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Sustainable chemistry with the help of Artificial Intelligence

2025-10-29
(Press-News.org) Amidation reactions are the most common reactions in the chemical industry. They are indispensable for a wide range of industrial production processes, but their ecological footprint is highly problematic. They generate large amounts of toxic waste and are energy-intensive. A team led by Dr Tobias Schnitzer, research group leader at the Institute of Organic Chemistry at the University of Freiburg, is using Artificial Intelligence (AI) to develop innovative, boronic acid-catalysed amidation reactions that do not require toxic reagents, use sustainable solvents and consume little energy. The research project is being funded by the Vector Foundation with £1.5 million over six years. “Our goal is the AI-driven development of an amidation process in which water is the only by-product, which is cost-effective and can significantly improve resource efficiency in the chemical industry,” says Schnitzer.

The development of catalysts for amidation

Around 16% of all reactions in the chemical industry are amidations. They are important for the production of pharmaceuticals, agrochemicals and polymers and play a central role in fine chemicals such as dyes, fragrances and additives. Classic amidation processes use chlorination and coupling reagents that are toxic, explosive or corrosive and produce large quantities of hazardous by-products. They also use toxic and poorly degradable solvents.

The Freiburg research project is developing novel boronic acid catalysts for efficient and sustainable amidations. The starting point is an extensive and structurally diverse catalyst library, which is being studied in high throughput with regard to its catalytic activity. The experimentally determined reactivity of each individual catalyst then serves as the data basis for the development of an AI-based prediction model. This model makes it possible to predict the properties and activities of hundreds of thousands of additional catalysts without their actual synthesis or experimental testing. This saves time, energy and chemical resources already in the development process.

Economical green chemistry

The aim of the research is to identify highly active catalysts that enable the amidation of any starting materials at room temperature in sustainable, bio-based solvents for the first time. The goal is to achieve an energy- and cost-efficient process with minimal waste for one of the most important chemical reactions.

The funded research work thus also makes a quantifiable contribution to achieving the United Nations' global sustainability goals, says Schnitzer: “Our project shows that green chemistry is feasible and economically relevant. I also hope that our work will help to change the image of chemistry – away from a ‘dirty and smelly’ science to a clean and sustainable discipline that delivers innovation and is part of the solution to global challenges.”

 

The Vector Foundation

The Vector Foundation was established in 2011 as a corporate foundation. The Vector Foundation supports an average of 170 projects with approximately twelve million euros annually. Since 2011, it has allocated more than 100 million euros to its charitable work. The Vector Foundation is active in the fields of research, education and social engagement in Baden-Württemberg. Its funding focuses on scientific and technical research projects, STEM education (science, technology, engineering and mathematics) and combating homelessness and youth unemployment.

 

About Dr Tobias Schnitzer

Dr Tobias Schnitzer has been head of the Target-selective Catalysis research group at the Institute of Organic Chemistry at the University of Freiburg since 2023. Among other honours, he has received a Liebig Fellowship from the Chemical Industry Fund and the Eugen Graetz Prize from the University of Freiburg, and is a member of the Baden-Württemberg Foundation's Elite Programme for Postdoctoral Researchers.

 

Contact
Office of University and Science Communications
Unviersity of Freiburg
Tel.: 0761/203-4302
kommunikation@zv.uni-freiburg.de

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[Press-News.org] Sustainable chemistry with the help of Artificial Intelligence