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KAIST Develops Hydrogel Material with Improved Skin Adhesion and Controllable Degradation Rate
<(From Left) Researcher Han-Yeol Yang, Professor Haeshin Lee>
Could wound healing dressings adhere better, and drug delivery patches become more sophisticated? A KAIST research team has developed a technology that leverages natural ingredients derived from plants to increase the strength of seaweed-based hydrogel (a gel material that contains a large amount of water while maintaining its shape) by more than fivefold, while also controlling its adhesiveness and degradation rate.
KAIST announced on June 9th that a research team led by Professor Haeshin Lee from the Department of Chemistry has developed a new material design strategy that utilizes tannic acid—a type of polyphenol, which is a natural antioxidant abundant in tea and fruits—to enhance the mechanical strength and adhesiveness of seaweed-derived hydrogel and to control its degradation rate.
Hydrogel is a high-moisture gel material used in contact lenses, acne patches, mask packs, and wound healing dressings. Because it can adhere closely to the skin while holding drugs or active ingredients, it is being utilized in various bio and healthcare fields, such as drug delivery systems (materials that effectively deliver drugs to desired sites), wound dressings (medical dressings that protect wounds and aid healing), tissue engineering scaffolds (structures that help regenerate artificial tissue), and cosmetic materials.
Among various hydrogel materials, the research team focused on 'κ-Carrageenan'. κ-Carrageenan is a natural polymer extracted from red seaweed (rhodophytes) such as agar-agar, and it is a familiar food ingredient used to increase the viscosity and maintain the shape of jellies and sauces. However, there were limitations to improving the performance of hydrogels made with κ-Carrageenan. The κ-Carrageenan molecule contains many structures called sulfate groups, which create intermolecular repulsion—much like magnets of the same pole pushing each other away—and prevent the formation of a dense structure. For this reason, it was difficult to increase the strength and adhesiveness of the hydrogel or to adjust the degradation rate to a desired level.
To solve this problem, the research team focused on finding a natural substance that could effectively interact with the sulfate groups. As a result, they determined that tannic acid, a natural polyphenol abundant in tea and fruits, could be a promising candidate.
Polyphenols are natural ingredients produced by plants to protect themselves from external environments such as ultraviolet rays or pests, and they have the characteristic of being able to bind with multiple substances simultaneously. In particular, tannic acid has multiple binding sites (galloyl groups), so it was expected to interact strongly with the sulfate groups of κ-Carrageenan and connect the molecules together. The research team believed that this characteristic could be utilized to reinforce the hydrogel structure.
As a result of the study, it was confirmed that the sulfate group, which was previously considered a factor hindering hydrogel formation, actually acts as a core binding site with tannic acid. In other words, the structure that was previously considered a "weakness" played a role in making the hydrogel even firmer upon meeting tannic acid.
< Research Image Related to Polyphenol Interactions >
In fact, the storage modulus (an index representing the firmness and elasticity of a gel) of the κ-Carrageenan hydrogel with added tannic acid was approximately 1,632 Pa, showing an improvement of more than fivefold compared to the pure κ-Carrageenan hydrogel (approximately 294 Pa). This means that the hydrogel can maintain its shape more stably even under external pressure or deformation, demonstrating that it can increase the durability and usability of wound healing dressings or drug delivery patches.
In addition, the research team confirmed that tannic acid stably reinforces the internal network structure (gel network) of the already formed hydrogel, regardless of the point in time when the tannic acid is added. This implies that tannic acid connects molecules at multiple points, allowing the internal structure of the hydrogel to remain consistently firm.
Notably, the research team succeeded in implementing rapid degradability and strong adhesiveness simultaneously. In experiments simulating the human stomach and intestinal environments, the hydrogel containing tannic acid degraded relatively quickly while adhering strongly to the skin and rough surfaces. This means that wound healing dressings will not easily fall off during use but can naturally degrade after completing their role, and drug delivery patches can be utilized to stably deliver drugs for a desired period.
This study is meaningful in that it presented a design principle capable of simultaneously controlling the strength, adhesiveness, and degradation rate of hydrogel using only food-grade natural ingredients without complex chemical synthesis processes. The research team expects this technology to be utilized in various bio and healthcare fields, such as capsules and coating materials for food and functional foods, skin-adhering cosmetics and skincare products, wound dressings, drug delivery patches, and tissue engineering scaffolds.
<Research Image (AI-Generated)>
Professor Haeshin Lee said, "This study is an example showing that the mechanical strength, adhesiveness, and degradation behavior of hydrogel can be designed together using only naturally derived materials," adding, "It can be expanded into a safer and simpler natural polymer gel platform in the fields of food, cosmetics, and biomaterials."
This study, in which PhD student Han-Yeol Yang participated as the first author, was published on April 21st in 'Biomimetics', an international academic journal in the field of biomimetics. ※ Paper Title: Adhesive κ-Carrageenan Hydrogels by Polyphenol Intervention, DOI: 10.3390/biomimetics11040290
Meanwhile, this research was conducted with research funding support from Polyphenol Factory Inc., a faculty-led startup enterprise of KAIST.
2026.06.09 View 498 -
KAIST Resolves Long-standing Challenge of Performance Degradation in Stacked 2D Materials
<(Clockwise from the lower right) Sarah S. Park (KAIST), Geunchan Park (POSTECH, first author), Sangwon Moon (second author), and Jaekyung Yi (third author). (Top) Christopher H. Hendon (University of Oregon, fourth author>
KAIST researchers develop a next-generation 2D conductive material that maintains single-layer electronic properties even when multi-layered, accelerating the commercialization of next-generation electronic and quantum devices.
Two-dimensional (2D) materials, which are significantly thinner than a single sheet of paper, have long drawn attention for their exceptional performance. However, they have faced a critical limitation: their performance degrades significantly when multiple layers are stacked.
A research team at KAIST has successfully resolved this long-standing bottleneck by developing a new conductive material that retains its single-layer electronic characteristics even when stacked in multiple layers. This breakthrough is expected to accelerate the commercialization of next-generation electronic devices and quantum materials.
KAIST (President Kwang-Hyung Lee) announced on June 8th that a research team led by Professor Sarah S. Park from the Department of Chemistry, in collaboration with Professor Christopher H. Hendon from the University of Oregon, has developed a new 2D conductive Metal-Organic Framework (MOF). This novel material maintains high electrical conductivity while minimizing interlayer interference.
Because 2D materials are atomically thin, electrons can move through them at ultra-high speeds, making them prime candidates for next-generation semiconductors and quantum materials. However, for practical applications, multiple layers must be stacked. When this happens, interlayer interactions obstruct electron movement, leading to performance degradation—similar to how cars driving fast on separate roads experience traffic congestion at an intersection. In particular, while 2D conductive MOFs exhibit outstanding performance in their single-layer state, their inherent electronic properties weaken in the bulk state, where multiple layers are piled up.
To solve this problem, the research team focused on the "angle" of alignment to prevent the layers from directly interfering with each other. The newly designed molecular structure ensures that even when multiple layers are stacked, each layer is arranged at a specific angle, minimizing direct face-to-face contact. This operates on a similar principle to stacking a deck of cards with a slight twist rather than flushing them perfectly, preventing them from sticking together. As a result, interlayer interactions were reduced, allowing electrons to move more freely. To achieve this structure, the team designed a triptycene-based molecule and used it to synthesize the new 2D conductive MOF material.
The newly developed material, named Ni₃(HITrip)₂ was found to preserve an electronic structure highly similar to that of a single layer, even in a multi-layered state. Notably, it retained a unique electronic structure (the Dirac band structure of a Kagome lattice) that allows electrons to move rapidly and efficiently. This structure is highly advantageous for achieving high electrical conductivity, enabling electrons to travel at high speeds as if on a highway without complex obstacles. This demonstrates that an electronic structure previously thought to be achievable only in a single layer can now be maintained in actual multi-layered bulk materials.
In fact, this material exhibited a high electrical conductivity of 0.58 S/cm without any additional doping (a process of introducing impurities to enhance electrical properties), proving that excellent electrical performance can be achieved while mitigating interlayer interference.
Through computational modeling and spectroscopic analysis, the research team also uncovered the underlying mechanism behind this high conductivity. They confirmed that within the material, the molecules and metal atoms work cooperatively to facilitate electron transport, creating a stable environment for electron movement.
This study holds great significance as it resolves a long-standing challenge in 2D materials: the phenomenon where "stacking degrades performance." By demonstrating that superior electronic properties previously limited to single layers can be realized in bulk materials, this research marks a vital turning point in connecting fundamental research to practical technology.
The research team anticipates that these findings will be widely utilized in the development of high-performance electronic devices and next-generation energy materials. Furthermore, by opening new possibilities for research into quantum materials and topological materials (next-generation functional materials with unique electron transport properties), this breakthrough is expected to contribute significantly to the advancement of future semiconductor and quantum information technologies. Crucially, because the material retains its excellent electronic properties even when stacked, it will broaden the scope of functional material design required for manufacturing actual devices.
Professor Sarah S. Park stated, "This research demonstrates that 2D electronic structures, which were previously thought to be possible only in single layers, can now be realized in bulk materials. By precisely controlling interlayer interactions, a new pathway will open for implementing diverse quantum properties and electronic characteristics in practical materials."
Ph.D candidate Geunchan Park participated as the first author, alongside co-authors Sangwon Moon, Jaekyung Yi, Christopher H. Hendon, and corresponding author Sarah S. Park. The study was published on April 8th in the Journal of the American Chemical Society (JACS), a prestigious international scientific journal in chemistry.
2026.06.08 View 386 -
KAIST Develops New Catalyst Design Technology to Improve Battery and Hydrogen Fuel Cell Performance
<(From Left) Professor Seung Jun Hwang, Professor Jaeyune Ryu>
Korean researchers have developed a new catalyst design technology that can improve the performance of batteries and hydrogen fuel cells while reducing energy loss.
KAISTannounced on the 1st of June that a research team led by Professor Seung Jun Hwang of the Department of Chemistry, through joint research with Professor Jaeyune Ryu’s team from the Department of Chemical and Biological Engineering at Seoul National University , has proposed a new catalyst design strategy that can improve the efficiency of key reactions that generate electricity inside batteries and fuel cells.
A catalyst is a material that helps chemical reactions occur faster and more efficiently. In batteries or fuel cells, it plays a role in facilitating the reactions that generate electricity. Catalysts usually consist of a central metal and a molecular structure surrounding it.
In previous studies, methods mainly involved changing the type of metal from iron (Fe) to cobalt (Co) or nickel (Ni), or newly designing the molecular structure around the metal, known as the ligand, to improve reaction performance. In simple terms, this approach changes the material or shape of the catalyst itself to make it react better. By contrast, this study is differentiated by showing that performance can be improved simply by adjusting the electrical environment around the catalyst, without greatly changing the catalyst itself.
<(AI Image) Visualization of Enhanced Fe Porphyrin Catalyst Reactivity Induced by the Electric Field of Metal Cations>
To use a simple analogy, this study can be compared to “making cooking work better by adjusting the kitchen environment instead of changing the cooking tool itself.” Previous catalyst research was closer to changing the material of a frying pan or redesigning its shape. By contrast, this study keeps the frying pan the same and precisely adjusts the surrounding temperature and airflow so that the food cooks better. In other words, the core of this research is that the team made the reaction occur more efficiently by adjusting the electrical environment around the catalyst, rather than creating an entirely new catalyst.
The research team confirmed that placing “cations (+)” around the catalyst to create a very small electric field can induce the reaction needed to generate electricity to occur more stably. In particular, the proportion of the desired reaction increased from the previous level of about 12% to as high as 52%.
Through this, the research team confirmed that the desired reaction can be efficiently induced with less energy than before. This is expected to contribute to improving the efficiency, lifespan, and stability of batteries and hydrogen fuel cells.
The oxygen reduction reaction (ORR, a key reaction in which oxygen receives electrons to generate electricity) examined in this study is a core reaction that generates electricity in next-generation energy devices such as fuel cells for hydrogen vehicles (Fuel Cell, a device that produces electricity through a chemical reaction between hydrogen and oxygen) and metal-air batteries (Metal-Air Battery, a next-generation battery that stores and produces electricity using metal and oxygen in the air).
The research team also believes that this principle can be applied to catalyst technologies that convert carbon dioxide (CO₂) or hydrogen into other useful substances, and that it can therefore be used in the development of various next-generation energy catalysts, including carbon dioxide reduction technologies and eco-friendly hydrogen production technologies.
<Schematic Illustration of Cation-Mediated Regulation of ORR Catalyst Activity>
<(AI Image) Schematic Illustration of Cation-Mediated Regulation of ORR Catalyst Activity>
Professor Seung Jun Hwang stated, “This study demonstrates that reaction properties can be precisely controlled solely through the surrounding electrical environment, without changing the structure of the catalyst itself,” adding, “We expect it to present a new direction for developing next-generation batteries, fuel cells, and eco-friendly energy catalyst technologies.”
This research, with POSTECH chemistry doctoral students Hwi Yul Jo and Vom Kang and KAIST postdoctoral researcher Dongyoung Kim as co-first authors, was published online on April 12 in the Journal of the American Chemical Society (JACS).
※ Paper title: “Localized Cation Unlocks Unique Activity–Selectivity Trends in Molecular Oxygen Reduction Catalysis,” DOI: pubs.acs.org/doi/10.1021/jacs.5c18246
Lead author information: Hwi Yul Jo (doctoral student, POSTECH), Vom Kang (integrated master’s–PhD student, POSTECH), Dongyoung Kim (postdoctoral researcher, KAIST)
This research was supported by the Samsung Science and Technology Foundation, the National Research Foundation of Korea’s “Hanwoomul” Basic Research Program, and the Nano and Material Technology Development Program.
2026.06.01 View 411 -
AI that Understands Chemical Principles... Accelerating the Development of New Drugs and Materials
<(From top left) Professor Woo Youn Kim (KAIST), Dr. Jeheon Woo (KISTI), Dr. Seonghwan Kim (KAIST), and Jun Hyeong Kim (PhD candidate)>
Whether a smartphone battery lasts longer or a new drug can be developed to treat incurable diseases depends on how stably the atoms constituting the material are bonded. The core of 'molecular design' lies in finding how to arrange these countless atoms to form the most stable molecule. Until now, this process has been as difficult as finding the lowest valley in a massive mountain range, requiring immense time and costs. Researchers at KAIST have developed a new technology that uses artificial intelligence to solve this process quickly and accurately.
KAIST announced on February 10th that Professor Woo Youn Kim's research team in the Department of Chemistry has developed 'Riemannian DenoisingModel (R-DM),' an artificial intelligence model that understands the physical laws governing molecular stability to predict structures.
The most significant feature of this model is that it directly considers the 'energy' of the molecule. While existing AI models simply mimicked the shape of molecules, R-DM refines the structure by considering the forces acting within the molecule. The research team represented the molecular structure as a map where higher energy is depicted as hills and lower energy as valleys, designing the AI to move toward and find the valleys with the lowest energy.
R-DM completes the molecule by navigating this energy landscape, avoiding unstable structures to find the most stable state. This applies the mathematical theory of 'Riemannian geometry,' resulting in the AI learning the fundamental law of chemistry: 'matter prefers the state with the lowest energy.'
Experimental results showed that R-DM achieved up to 20 times higher accuracy than existing AI models, reducing prediction errors to a level nearly indistinguishable from precise quantum mechanical calculations. This represents the world's highest level of performance among AI-based molecular structure prediction technologies.
<Comparison of energy landscapes in Euclidean space and Riemannian space>
This technology can be utilized in various fields, including new drug development, next-generation battery materials, and high-performance catalyst design. It is expected to serve as an 'AI simulator' that will dramatically speed up research and development by significantly shortening the molecular design process, which previously took a long time. Furthermore, it has great potential in environmental and safety fields, as it can quickly predict chemical reaction paths in situations where experiments are difficult, such as chemical accidents or the spread of hazardous substances.
Professor Woo Youn Kim stated, "This is the first case where artificial intelligence has understood the basic principles of chemistry and judged molecular stability on its own. It is a technology that can fundamentally change the way new materials are developed."
<Image of Riemannian Diffusion Model application (AI-generated image)>
This study was led by Dr. Jeheon Woo from the KISTI Supercomputing Center and Dr. Seonghwan Kim from the KAIST Innovative Drug Discovery Research Group as co-first authors. The research results were published on January 2nd in the world-renowned academic journal Nature Computational Science.
※ Paper Title: Riemannian Denoising Model for Molecular Structure Optimization with Chemical Accuracy, DOI: 10.1038/s43588-025-00919-1
Meanwhile, this research was conducted with the support of the Chemical Accident Prediction-Prevention Advanced Technology Development Project of the Korea Environmental Industry & Technology Institute, the Science and Technology Institute InnoCore Project of the Ministry of Science and ICT, and the Data Science Convergence Talent Cultivation Project conducted by the National Research Foundation of Korea with support from the Ministry of Science and ICT.
2026.02.10 View 2609 -
KAIST Suppresses Side Effects of mRNA Therapeutics, Broadly Applicable Platform for Safer, Personalized Treatments
<(From Left) Professor Yong Woong Jun, Ph.D candidate Tae Ung Jeong, Ph.D candidate Jihun Choi>
mRNA, widely known from the COVID-19 vaccine, is not actually a “therapeutic agent,” but a technology that delivers the blueprint for functional proteins into the body so that induces therapeutic effects. Recently, its application has expanded to cancer and genetic disease treatments, but mRNA therapeutics have caused serious side effects such as pulmonary embolism, stroke, thrombosis, and autoimmune diseases because proteins are excessively produced all at once immediately after administration. Although technology to control the endogenous protein factory has been continuously needed, there had been no suitable solution.
KAIST (President Kwang Hyung Lee) announced on the 1st of December that Professor Yong Woong Jun’s research team in the Department of Chemistry has proposed a new strategy that can control the initiation timing and rate at which mRNA produces proteins. By using this method, the rate of protein production can be adjusted/personalized according to a patient’s condition, enabling safer treatment.
This technology is expected to serve as an important turning point in next-generation mRNA therapeutics, not only fundamentally reducing side effects of mRNA treatments but also enabling application to treatment areas requiring precise protein regulation such as stroke, cancer, and immune diseases.
For a protein to be produced, the cell’s “protein production machinery (ribosomes and initiation factors)” must attach to the mRNA blueprint and begin working. The research team focused on the fact that delaying this process even slightly can prevent the sudden surge of protein production.
Therefore, instead of using complex technologies, they developed a simple method in which intentionally slightly damaged DNA fragments are attached to mRNA. These DNA fragments act like a small “shield,” preventing the protein production machinery from immediately attaching to the mRNA and thereby gently slowing the initiation speed of protein production.
The damaged DNA used here is a safe biological material naturally recycled in the body and is very inexpensive. Because it only needs to be mixed with mRNA right before injection, it is suitable for real-world medical use.
As time passes, the body’s natural “repair enzymes” partially degrade the damaged DNA, and during this process, the structure attached to the mRNA is released, smoothly transitioning the protein production speed back to normal mode. As a result, the previous risk of proteins being explosively produced all at once is greatly reduced.
The research team confirmed that by adjusting the length and degree of damage of the DNA, they could precisely design when and how slowly protein production would begin. They also found that even when multiple types of mRNA are administered at once, the proteins can be produced sequentially in the desired order, meaning this method could innovate existing approaches that required multiple separate injections for complex treatments.
This technology was selected by KAIST as one of its “Future Promising Core Technologies” and was also introduced at the “2025 KAIST Techfair Technology Transfer Session.”
<A translation-control strategy based on DNA–mRNA hybrids. The damaged base (in red) is removed by a repair enzyme, after which the DNA and mRNA dissociate, allowing translation factors and ribosomes to bind and initiate protein translation>
Professor Yong Woong Jun said, “Biological phenomena are ultimately chemistry, so we were able to precisely control the protein production process through a chemical approach,” and added that “this technology not only enhances the safety of mRNA therapeutics but also provides a foundation for expanding into precision treatments tailored to various diseases such as cancer and genetic disorders.”
The results of this research, with Jihun Choi (KAIST, 3rd-year PhD student) and Tae Ung Jeong (KAIST, 1st-year PhD student) participating as co–first authors, were published on November 6 in Angewandte Chemie International Edition, one of the most prestigious journals in the field of chemistry.
※ Paper title: “Harnessing Deaminated DNA to Modulate mRNA Translation for Controlled and Sequential Protein Expression,” Authors: Jihun Choi (KAIST, co–first author), Tae Ung Jeong (KAIST, co–first author), and Yong Woong Jun (KAIST, corresponding author), among a total of 10 authors, DOI: 10.1002/anie.202516389
This study was supported by the National Research Foundation of Korea (NRF) through the Excellent Young Researcher Program.
2025.12.02 View 2491 -
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.
2025.11.11 View 1818 -
Battery Tackling Fire Hazard, Volume, and Weight Simultaneously
<(From Left) Professor Hye Ryung Byon, Ph.D candidate Rak Hyeon Choi, Professor Chang Yun Son>
Lithium-metal batteries are garnering attention as the next-generation high-energy battery set to replace existing lithium-ion batteries. However, commercialization has been difficult due to the high fire risk associated with using flammable liquid electrolytes. As an alternative to solve this, 'organic solid electrolytes' with flexibility were proposed, but their slow lithium-ion transfer rate at room temperature limited their practical application. Korean researchers have succeeded in developing a solid electrolyte that enhances lithium-ion mobility by 100 times and operates at room temperature.
KAIST announced on November 4th that a research team led by Professor Hye Ryung Byon from KAIST Department of Chemistry, in collaboration with Professor Chang Yun Son's team from Seoul National University, has developed a new organic solid electrolyte film that operates stably even at room temperature.
The research team fabricated a solid electrolyte about 1/5 the thickness of a human hair using a new material called 'Covalent Organic Framework (COF)', which has a porous structure with uniformly arranged holes.
The developed COF electrolyte features a porous crystalline structure similar to the Metal Organic Framework (MOF), which won the 2025 Nobel Prize in Chemistry, but with significantly enhanced chemical stability in the battery operating environment.
The team meticulously arranged lithium-ion transporting functional groups at regular intervals, designing the structure so that lithium ions, which previously only moved at high temperatures, could rapidly move along these functional groups even at room temperature. This implemented a solid electrolyte structure where the lithium-ion migration path can be precisely controlled at the molecular level.
Specifically, the research team introduced a 'dual sulfonated functional group' into the nanopores to facilitate the easy detachment (dissociation) and movement of lithium ions, creating a channel that allows lithium ions to move rapidly along the shortest linear path. Molecular Dynamics (MD) simulations confirmed that this structure lowers the energy required for lithium ion movement, enabling fast migration with less energy and stable operation even at room temperature.
The fabricated electrolyte film is made via a 'Self-assembly' method, resulting in a very smooth surface and uniform structure. Consequently, it adheres perfectly to the lithium metal electrode, allowing ions to move more stably when traveling between electrodes.
<Figure 1. Synthesis process and structural/electrochemical properties of ultrathin covalent organic framework (COF) films according to thickness.(a) Synthesis process of ultrathin COF solid electrolyte, (b) Changes in thickness and surface roughness of COF films according to monomer concentration,(c) Changes in crystallinity of COF solid electrolytes with variations in morphology and thickness, (d) Ionic conductivity characteristics of COF solid electrolytes depending on morphology and thickness,(e) Rate capability of lithium metal–lithium iron phosphate (LiFePO₄) batteries, (f) Cycle life characteristics of lithium metal–lithium iron phosphate batteries >
As a result, the developed electrolyte showed a lithium-ion migration speed 10 to 100 times faster than conventional organic solid electrolytes. When applied to a lithium-iron phosphate battery based on lithium metal, it maintained over 95% of its initial capacity even after 300 charge/discharge cycles, demonstrating high stability with almost no energy loss (Coulombic efficiency of 99.999%).
<Figure 2. Molecular dynamics simulation analysis of the lithium-ion conduction mechanism in the COF solid electrolyte. (a) Lithium-ion (turquoise spheres) conduction pathways through two distinct ionic conduction subchannels within the COF, (b) Two-dimensional free energy landscape of each migration pathway obtained from metadynamics simulations >
Professor Hye Ryung Byon stated, "This research represents a step forward in the commercialization of lithium-metal batteries by realizing an organic solid electrolyte capable of fast lithium-ion migration even at room temperature," adding, "Combining it in a hybrid form with inorganic solid electrolytes could improve interfacial stability issues."
The first author of this research is Rak Hyeon Choi, a graduate student in the KAIST Chemistry Department, and the results were published in the international journal Advanced Energy Materials (October 5, 2025 issue).
Paper Title: Room-Temperature Single Li⁺ Ion Conducting Organic Solid-State Electrolyte with 10⁻⁴ S cm⁻¹ Conductivity for Lithium Metal Batteries, DOI: 10.1002/aenm.202504143
This achievement was supported by LG Energy Solution and KAIST's Frontier Research Laboratory (FRL), as well as the National Research Fou
2025.11.05 View 1988 -
KAIST Develops AI That Automatically Designs Optimal Drug Candidates for Cancer-Targeting Mutations
< (From left) Ph.D candidate Wonho Zhung, Ph.D cadidate Joongwon Lee , Prof. Woo Young Kim , Ph.D candidate Jisu Seo >
Traditional drug development methods involve identifying a target protin (e.g., a cancer cell receptor) that causes disease, and then searching through countless molecular candidates (potential drugs) that could bind to that protein and block its function. This process is costly, time-consuming, and has a low success rate. KAIST researchers have developed an AI model that, using only information about the target protein, can design optimal drug candidates without any prior molecular data—opening up new possibilities for drug discovery.
KAIST (President Kwang Hyung Lee) announced on the 10th that a research team led by Professor Woo Youn Kim in the Department of Chemistry has developed an AI model named BInD (Bond and Interaction-generating Diffusion model), which can design and optimize drug candidate molecules tailored to a protein’s structure alone—without needing prior information about binding molecules. The model also predicts the binding mechanism (non-covalent interactions) between the drug and the target protein.
The core innovation of this technology lies in its “simultaneous design” approach. Previous AI models either focused on generating molecules or separately evaluating whether the generated molecule could bind to the target protein. In contrast, this new model considers the binding mechanism between the molecule and the protein during the generation process, enabling comprehensive design in one step. Since it pre-accounts for critical factors in protein-ligand binding, it has a much higher likelihood of generating effective and stable molecules. The generation process visually demonstrates how types and positions of atoms, covalent bonds, and interactions are created simultaneously to fit the protein’s binding site.
<Figure 1. Schematic of the diffusion model developed by the research team, which generates molecular structures and non-covalent interactions based on protein structures. Starting from a noise distribution, the model gradually removes noise (via reverse diffusion) to restore the atom positions, types, covalent bond types, and interaction types, thereby generating molecules. Interacting patterns are extracted from prior knowledge of known binding molecules or proteins, and through an inpainting technique, these patterns are kept fixed during the reverse diffusion process to guide the molecular generation.>
Moreover, this model is designed to meet multiple essential drug design criteria simultaneously—such as target binding affinity, drug-like properties, and structural stability. Traditional models often optimized for only one or two goals at the expense of others, but this new model balances various objectives, significantly enhancing its practical applicability.
The research team explained that the AI operates based on a “diffusion model”—a generative approach where a structure becomes increasingly refined from a random state. This is the same type of model used in AlphaFold 3, the 2024 Nobel Chemistry Prize-winning tool for protein-ligand structure generation, which has already demonstrated high efficiency.
Unlike AlphaFold 3, which provides spatial coordinates for atom positions, this study introduced a knowledge-based guide grounded in actual chemical laws—such as bond lengths and protein-ligand distances—enabling more chemically realistic structure generation.
<Figure 2. (Left) Target protein and the original bound molecule; (Right) Examples of molecules designed using the model developed in this study. The values for protein binding affinity (Vina), drug-likeness (QED), and synthetic accessibility (SA) are shown at the bottom.>
Additionally, the team applied an optimization strategy where outstanding binding patterns from prior results are reused. This allowed the model to generate even better drug candidates without additional training. Notably, the AI successfully produced molecules that selectively bind to the mutated residues of EGFR, a cancer-related target protein.
This study is also meaningful because it advances beyond the team’s previous research, which required prior input about the molecular conditions for the interaction pattern of protein binding.
Professor Woo Youn Kim commented that “the newly developed AI can learn and understand the key features required for strong binding to a target protein, and design optimal drug candidate molecules—even without any prior input. This could significantly shift the paradigm of drug development.” He added, “Since this technology generates molecular structures based on principles of chemical interactions, it is expected to enable faster and more reliable drug development.”
Joongwon Lee and Wonho Zhung, PhD students in the Department of Chemistry, participated as co-first authors of this study. The research results were published in the international journal Advanced Science (IF = 14.1) on July 11.
● Paper Title: BInD: Bond and Interaction-Generating Diffusion Model for Multi-Objective Structure-Based Drug Design
● DOI: 10.1002/advs.202502702
This research was supported by the National Research Foundation of Korea and the Ministry of Health and Welfare.
2025.08.12 View 6222 -
Anti-Neuroinflammatory Natural Products from Isopod-Related Fungus Now Accessible via Chemical Synthesis
<(From left) Professor Sunkyu Han, Ph.D candidate Yoojin Lee, Ph.D candidate Taewan Kim>
"Herpotrichone" is a natural substance that has been evaluated highly for its excellent ability to suppress inflammation in the brain and protect nerve cells, displaying significant potential to be developed as a therapeutic agent for neurodegenerative brain diseases such as Alzheimer's disease and Parkinson's disease. This substance could only be obtained in minute quantities from fungi that are symbiotic with isopods. However, KAIST researchers have succeeded in chemically synthesizing this rare natural product, thereby presenting the possibility for the development of next-generation drugs for neurodegenerative diseases.
*Chemical Synthesis: A process of creating desired substances using chemical reactions.
KAIST (President Kwang Hyung Lee) announced on the 31st of July that a research team led by Professor Sunkyu Han of the Department of Chemistry successfully synthesized the natural anti-neuroinflammatory substances 'herpotrichones A, B, and C' for the first time.
Herpotrichone natural products are substances obtainable only in minute quantities from 'Herpotrichia sp. SF09', a symbiotic pill bug fungus, and possess a unique 6/6/6/6/3 pentacyclic framework consisting of five fused rings (four six-membered and one three-membered ring).
Interestingly, this substance exhibits excellent anti-neuroinflammatory effects that suppress brain inflammatory reactions. Recently, its mechanism of action to protect nerve cells by inhibiting ferroptosis (iron-mediated cell death) was also reported, raising expectations for its potential as a therapeutic drug for brain diseases.
Professor Han's research team devised a biosynthetically inspired strategy to chemically synthesize herpotrichoneS. The key to success was a named chemical reaction "Diels-Alder (DA) reaction". This reaction forms a six-membered ring by creating new bonds between carbon-based partners, much like two puzzle pieces interlocking to form a single ring.
<Figure 2. Key Synthetic Strategy for Hypotricon A, B, and C Based on Hydrogen Bonding>
Furthermore, the research team focused on a weak attractive phenomenon between molecules called "hydrogen bonding". By delicately designing and controlling this hydrogen bond, they were able to precisely induce the reaction to occur chemo-, regio- and stereoselectively, thereby synthesizing herpotrichone. Notably, without the pivotal hydrogen bond, only a small amount of the target natural product was formed or only undesirable byproducts were generated.
The configuration of the C2’ hydroxyl moiety was essential in directing the desired transition states leading to the target natural products.
Thanks to this induced hydrogen bonding, the reacting molecules approached the correct positions and went through an ideal transition state, allowing for the synthesis of herpotrichone C. This reaction principle was also successfully applied to herpotrichone A and B, enabling the successful synthesis of these natural products.
During the key Diels-Alder reaction conducted in the laboratory, new molecular structures not yet discovered in nature were also formed. Some of these have a high probability of being novel natural products with excellent pharmacological activity, thus doubling the significance of this research for anticipating natural products through synthesis.
Indeed, while Professor Han's research team conducted synthetic studies on herpotrichone A and B based on a 2019 paper by Chinese researchers who discovered and elucidated their structures, the research team observed the formation of undesired byproducts.
Interestingly, in 2024, the same Chinese research team that discovered herpotrichones A and bn reported the discovery of a new natural product called herpotrichone C, which turned out to be the same substance as the major byproduct previously obtained by Professor Han's team en route to herpotrichones A and B.
Professor Han stated, "This is the first total synthesis of a rare natural product with pharmacological activity related to neurodegenerative diseases and systematically presents the principle of biomimetic synthesis of complex natural products." He added, "It is expected to contribute to the development of novel natural product-based anti-neuroinflammatory therapeutics and biosynthesis research of this group of natural products."
This research outcome, with Yoojin Lee, a master's and Ph.D. integrated course student in the Department of Chemistry, as the first author, was published on July 16th in the Journal of the American Chemical Society (JACS), one of the most prestigious academic journals in the field of chemistry.
This research was supported by the National Research Foundation of Korea (NRF) Mid-career Researcher Support Program, the KAIST UP Project, the KAIST Grand Challenge 30 Project, and the KAIST Trans-Generational Collaborative Research Laboratory Project.
2025.08.04 View 3664 -
KAIST Designs a New Atomic Catalyst for Air Pollution Reduction
<(From Left)Professor Jong Hun Kim from Inha University, Dr. Gyuho Han and Professor Jeong Young Park from KAIST>
Platinum diselenide (PtSe2) is a two-dimensional multilayer material in which each layer is composed of platinum (Pt) and selenium (Se). It is known that its excellent crystallinity and precise control of interlayer interactions allow modulation of various physical and chemical properties. Due to these characteristics, it has been actively researched in multiple fields, including semiconductors, photodetectors, and electrochemical devices. Now, a research team has proposed a new design concept in which atomically dispersed platinum on the surface of platinum diselenide can function as a catalyst for gas reactions. Through this, they have proven its potential as a next-generation gas-phase catalyst technology for high-efficiency carbon dioxide conversion and carbon monoxide reduction.
KAIST (President Kwang Hyung Lee) announced on July 22 that a joint research team led by Endowed Chair Professor Jeong Young Park from the Department of Chemistry, along with Professor Hyun You Kim's team from Chungnam National University and Professor Yeonwoong (Eric) Jung's team from the University of Central Florida (UCF), has achieved excellent carbon monoxide oxidation performance by utilizing platinum atoms exposed on the surface of platinum diselenide, a type of two-dimensional transition metal dichalcogenide (TMD).
To maximize catalytic performance, the research team designed the catalyst by dispersing platinum atoms uniformly across the surface, departing from the conventional use of bulk platinum. This strategy allows more efficient catalytic reactions using a smaller amount of platinum. It also enhances electronic interactions between platinum and selenium by tuning the surface electronic structure. As a result, the platinum diselenide film with a thickness of a few nanometers showed superior carbon monoxide oxidation performance across the entire temperature range compared to a conventional platinum thin film under identical conditions.
In particular, carbon monoxide and oxygen were evenly adsorbed on the surface in similar proportions, increasing the likelihood that they would encounter each other and react, which significantly enhanced the catalytic activity. This improvement is primarily attributed to the increased exposure of surface platinum atoms resulting from selenium vacancies (Se-vacancies), which provide adsorption sites for gas molecules.
The research team confirmed in real-time that these platinum atoms served as active adsorption sites during the actual reaction process, using ambient-pressure X-ray photoelectron spectroscopy (AP-XPS) conducted at the Pohang Accelerator Laboratory. This high-precision analysis was enabled by advanced instrumentation capable of observing surfaces at the nanometer scale under ambient pressure conditions. At the same time, computer simulations based on density functional theory (DFT) demonstrated that platinum diselenide exhibits distinct electronic behavior compared to conventional platinum.
*Density Functional Theory (DFT): A quantum mechanical method for calculating the total energy of a system based on electron density.
Professor Jeong Young Park stated, “This research presents a new design strategy that utilizes platinum diselenide, a two-dimensional layered material distinct from conventional platinum catalysts, to enable catalytic functions optimized for gas-phase reactions.” He added, “The electronic interaction between platinum and selenium created favorable conditions for the balanced adsorption of carbon monoxide and oxygen. By designing the catalyst to exhibit higher reactivity across the entire temperature range than conventional platinum, we improved its practical applicability. This enabled a high-efficiency catalytic reaction mechanism through atomic-level design, a two-dimensional material platform, and precise adsorption control.”
This research was co-authored by Dr. Gyuho Han from the Department of Chemistry at KAIST, Dr. Hyuk Choi from the Department of Materials Science and Engineering at Chungnam National University, and Professor Jong Hun Kim from Inha University. The study was published on July 3 in the world-renowned journal Nature Communications.
Paper Title: Enhanced catalytic activity on atomically dispersed PtSe2 two-dimensional layers
DOI: 10.1038/s41467-025-61320-0
This research was supported by the Mid-Career Researcher Program of the Ministry of Science and ICT, the Core Research Institute Program of the Ministry of Education, the National Strategic Technology Materials Development Project, the U.S. National Science Foundation (NSF) CAREER Program, research funding from Inha University, and the Postdoctoral Researcher Program (P3) at UCF. Accelerator-based analysis was conducted in cooperation with the Pohang Accelerator Laboratory and the Korea Basic Science Institute (KBSI).
2025.07.22 View 4133 -
Distinguished Professor Sukbok Chang Donates His Prize Money
The honoree of the 2019 Korea Best Scientist and Technologist Award, Distinguished Professor Sukbok Chang donated his prize money of one hundred million KRW to the Chemistry Department Scholarship Fund and the Lyu Keun-Chul Sports Complex Management Fund during a donation ceremony last week.
Professor Chang won the award last month in recognition of his pioneering achievements and lifetime contributions to the development of carbon-hydrogen activation strategies, especially for carbon-carbon, carbon-nitrogen, and carbon-oxygen formations. Professor Chang, a world renowned chemist, has been recognized for his highly selective catalytic systems, allowing the controlled defunctionalization of bio-derived platform substrates under mild conditions and opening a new avenue for the utilization of biomass-derived platform chemicals.
“All my achievements are the results of my students’ hard work and dedication. I feel very fortunate to have such talented team members. I want to express my sincere gratitude for such a great research environment that we have worked together in so far,” said Professor Chang at the ceremony.
KAIST President Sung-Chul Shin said, “Not only will Professor Chang’s donation make a significant contribution to the Department of Chemistry, but also to the improvement of the Lyu Keun-Chul Sports Complex’s management, which directly links to the health and welfare of the KAIST community.”
Professor Chang currently holds the position of distinguished professor at KAIST and director of the Center for Catalytic Hydrocarbon Functionalizations in the Institute for Basic Science (IBS). He previously received the Kyung-Ahm Academic Award in 2013 and the Korea Toray Science Award in 2018. All these prize money also went to the school.
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2019.08.26 View 13420 -
New Catalyst for Synthesizing Chiral Molecules Selectively
(from left: Dr. Yoonsu Park and Professor Sukbok Chang from the Department of Chemistry)
Molecules in nature often have “twin” molecules that look identical. In particular, the twin molecules that look like mirror images to each other are called enantiomers. However, even though they have the same type and number of elements, these twin molecules exhibit completely different properties.
Professor Sukbok Chang and Dr. Yoonsu Park from the Department of Chemistry developed a new catalyst capable of selectively synthesizing only one of the two enantiomers. Using this catalyst, the have succeeded in manufacturing the chiral lactam, an essential ingredient in pharmaceuticals, from a hydrocarbon compound.
Enantiomerism or chirality is considered very important for drug development. Biomaterials, such as DNAs and proteins also have chiral properties, but they exhibit different physiological activities depending on the types of drugs. One type of the enantiomer could be useful while the other is toxic. Hence, the technology for selective synthesizing (i.e. asymmetric synthesis) is required, but it is still regarded as a great challenge faced by modern chemistry to date.
The researchers solved this problem by developing a new catalyst. Earlier they presented their research on developing an iridium catalyst that converts hydrocarbons into high value γ-lactam compounds, and published it in Science in March 2018. However, the developed catalyst still had a limitation that both types of enantiomers are obtained without selectivity.
In this study, they found that among dozens of other catalyst candidates, iridium catalysts with chiral diamine scaffolds were able to select the correct enantiomer with a selectivity of 99% or more. This novel catalyst can be used to synthesize the various chiral γ-lactam as required. A left-handed γ-lactam and a right-handed γ-lactam can be produced using a left-handed iridium catalyst and a right-handed iridium catalyst, respectively.
They analyzed the reason for the high selectivity through computational chemistry simulations. They identified that temporal hydrogen bonding occurred between the chiral diamine catalysts and the hydrocarbon compound during the reaction. As a result of the hydrogen bonding, the formation of the left-handed lactam was boosted.
With their new catalyst, they also succeeded in synthesizing chiral lactam compounds with different structures. By using inexpensive and readily available feedstock hydrocarbons, the researchers produced a group of chiral lactams in different shapes. As their chirality and diverse structures enable lactams to function as an active compound in the body for antibiotic, anti-inflammatory, or anti-tumoral functions, this study may facilitate the development of potential drugs in a more efficient and cheaper way.
Professor Chang said, “We hope that our research on selectively producing core units of effective drugs will lead to developing new drugs that demonstrate fewer side-effects and higher efficacy. There are also economic advantages of this research because it uses hydrocarbon compounds, which can be abundantly found in nature, to produce high-value raw materials.
This research was published in Nature Catalysis(10.1038/s41929-019-0230-x) on February 19, 2019.
Figure 1. Asymmetric formation of chiral γ-lactam
Figure 2. Outline of research outcome
2019.03.05 View 9923