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Professor Jin Woo Kim Wins the 14th Macrogen Scientist Award
Professor Jin Woo Kim of the Department of Biological Sciences at KAIST received the 14th Macrogen Scientist Award at the 2017 KSMCB International Conference held in COEX on September 12, 2017. The award is given by the Korean Society for Molecular and Cellular Biology (KSMCB) and sponsored by Macrogen, a service provider of genome research. The award was established in 2004 to recognize biological scientists who have accomplished excellent performance in the field of basic life sciences. Professor Kim has achieved outstanding research performances on nerve development, such as identifying the cause of senile retinal degenerative disease and finding retinal nerve cells that distinguish light and darkness in dark conditions. Recently, he discovered intercellular communication, which controls the development of retinal neurons. His findings have contributed to addressing the principles of maintenance and regeneration of retinal neurons. Since joining KAIST, he has presented approximately 20 papers and published in numerous international journals including Cell Reports, Genes and Development, and EMBO Journal. Moreover, he delivered special lectures at international conferences, universities, and institutes around the world.
2017.09.14
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Humicotta Wins the Silver Prize at the 2017 IDEA
The 3D-printed ceramic humidifier made by the research team led by Professor Sang-Min Bae won the silver prize at the 2017 International Design Excellence Awards (IDEA). Professor Bae’s ID+IM team was also listed as winners of three more appropriate technology designs at the IDEA. The awards, sponsored by the Industrial Designers Society of America, are one of the three prestigious design awards including the Red Dot Design Award and the iF Design Award in Germany. The silver prize winner in the category of home and bath, Humicotta is an energy-efficient, bacteria free, and easy to clean humidifier. It includes a base module and filter. The base is a cylindrical pedestal with a built-in fan on which the filter is placed. The filter is a 3D-printed honeycomb structure made of diatomite. When water is added, the honeycomb structure and porous terracotta maximize natural humidification. It also offers an open platform service that customizes the filters or provides files that users can use their own 3D printer. Professor Bae’s team has worked on philanthropy design using appropriate technology as their main topic for years. Their designs have been recognized at prestigious global design awards events, winning more than 50 prizes with innovative designs made for addressing various global and social problems. The Light Funnel is a novel type of lighting device designed for off-grid areas of Africa. It helps to maximize the natural light effect in the daytime without any drastic home renovations. It consists of a transparent acrylic sphere and a reflective pathway. After filling the acrylic sphere with water and placing it on a rooftop, sunlight passes into the house through the water inside the sphere. It provides a lighted environment nine times brighter than without it. Also, once installed, it can be used almost permanently. The Maasai Smart Cane is made using wood sticks purchased through fair trade with the Maasai tribe. GPS is installed into the grip of the birch-tree cane, so that cane users can send a signal when in an emergency situation. All of the proceeds of this product go to the tribe. S.Cone is a first aid kit made in collaboration with Samsung Fire and Marine Insurance. The traffic cone-shaped kit is designed to help users handle an emergency situation intact and safe. The S.Cone has unique versions for fires, car accidents, and marine accidents. For example, the S.Cone for fires is equipped with a small fire extinguisher, smoke mask, and fire blanket. The cap of the S.Cone also functions as an IoT station connecting the fire and gas detector with smart phones. Professor Bae said of his team’s winning design products, “By making the data public, any person can design their own humidifier if they have access to a 3D-printer. We want it to be a very accessible product for the public. The Light Funnel and Maasai Smart Cane are designed for economically-marginalized populations and the elderly. We will continue to make the best designed products serving the marginalized 90% of the population around the world.”
2017.09.14
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A Novel and Practical Fab-route for Superomniphobic Liquid-free Surfaces
(clockwise from left: Jaeho Choi, Hee Tak Kim, Shin-Hyun Kim) A joint research team led by Professor Hee Tak Kim and Shin-Hyun Kim in the Department of Chemical and Biomolecular Engineering at KAIST developed a fabrication technology that can inexpensively produce surfaces capable of repelling liquids, including water and oil. The team used the photofluidization of azobenzene molecule-containing polymers to generate a superomniphobic surface which can be applied for developing stain-free fabrics, non-biofouling medical tubing, and corrosion-free surfaces. Mushroom-shaped surface textures, also called doubly re-entrant structures, are known to be the most effective surface structure that enhances resistance against liquid invasion, thereby exhibiting superior superomniphobic property. However, the existing procedures for their fabrication are highly delicate, time-consuming, and costly. Moreover, the materials required for the fabrication are restricted to an inflexible and expensive silicon wafer, which limits the practical use of the surface. To overcome such limitations, the research team used a different approach to fabricate the re-entrant structures called localized photofludization by using the peculiar optical phenomenon of azobenzene molecule-containing polymers (referred to as azopolymers). It is a phenomenon where an azopolymer becomes fluidized under irradiation, and the fluidization takes place locally within the thin surface layer of the azopolymer. With this novel approach, the team facilitated the localized photofluidization in the top surface layer of azopolymer cylindrical posts, successfully reconfiguring the cylindrical posts to doubly re-entrant geometry while the fluidized thin top surface of an azopolymer is flowing down. The structure developed by the team exhibits a superior superomniphobic property even for liquids infiltrating the surface immediately. Moreover, the superomniphobic property can be maintained on a curved target surface because its surficial materials are based on high molecules. Furthermore, the fabrication procedure of the structure is highly reproducible and scalable, providing a practical route to creating robust omniphobic surfaces. Professor Hee Tak Kim said, “Not only does the novel photo-fluidization technology in this study produce superior superomniphobic surfaces, but it also possesses many practical advantages in terms of fab-procedures and material flexibility; therefore, it could greatly contribute to real uses in diverse applications.” Professor Shin-Hyun Kim added, “The designed doubly re-entrant geometry in this study was inspired by the skin structure of springtails, insects dwelling in soil that breathe through their skin. As I carried out this research, I once again realized that humans can learn from nature to create new engineering designs.” The paper (Jaeho Choi as a first author) was published in ACS Nano, an international journal for Nano-technology, in August. (Schematic diagram of mushroom-shaped structure fabrication) (SEM image of mushroom-shaped structure) (Image of superomniphobic property of different types of liquid)
2017.09.08
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Research Center for Smart Submerged Floating Tunnel Systems Opens
(Distinguished guests including President Shin (fourth from the right) and Director Lee (third from left) at the opening ceremony) The Research Center for a Smart Submerged Floating Tunnel Systems was recently established at KAIST with the purpose of taking the lead in developing fundamental and applicable technology for submerged floating tunnels as well as fostering creative and talented people. Haeng-Ki Lee, a professor in the Department of Civil & Environmental Engineering at KAIST is heading the center. KAIST held its opening ceremony on September 7, 2017 in the Applied Engineering Building located on the main campus. Distinguished guests, including KAIST president Sung-Chul Shin, the President of the Korea Institute of Ocean Science and Technology Gi-Hoon Hong, the President of the Korean Society of Civil Engineering Young-Seok Park, and the Director in the Division of Engineering at the National Research Foundation of Korea Joong-Kon Park attended the ceremony. The National Research Foundation of Korea provides Engineering Research Center (ERC) projects which find and foster groups with outstanding research performance in a field of engineering. The projects support these groups so that they can strengthen their global competitiveness while enhancing national competence in basic research. The ‘Research Center for Smart Submerged Floating Tunnel Systems’ was selected as one of the ERC projects in 2017. For the next seven years, the research center will work to develop a submerged floating tunnel system resistant depths greater than 100 meters. To achieve its goal, the center has defined crucial research topics including: i) a structural analysis program and integrated design technology specific for submerged floating tunnel systems, ii) high-durability marine construction materials and submerged construction integrated systems, and iii) safety and maintenance integrated technology for smart submerged floating tunnel systems. The ‘Research Center for Smart Submerged Floating Tunnel Systems’ will devote itself to developing a variety of fundamental and applicable technology that will be leading global maritime construction. Moreover, it will concentrate on fostering professional research manpower in related areas. The Director of the Center Lee said, “The center will cooperate with KAIST researchers who are experts in various fields, including structures, materials, construction, and maritime research. Based on this collaboration, the center will contribute to achieving autonomous technologies by developing fundamental and applicable technology related with submerged floating tunnel systems. It will also take the role of a leading global research hub in the field of submerged floating tunnels as well as construction technologies.”
2017.09.07
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KAIST AI Academy for LG CNS Employees
The Department of Industrial & Systems Engineering (Graduate School of Knowledge Service Engineering) at KAIST has collaborated with LG CNS to start a full-fledged KAIST AI Academy course after the two-week pilot course for employees of LG CNS, a Korean company specializing in IT services. Approximately 100 employees participated in the first KAIST AI Academy course held over two weeks from August 24 to September 1. LG CNS is planning to enroll a total of 500 employees in this course by the end of the year. Artificial intelligence is widely recognized as essential technology in various industries. In that sense, the KAIST AI Academy course was established to reinforce both the AI technology and the business ability of the company. In addition, it aims at leading employees to develop new business using novel technologies. The main contents of this course are as follows: i) discussing AI technology development and its influence on industries; ii) understanding AI technologies and acquiring the major technologies applicable to business; and iii) introducing cases of AI applications and deep learning. During the course, seven professors with expertise in AI deep learning from the Department of Industrial & Systems Engineering (Graduate School of Knowledge Service Engineering), including Jae-Gil Lee and Jinkyoo Park will be leading the class, including practical on-site educational programs. Based on the accumulated business experience integrated with the latest AI technology, LG CNS has been making an effort to find new business opportunities to support companies that are hoping to make digital innovations. The company aims to reinforce the AI capabilities of its employees and is planning to upgrade the course in a sustainable manner. It will also foster outside manpower by expanding the AI education to its clients who pursue manufacturing reinforcement and innovation in digital marketing. Seong Wook Lee, the Director of the AI and Big Data Business Unit said, “As AI plays an important role in business services, LG CNS decided to open the KAIST AI Academy course to deliver better value to our clients by incorporating our AI-based business cases and KAIST’s up-to-date knowledge.”
2017.09.06
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Professor Dae-Sik Im to Head the Science, Technology and Innovation Office at the Ministry of Science & ICT
(Professor Dae-Sik Im of the Department of Biological Sciences) Professor Dae-Sik Im of the Department of Biological Sciences, a renowned molecular cell biologist, was named to head the Science, Technology and Innovation Office in the Ministry of Science and ICT on August 31. He will be responsible for the oversight of national R&D projects as well as budget deliberation. Joining the KAIST faculty in 2002, he led the Creative Research Center of Cell Division and Differentiation at KAIST. Announcing the nomination of Professor Im, Cheong Wa Dae spokesman Park Soo-Hyun said, “Professor Im will be the best person to lead the innovation of the research infrastructure system for basic research studies. We believe that his expertise and leadership will make a significant impact in enhancing the nation’s science and technology competitiveness. This vice minister position in the Ministry of Science and ICT was newly created in an effort to enhance national science and technology initiatives by President Moon Jae-In. Professor Im said at the news conference, “I would like to make a sustainable, as well as credible, system ensuring the ingenuity of scientists in Korean labs. To this end, I will make every effort to enhance Korea’s innovative research environment in a way to maximize research achievements.”
2017.09.03
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Discovery of an Optimal Drug Combination: Overcoming Resistance to Targeted Drugs for Liver Cancer
A KAIST research team presented a novel method for improving medication treatment for liver cancer using Systems Biology, combining research from information technology and the life sciences. Professor Kwang-Hyun Cho in the Department of Bio and Brain Engineering at KAIST conducted the research in collaboration with Professor Jung-Hwan Yoon in the Department of Internal Medicine at Seoul National University Hospital. This research was published in Hepatology in September 2017 (available online from August 24, 2017). Liver cancer is the fifth and seventh most common cancer found in men and women throughout the world, which places it second in the cause of cancer deaths. In particular, Korea has 28.4 deaths from liver cancer per 100,000 persons, the highest death rate among OECD countries and twice that of Japan. Each year in Korea, 16,000 people get liver cancer on average, yet the five-year survival rate stands below 12%. According to the National Cancer Information Center, lung cancer (17,399) took the highest portion of cancer-related deaths, followed by liver cancer (11,311) based on last year data. Liver cancer is known to carry the highest social cost in comparison to other cancers and it causes the highest fatality in earlier age groups (40s-50s). In that sense, it is necessary to develop a new treatment that mitigates side effects yet elevates the survival rate. There are ways in which liver cancer can be cured, such as surgery, embolization, and medication treatments; however, the options become limited for curing progressive cancer, a stage in which surgical methods cannot be executed. Among anticancer medications, Sorafenib, a drug known for enhancing the survival rate of cancer patients, is a unique drug allowed for use as a targeted anticancer medication for progressive liver cancer patients. Its sales reached more than ten billion KRW annually in Korea, but its efficacy works on only about 20% of the treated patients. Also, acquired resistance to Sorafenib is emerging. Additionally, the action mechanism and resistance mechanism of Sorafenib is only vaguely identified.Although Sorafenib only extends the survival rate of terminal cancer patients less than three months on average, it is widely being used because drugs developed by global pharmaceutical companies failed to outperform its effectiveness. Professor Cho’s research team analyzed the expression changes of genes in cell lines in response to Sorafenib in order to identify the effect and the resistance mechanism of Sorafenib. As a result, the team discovered the resistance mechanism of Sorafenib using Systems Biology analysis. By combining computer simulations and biological experiments, it was revealed that protein disulfide isomerase (PDI) plays a crucial role in the resistance mechanism of Sorafenib and that its efficacy can be improved significantly by blocking PDI. The research team used mice in the experiment and discovered the synergic effect of PDI inhibition with Sorafenib for reducing liver cancer cells, known as hepatocellular carcinoma. Also, more PDIs are shown in tissue from patients who possess a resistance to Sorafenib. From these findings, the team could identify the possibility of its clinical applications. The team also confirmed these findings from clinical data through a retrospective cohort study. “Molecules that play an important role in cell lines are mostly put under complex regulation. For this reason, the existing biological research has a fundamental limitations for discovering its underlying principles,” Professor Cho said. “This research is a representative case of overcoming this limitation of traditional life science research by using a Systems Biology approach, combining IT and life science. It suggests the possibility of developing a new method that overcomes drug resistance with a network analysis of the targeted drug action mechanism of cancer.” The research was supported by the National Research Foundation of Korea (NRF) and funded by the Ministry of Science and ICT. (Figure 1. Simulation results from cellular experiments using hepatocellular carcinoma) (Figure 2. Network analysis and computer simulation by using the endoplasmic reticulum (ER) stress network) (Figure 3. ER stress network model)
2017.08.30
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The Medici Effect: Highly Flexible, Wearable Displays Born in KAIST
(Ph.D. candidate Seungyeop Choi) How do you feel when technology you saw in a movie is made into reality? Collaboration between the electrical engineering and textile industries has made TVs or smartphone screens displaying on clothing a reality. A research team led by Professor Kyung Cheol Choi at the School of Electrical Engineering presented wearable displays for various applications including fashion, IT, and healthcare. Integrating OLED (organic light-emitting diode) into fabrics, the team developed the most highly flexible and reliable technology for wearable displays in the world. Recently, information displays have become increasingly important as they construct the external part of smart devices for the next generation. As world trends are focusing on the Internet of Things (IoTs) and wearable technology, the team drew a lot of attention by making great progress towards commercializing clothing-shaped ‘wearable displays’. The research for realizing displays on clothing gained considerable attention from academia as well as industry when research on luminescence formed in fabrics was introduced in 2011; however, there was no technology for commercializing it due to its surface roughness and flexibility. Because of this technical limitation, clothing-shaped wearable displays were thought to be unreachable technology. However, the KAIST team recently succeeded in developing the world’s most highly efficient, light-emitting clothes that can be commercialized. The research team used two different approaches, fabric-type and fiber-type, in order to realize clothing-shaped wearable displays. In 2015, the team successfully laminated a thin planarization sheet thermally onto fabric to form a surface that is compatible with the OLEDs approximately 200 hundred nanometers thick. Also, the team reported their research outcomes on enhancing the reliability of operating fiber-based OLEDs. In 2016, the team introduced a dip-coating method, capable of uniformly depositing layers, to develop polymer light-emitting diodes, which show high luminance even on thin fabric. Based on the research performance in 2015 and 2016, Ph.D. candidate Seungyeop Choi took the lead in the research team and succeeded in realizing fabric-based OLEDs, showing high luminance and efficiency while maintaining the flexibility of the fabric. The long-term reliability of this wearable device that has the world’s best electrical and optical characteristics was verified through their self-developed, organic and inorganic encapsulation technology. According to the team, their wearable device facilitates the operation of OLEDs even at a bending radius of 2mm. According to Choi, “Having wavy structures and empty spaces, fiber plays a significant role in lowering the mechanical stress on the OLEDs.” “Screen displayed on our daily clothing is no longer a future technology,” said Professor Choi. “Light-emitting clothes will have considerable influence on not only the e-textile industry but also the automobile and healthcare industries.” Moreover, the research team remarked, “It means a lot to realize clothing-shaped OLEDs that have the world’s best luminance and efficiency. It is the most flexible fabric-based light-emitting device among those reported. Moreover, noting that this research carried out an in-depth analysis of the mechanical characteristics of the clothing-spared, light-emitting device, the research performance will become a guideline for developing the fabric-based electronics industry.” This research was funded by the Ministry of Trade, Industry and Energy and collaborated with KOLON Glotech, INC. The research performance was published in Scientific Reports in July. (OLEDs operating in fabrics) (Current-voltage-luminance and efficiency of the highly flexible, fabric-based OLEDs;Image of OLEDs after repetitive bending tests;Verification of flexibility through mechanical simulation)
2017.08.24
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Solutal Marangoni Flows of Miscible Liquid Drive Transport without Surface Contamination
(Professor Hyoungsoo Kim, Department of Mechanical Engineering, KAIST) A research team led by Hyoungsoo Kim, a professor of Mechanical Engineering at KAIST, succeeded in quantifying the phenomenon called, the Marangoni effect, which occurs at the interface between alcohol and water. It is expected that this finding will be a valuable resource used for effectively removing impurities from a surface fluid without any contamination, and developing materials that can replace surfactants. This research, co-conducted with a research team led by Professor Howard A. Stone at Princeton University, was published online in Nature Physics on July 31. The Marangoni effect, also known as tears of wine, is generated when two fluids having a different surface tension meet, causing finite mixing, spreading time and length scale. Typically, people believe that infinitely miscible liquids immediately mix together; however, it is not always true according to this paper. The typical surface tension of alcohol is three times lower than that of water, and this different surface tension generates the Marangoni-driven convection flow at the interface of the two liquids. In addition, there is a certain amount of time required for them to mix. This phenomenon has been discussed many times since it was discovered in early the 20th century, yet there was a limit to quantifying and explaining it. Professor Kim, considering the mixing and spreading mechanism, used various flow visualization techniques and equipment for capturing high speed images in his experiment. Through the flow visualization methods, the team succeeded in quantifying and explaining the complex, physicochemical phenomenon generated between water and alcohol. Moreover, they developed a theoretical model to predict the physicochemical hydrodynamic phenomena. The theoretical model can predict the speed of Marangoni-driven convection flow, the area of a drop of alcohol and the time required to develop the flow field. Hence, this model can map out types of materials (e.g., alcohol) and the volume of a drop of liquid as applicable to target a specific situation. Moreover, the research team believes that the interfacial flow enables the driving of bulk flows and that it can be a source of technology for effectively delivering drugs and removing impurities from a surface of substance without causing secondary contamination. Above all, the results show a possibility for replacing surfactant with alcohol as a material used for delivering drugs. In the case of the drug delivery, some drugs are encapsulated with a surfactant in order to be effectively transported in vivo; however, the surfactant accumulates in the body, which can cause various side effects, such as heart disease. Therefore, using new materials like alcohol for drug delivery will contribute to preventing the side effects caused by the surfactant. “The surfactant is used for delivering drugs, but it is difficult to be expelled from the body. This will cause various side effects, such as heart diseases in asthmatic patients,” said Professor Kim. “I hope that using new materials, like alcohol, will free people from these side effects.” (Marangoni-driven convection flow generated at the interface between water and alcohol, and the flow visualization results) - A drop of alcohol on a water surface - Comparison of mixing structures on the surface - Marangoni mixing flow under the free surface
2017.08.18
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Professor Dan Keun Sung Endows Scholarship in Honor of His Retirement
Professor Dan Keun Sung in the School of Electrical Engineering contributed a 100 million KRW scholarship fund this month to KAIST to mark his retirement after more than three decades of work. “As my retirement date comes closer, I have been thinking about what I could do for the school. I wanted to leave something behind, even though it’s small, for my lifelong school and students. I am hoping that this scholarship fund will benefit the members of KAIST.” This isn’t his first time making a donation to KAIST. In 2013, Professor Sung donated ten million KRW, which was his cash prize from the 9th Haedong Academic Award of The Korean Institute of Communications and Information Sciences (KICS). At that time, Professor Sung had the chance to create a scholarship fund in his name; however, he wanted to highlight that the scholarship fund was for ‘someone,’ not created by ‘someone.’ In that sense, his scholarship fund was created with no name to benefit students in the School of Electrical Engineering. His colleagues and students supported his idea. Professor Seonghwan Cho, students, and alumni also participated in fund raising efforts, which reached 55 million KRW in total. Professor Sung emphasized, “Donations should always be remembered, no matter how small they are.” He then explained his purpose for creating the scholarship fund by saying, “Fundraising can be truly meaningful to contributors, knowing that their money is going to supporting the school and students.” Professor Sung, a fellow of the Institute of Electrical and Electronics Engineers (IEEE) Communication Society, started his post at KAIST in 1986. For the past 30 years, he has devoted himself to fostering young scholars and studying in the area of information and communication. He also participated in developing technologies for the resource management of various future cellular components, such as satellites, switchboards, and signaling networks.
2017.08.11
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KAIST Researchers Receive Awards at the 13th Asian Congress on Biotechnology
(From left: Seon Young Park, Dr. So Young Choi, and Yoojin Choi) Researchers in the laboratory of KAIST Distinguished Professor Sang Yup Lee from the Department of Chemical and Biomolecular Engineering swept awards at the 13th Asian Congress on Biotechnology held in Thailand last month. The conference awarded a total of eight prizes in the areas of best research and best poster presentation. This is an exceptional case in which members of one research team received almost half of the awards at an international conference. Dr. So Young Choi received the Best Research Award, while Ph.D. candidates Yoojin Choi and Seon Young Park each received the Best Poster Presentation Award at the conference held in Khon Kaen, Thailand from July 23 to 27. The Asian Congress on Biotechnology is an international conference in which scientists and industry experts in Asia and from around the world gather to present recent research findings in the field of biotechnology. At the conference, around 400 researchers in biotechnology from 25 countries, including Korea, gathered to present and discuss various research findings under the theme of “Bioinnovation and Bioeconomy.” Distinguished Professor Sang Yup Lee attended the conference to give the opening plenary lecture on the topic of ‘Systems Strategies in Biotechnology.’ Professor Lee announced, “I have attended international conferences with students for the last 20 years, but this is the first in which my team received three awards at an international conference that only honors a total of eight awards, three for Best Research and five for Best Presentation.” Dr. Choi presented research results on poly (lactate-co-glycolate) (PLGA) synthesis through a biological method using micro-organisms and received the Best Research Award. PLGA is a random copolymer of DL-lactic and glycolic acids and is a biopolymer widely used for biomedical applications. PLGA is biodegradable, biocompatible, and nontoxic, and thus has been approved by the US Food and Drug Administration (FDA) for its use in implants, drug delivery, and sutures. Dr. Choi’s research was deemed to be innovative for synthesizing PLGA from glucose and xylose in cells through metabolic engineering of E.Coli. Dr. Choi received her Ph.D. under the supervision of Distinguished Professor Lee this February and is currently conducting post-doc research. Ph.D. candidate Choi presented her research on the use of recombinant E.Coli for the biological synthesis of various nanoparticles and received the Best Poster Presentation award. Choi used recombinant E.Coli-expressing proteins and peptides that adsorb to heavy metals to biologically synthesize diverse metal nanoparticles such as single-nanoparticle including gold and silver, quantum dots, and magnetic nanoparticles for the first time. The synthesized nanoparticles can be used in the fields of bio-imaging, diagnosis, environment, and energy. Ph.D. candidate Park, who also received the Best Poster Presentation award, synthesized and increased production of astanxanthin, a strong antioxidant found in nature, in E.Coli using metabolic engineering. Astanxanthin is a carotenoid pigment found in salmon and shrimp that widely used in health products and cosmetics.
2017.08.01
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Analysis of Gas Adsorption Properties for Amorphous Porous Materials
Professor Jihan Kim from the Department of Chemical and Biomolecular Engineering at KAIST has developed a method to predict gas adsorption properties of amorphous porous materials. Metal-organic frameworks (MOFs) have large surface area and high density of pores, making them appropriate for various energy and environmental-related applications. And although most MOFs are crystalline, these structures can deform during synthesis and/or industrial processes, leading to loss in long-range order. Unfortunately, without the structural information, existing computer simulation techniques cannot be used to model these materials. In this research, Professor Kim’s research team demonstrated that one can replace the material properties of structurally deformed MOFs with those of crystalline MOFs to indirectly analyze/model the material properties of amorphous materials. First, the team conducted simulations on methane gas adsorption properties for over 12,000 crystalline MOFs to obtain a large training set data, and created a resulting structure-property map. Upon mapping the experimental data of amorphous MOFs onto the structure-property map, results showed that regardless of crystallinity, the gas adsorption properties of MOFs showed congruence and consistency amongst one another. Based on these findings, selected crystalline MOFs with the most similar gas adsorption properties as the collapsed structure from the 12,000 candidates. Then, the team verified that the adsorption properties of these similar MOFs can be successfully transferred to the deformed MOFs across different temperatures and even to different gas molecules (e.g. hydrogen), demonstrating transferability of properties. These findings allow material property prediction in porous materials such as MOFs without structural information, and the techniques here can be used to better predict and understand optimal materials for various applications including, carbon dioxide capture, gas storage and separations. This research was conducted in collaboration with Professor Dae-Woon Lim at Kyoto University, Professor Myunghyun Paik at Seoul National University, Professor Minyoung Yoon at Gachon University, and Aadesh Harale at Saudi Arabian Oil Company. The research was published in the Proceedings of the National Academy of Sciences (PNAS) online on 10 July and the co-first authors were Ph. D. candidate WooSeok Jeong and Professor Dae-Woon Lim. This research was funded by the Saudi Aramco-KAIST CO2 Management Center. (Figure 1. Trends in structure - material property map and in collapsed structures) (Figure 2. Transferability between the experimental results of collapsed MOFs and the simulation results of crystalline MOFs)
2017.07.26
View 10575
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