Mimicking ‘Coenzyme Q10’... Reborn as an Indestructible Catalyst
< (From left) Dr. Seongyeon Kwon (Postdoctoral Researcher, IBS), Changhyeon Won (Integrated MS/PhD Student, KAIST), Professor Yunjung Baek >
A new concept in catalytic technology has been developed by mimicking the energy-production methods of molecules found in the human body, such as the widely known health supplement ‘Coenzyme Q10.’ A South Korean research team has successfully implemented a self-repeating molecular catalyst system using a key molecule essential for bioenergy production.
KAIST announced on March 26th that a research team led by Professor Yunjung Baek from the Department of Chemistry, in collaboration with Dr. Seongyeon Kwon from the Institute for Basic Science (IBS, Acting President Young-Deuk Kim), has developed a novel molecular catalyst system where 'Quinone'—known as Coenzyme Q10—operates in combination with the metal ‘Titanium (Ti).’
Quinone is a core molecule involved in energy production by transporting electrons and protons within the body. This technology was inspired by the mechanism in mitochondria, the "powerhouse of the cell," where energy is generated by moving electrons and protons together.
Despite these vital functions, quinone faced limitations in artificial chemical reactions; it would easily decompose or be consumed after a single reaction due to the formation of unstable intermediates (semiquinones) during the process.
To solve this problem, the research team introduced a molecular design strategy that bonds quinone with titanium (Ti), a cost-effective and abundant metal. By stabilizing the unstable semiquinone intermediates through interactions with the metal center, they implemented a catalytic system capable of repeatedly performing reactions where electrons and protons move in tandem.
< Conceptual diagram of Proton-Coupled Electron Transfer (PCET) catalyst based on Titanium–Quinone complex >
This study marks the first instance of utilizing quinone—a bioenergy transfer molecule—as a catalyst by controlling its reactivity through metal chemistry. It demonstrates that the stabilization of unstable reaction intermediates can serve as a core element in catalyst design. This presents new possibilities for developing next-generation artificial catalysts that precisely control chemical reactions.
< AI-generated image >
Professor Yunjung Baek stated, "We have overcome the limitations of quinone—which plays a crucial role in nature but has been difficult to utilize in artificial systems—through metal chemistry." She added, "This research suggests a new direction for the design of next-generation energy and environmental catalysts, as well as biomimetic chemical technologies based on biological molecules."
Changhyeon Won, an integrated MS/PhD student in the KAIST Department of Chemistry, participated as the lead author. The achievement was published on February 20th in the Journal of the American Chemical Society (JACS), an international academic journal published by the American Chemical Society (ACS).
Paper Title: Orchestrating the Semiquinone Stability for Catalytic Proton-Coupled Electron Transfer
DOI: 10.1021/jacs.5c21171
Author Information: A total of four authors including Changhyeon Won (KAIST, First Author), Seongyeon Kwon (IBS, Second Author), Dongwook Kim (IBS, Third Author), and Yunjung Baek (KAIST, Corresponding Author).
This research was conducted with support from the "Excellent Young Researcher" program under the Individual Basic Research Project supported by the Ministry of Science and ICT, the Global Science Research Center (SRC) of the National Research Foundation of Korea, and the "Materials and Components Development Project" supported by the Ministry of Trade, Industry and Energy.
Reborn as an Artificial Enzyme to Protect the Environment and Health
<(From left) Dr. Neetu Singh, Ph.D candidate Haneul Im, Dr. Seongyeon Kwon (IBS) (Back) Professor YunJung Baek>
Vitamin B2 (riboflavin), which we consume, acts as an important coenzyme that helps food convert into energy within the body. Korean researchers have successfully created a new artificial enzyme for the first time in the world by combining this riboflavin (flavin) with metal, adding the metal's reaction-controlling ability to riboflavin's electron-transfer function. This technology is expected to operate more precisely and stably than natural enzymes, demonstrating potential for use in various fields such as energy production, environmental purification, and new drug development.
The research team led by Professor Yunjung Baek of KAIST Department of Chemistry, in collaboration with Dr. Seongyeon Kwon of the Institute for Basic Science, announced on the 11th of November that they have succeeded in synthesizing a new molecular system that allows flavin to bind with metal ions.
Until now, scientists have long been unable to realize "flavin combined with metal" because flavin has a structural limitation—a complex ring structure entangled with nitrogen and oxygen—which makes it difficult for a metal to selectively bind.
To overcome this limitation, the research team designed a binding site for the metal within the flavin at the molecular level and applied a metallochemical approach that precisely arranges the ligand structure that traps the metal.
Through this, they successfully and stably synthesized the flavin-metal complex by delicately controlling the electronic and spatial interactions around the metal.
This achievement is the first case that integrates flavin's inherent properties and metal's reactivity into a single system, opening up the possibility for the development of 'metal-based artificial enzymes' that finely tune chemical reactions.
Professor Yunjung Baek stated, "We have moved beyond the limitations of naturally occurring flavin and expanded a biomolecule into a new component of metallochemistry. This research suggests a new direction for the design of next-generation catalysts and energy conversion materials based on biomolecules."
This achievement, in which Dr. Neetu Singh and Ph.D candidate Haneul Im of KAIST Department of Chemistry participated as co-first authors, was published in the international journal Inorganic Chemistry, issued by the American Chemical Society (ACS), on November 5th. It was recognized for its creativity and completeness and was selected as the cover article. Furthermore, it was chosen as an ACS Editors’ Choice—a representative paper selected once a day from all 90+ journals published by ACS—acknowledging the importance of the research.
Article Title: Tautomerizable Flavin Ligands for Constructing Primary and Secondary Coordination Spheres, DOI: 10.1021/acs.inorgchem.5c03941
Author Information: Total 5 authors including Neetu Singh (KAIST, Co-first Author), Haneul Im (KAIST, Co-first Author), Seongyeon Kwon (IBS, Co-second Author), Dongwook Kim (IBS, Co-third Author), and Yunjung Baek (KAIST, Corresponding Author).
<Cover Article Selection Photo for Inorganic Chemistry, an International Academic Journal Published by the American Chemical Society>
This research was supported by the 'Excellent New Researcher' project of the Basic Research Program for Individuals funded by the Ministry of Science and ICT, and the 'Materials and Components Development Program' supported by the Ministry of Trade, Industry and Energy.