Your doctoral research focuses on hemicucurbiturils. Could you explain what these cool-sounding molecules are and what their primary function is?

Hemicucurbiturils belong to the cucurbituril family, a group of fascinating molecules named after Cucurbitaceae, the Latin word for "pumpkin," because of their shape. Cucurbiturils do not exist in nature, they are designed and synthesized in laboratories to possess specific structural and functional properties. These macrocyclic molecules have a hollow, barrel-like structure with a cavity that can trap and hold other smaller compounds, making them excellent molecular containers. This means that the macrocycles form host-guest complexes with smaller species and give us control over their behaviour, for example, enabling guest stabilization, delivery to specific places and design of smart materials.

What led you to the study of hemicucurbiturils, and how did you recognize this as an intriguing research focus?

Macrocycles have attracted enormous attention as functional supramolecular receptors, which can be described as molecular "locks" able to recognize and hold onto specific "keys" (smaller molecules or ions). Ring-shaped molecules are incredibly versatile and can be designed to bind to specific targets, for instance drugs or various pollutants, and assist their sensing, delivery or remediation. Hemicucurbiturils are particularly exciting because they can form host-guest complexes with a wide range of anions and small organic compounds, including environmental contaminants. 
However, creating hemicucurbiturils is not straightforward. A big part of my research focused on unraveling the complex puzzle of their synthesis. Detailed analysis of reaction mixtures containing numerous intermediates and products allowed us to understand how these molecules form, and to optimize the process for better results.

Your research studies the mechanosynthesis of hemicucurbiturils. Could you briefly outline how this process works and highlight any key discoveries you made regarding their synthesis?

Mechanochemistry is revolutionizing the way we approach organic synthesis. Using mechanical energy to drive chemical reactions eliminates the need for solvents, which are a major source of waste in the chemical industry. This makes it a cleaner and more sustainable alternative to traditional methods. Beyond being eco-friendly, mechanosynthesis offers practical advantages such as simpler setups, faster reactions, greater selectivity, and milder conditions. 

Our research group is passionate about advancing this innovative approach, and I have had the opportunity to contribute by analyzing the complex outcomes of mechanochemical reactions to optimize their performance. In one project, we developed a solvent-free amidation protocol, which was then successfully applied to the challenging derivatization of hemicucurbiturils. In another study, we successfully assembled a mono-functionalized macrocycle with remarkable selectivity, combining different building blocks directly in the solid state.

How might these molecules be useful in the real world?

Hemicucurbiturils can form host-guest complexes with other compounds, and therefore find application in molecular recognition. This capability can be used for selective sensing, transport, removal of pollutants and more. In our research group we are especially excited about finding their application for selective capture of environmental contaminants and design of functional materials for sensing and analysis.

You are from Belarus. Why did you decide to pursue your doctoral research in Estonia, and what are your future career plans?

In Belarus my work was related to R&D and tightly regulated quality control of anti-tumor drugs—a field that is both deeply important and highly rewarding. 

Yet, I found myself drawn to the world of academic research, where my background in analytical chemistry could be applied to explore new and exciting phenomena. Pursuing a PhD abroad seemed like the perfect opportunity to gain fresh skills, embrace unique challenges, and step out of my comfort zone. Estonia stood out with its excellent study programs and supportive environment for PhD students, and I was lucky to have found a position that matched my interests. 

By the end of doctoral studies my supervisor Professor Riina Aav offered me a position in her research group—a fantastic opportunity I gladly accepted. Now I am involved in several projects related to new supramolecular receptors, mechanochemistry, green synthesis of pharmaceuticals, and circular economy. These cutting-edge areas hold incredible potential, and I am excited to contribute to discoveries that could make a real difference!