Tallinn University of Technology School of Science, Department of Chemistry and Biotechnology offers a 4-year PhD position in chemistry and biotechnology.

The proposed PhD thesis topic: "New Methods in Mechanochemical Organic Synthesis"

Supervisors: Tenured Full Professor Riina Aav and Senior Researcher Dzmitry Kananovich (TalTech)

Abstract

The PhD project is devoted to expanding the available synthetic portfolio of mechanochemical organic reactions, aiming to solve long-standing challenges of traditional solvent-based approaches by leveraging mechanochemical methods. The project will also focus on elucidating the driving forces in mechanochemical reactions and outlining their mechanisms, based on mechanistic experiments, kinetics measurements, reactivity trends, and stereochemical studies. The developed approaches will be applied to the preparation of bioactive compounds, pharmaceuticals, functional materials, and macrocyclic cavitands for supramolecular chemistry. Analysis of green chemistry metrics will be performed to ensure the sustainable, safe, and environmentally benign nature of the developed protocols.

Description

We are seeking a highly motivated PhD student to join our team and contribute to the development of innovative mechanochemical methods for organic synthesis. The PhD project is devoted to expanding the available synthetic portfolio of mechanochemical organic reactions, aiming to solve long-standing challenges of traditional solvent-based approaches by leveraging mechanochemical methods. We aim to uncover the hidden reactivity of inorganic materials in reactions with organic compounds, potentially leading to the discovery of unprecedented transformations. The reactions will be performed in shaker and planetary mills by grinding solid components with the addition of a few drops of solvents as liquid additives to assist grinding.

The project will also focus on elucidating the driving forces in mechanochemical reactions and outlining their mechanisms, based on mechanistic experiments, kinetics measurements, reactivity trends, and stereochemical studies. The developed approaches will be applied to the preparation of bioactive compounds, pharmaceuticals, functional materials, and macrocyclic cavitands for supramolecular chemistry. Analysis of green chemistry metrics will be performed to ensure the sustainable, safe, and environmentally benign nature of the developed protocols. The successful synthetic protocols will be scaled up from 100 mg to 100 g using in-house mechanochemical equipment and, possibly, other techniques like twin-screw extrusion or resonant acoustic mixing with the help of our academic collaboration network.

Experimental work will be conducted in chemistry research lab equipped with planetary and mixer mills, and suitable for organic synthesis, also access to various chemical analysis methods (like NMR, HPLC, MS, IR, UV, FS, CD, VCD, SC-XRD and PXRD) is available in the group. The PhD student will be supported by Department of Chemistry and Biotechnology and grant of PI (PRG2169)

Responsibilities and (foreseen) tasks:

• Development of new mechanochemical methods for organic synthesis.
• Screening of reaction conditions, analyzing the composition of reaction mixtures, isolating, purifying, and characterizing synthesized compounds.
• Discussing results, generating new ideas, and suggesting improvements.
• Preparing scientific articles and presentations for weekly group meetings, scientific seminars, and international conferences.
• Supervising undergraduate students in the research lab.