
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A computational modelling-based study to understand the processes involved in chemical synthesis and improve them has been published recently in the journal Nature Communications by the research group led by Prof Enrique Gómez-Bengoa of the Department of Chemistry I of the UPV/EHU-University of the Basque Country in collaboration with the group of Prof Cristina Nevado of the University of Zürich.

"Virtually all today's drugs," explained Enrique Gómez-Bengoa, "are organic compounds that are industrially synthesised in very complex, often labyrinthine processes, which are also expensive. Other substances such as herbicides or pesticides also belong to this same family of organic molecules with biological activity. And they are not the only ones; all the molecules present in living organisms, hormones, primary and secondary metabolites or those responsible for giving food its smell and taste are included. Nature has been spontaneously synthesising these substances for millions of years and we have learnt to prepare them in the lab using similar methods in some cases."

The results of this lab work by the research group led by Prof Enrique Gómez-Bengoa of the Department of Chemistry I of the UPV/EHU in collaboration with the group of Prof Cristina Nevado of the Department of Chemistry of the University of Zürich, have been published recently in the journal Nature Communications. "The bulk of the research in which the experimental methods, the lab reactions were carried out, was done by Prof Nevado's group. There they developed a new, very powerful method for synthesising one type of structurally complex, cyclic molecules very efficiently, rapidly and without using particularly problematic reagents. The discovery is based on the use of a radicalic process (using a radical-based reaction) in a single phase, when several phases were necessary in the past to achieve the same aim. The contribution of our group in Donostia-San Sebastian was to study these reactions using computational calculation methods in order to understand how they take place, what their mechanism is. Nowadays computers allow us to 'see' how atoms move during a chemical reaction," explained Prof Enrique Gómez-Bengoa.

In fact, the calculations in this study were made in the UPV/EHU's scientific calculation cluster, which is "state-of-the-art in this subject and provides many research groups with a service underpinned by the indispensable assistance of the personnel in our university's General Computing Services (SGIker)."


Story Source:

Materials provided by University of the Basque Country. Note: Content may be edited for style and length.


Journal Reference:

  1. Wei Shu, Adriana Lorente, Enrique Gómez-Bengoa, Cristina Nevado. Expeditious diastereoselective synthesis of elaborated ketones via remote Csp3–H functionalization. Nature Communications, 2017; 8: 13832 DOI: 10.1038/ncomms13832

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University of the Basque Country. "New method for synthesising complex molecules." ScienceDaily. ScienceDaily, 30 June 2017. <www.sciencedaily.com/releases/2017/06/170630124256.htm>.
University of the Basque Country. (2017, June 30). New method for synthesising complex molecules. ScienceDaily. Retrieved June 14, 2024 from www.sciencedaily.com/releases/2017/06/170630124256.htm
University of the Basque Country. "New method for synthesising complex molecules." ScienceDaily. www.sciencedaily.com/releases/2017/06/170630124256.htm (accessed June 14, 2024).

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