Gachon+University
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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 8561 -
Nuclease-Resistant Hybrid Nanoflowers
An eco-friendly method to synthesize DNA-copper nanoflowers with high load efficiencies, low cytotoxicity, and strong resistance against nucleases has been developed by Professor Hyun Gyu Park in the Department of Chemical and Biomolecular Engineering and his collaborators.
The research team successfully formed a flower-shaped nanostructure in an eco-friendly condition by using interactions between copper ions and DNA containing amide and amine groups. The resulting nanoflowers exhibit high DNA loading capacities in addition to low cytotoxicity.
Flower-shaped nanocrystals called nanoflowers have gained attention for their distinct features of high surface roughness and high surface area to volume ratios. The nanoflowers have been used in many areas including catalysis, electronics, and analytical chemistry.
Of late, research breakthroughs were made in the generation of hybrid inorganic-organic nanoflowers containing various enzymes as organic components. The hybridization with inorganic materials greatly enhanced enzymatic activity, stability, and durability compared to the corresponding free enzymes.
Generally, the formation of protein nanocrystals requires high heat treatment so it has limitations for achieving the high loading capacities of intact DNA.
The research team addressed the issue, focusing on the fact that nucleic acids with well-defined structures and selective recognition properties also contain amide and amine groups in their nucleobases. They proved that flower-like structures could be formed by using nucleic acids as a synthetic template, which paved the way to synthesize the hybrid nanoflowers containing DNA as an organic component in an eco-friendly condition.
The team also confirmed that this synthetic method can be universally applied to any DNA sequences containing amide and amine groups. They said their approach is quite unique considering that the majority of previous works focused on the utilization of DNA as a linker to assemble the nanomaterials. They said the method has several advantageous features. First, the ‘green’ synthetic procedure doesn’t involve any toxic chemicals, and shows low cytotoxicity and strong resistance against nucleases. Second, the obtained nanoflowers exhibit exceptionally high DNA loading capacities.
Above all, such superior features of hybrid nanoflowers enabled the sensitive detection of various molecules including phenol, hydrogen peroxide, and glucose. DNA-copper nanoflowers showed even higher peroxidase activity than those of protein-copper nanoflowers, which may be due to the larger surface area of the flower- shaped structures, creating a greater chance for applying them in the field of sensing of detection of hydrogen peroxide.
The research team expects that their research will create diverse applications in many areas including biosensors and will be further applied into therapeutic applications.
Professor Park said, “The inorganic component in the hybrid nanoflowers not only exhibits low cytotoxicity, but also protects the encapsulated DNA from being cleaved by endonuclease enzymes. Using this feature, the nanostructure will be applied into developing gene therapeutic carriers.”
This research was co-led by Professor Moon Il Kim at Gachon University and KAIST graduate Ki Soo Park, currently a professor at Konkuk University, is the first author. The research was featured as the front cover article of the Journal of Materials Chemistry B on March 28, Issue 12, published by the Royal Society of Chemistry.
The research was funded by the Mid-Career Researcher Support Program of the National Research Foundation of Korea and the Global Frontier Project of the Ministry of Science, ICT & Future Planning.
(Figure: (A) Schematic illustration of the formation of nuclease-resistant DNA–inorganic nanoflowers. (B) SEM images showing time-dependent growth of DNA-nanoflowers. The concentration of A-rich ssDNA (Table S1, ESI†) was 0.25 mM.)
2017.04.14 View 8313