• Transactions of the Korean hydrogen and new energy society
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• v.33 no.5
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• pp.591-597
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• 2022

Recently, technologies for efficient power grid operation have become important due to climate change. For this reason, predicting power demand using deep learning is being considered, and it is necessary to understand the influence of characteristics of each region, industrial structure, and climate. This study analyzed the power demand of New Jersey in US, with a high urbanization rate and a large service industry, and West Virginia in US, a low urbanization rate and a large coal, energy, and chemical industries. Using recurrent neural network algorithm, the power demand from January 2020 to August 2022 was learned, and the daily and weekly power demand was predicted. In addition, the power grid operation based on the power demand forecast was discussed. Unlike previous studies that have focused on the deep learning algorithm itself, this study analyzes the regional power demand characteristics and deep learning algorithm application, and power grid operation strategy.

• Molecules and Cells
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• v.27 no.6
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• pp.651-656
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• 2009

The formation of ${\beta}$-amyloid peptide ($A{\beta}$) is initiated from cleavage of amyloid precursor protein (APP) by a family of protease, ${\alpha}$-, ${\beta}$-, and ${\gamma}$-secretase. Sub W, a substrate peptide, consists of 10 amino acids, which are adjacent to the ${\beta}$-cleavage site of wild-type APP, and Sub M is Swedish mutant with double mutations on the left side of the ${\beta}$-cleavage site of APP. Sub W is a normal product of the metabolism of APP in the secretary pathway. Sub M is known to increase the efficiency of ${\beta}$-secretase activity, resulting in a more specific binding model compared to Sub W. Three-dimensional structures of Sub W and Sub M were studied by CD and NMR spectroscopy in water solution. On the basis of these structures, interaction models of ${\beta}$-secretase and substrate peptides were determined by molecular dynamics simulation. Four hydrogen bonds and one water-mediated interaction were formed in the docking models. In particular, the hydrogen bonding network of Sub M-BACE formed spread over the broad region of the active site of ${\beta}$-secretase (P5-P3'), and the side chain of P2- Asn formed a hydrogen bond specifically with the side chain of Arg235. These are more favorable to the cleavage of Sub M by ${\beta}$-secretase than Sub W. The two substrate peptides showed different tendency to bind to ${\beta}$-secretase and this information may useful for drug development to treat and prevent Alzheimer's disease.

• Bulletin of the Korean Chemical Society
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• v.31 no.11
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• pp.3173-3179
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• 2010

New complex $[Mn(II)H_{1.5}L]_2[Mn(II)H_3L]_2(ClO_4)_5{\cdot}3H_2O$ (1), where $H_3L$ is tris {2-(4-imidazolyl)methyliminoethyl} amine (imtren), has been prepared by reacting manganese(II) perchlorate hexahydrate with the imtren ligand in methanol. X-ray crystallographic study revealed that the imtren ligand hexadentately binds to Mn(II) ion through the three Schiff-base imine N atoms and three imidazole N atoms with a distorted octahedral geometry, and the apical tertiary amine N atom of the ligand pseudo-coordinates to Mn(II), forming overall a pseudo-seven coordination environment. The hydrogen-bonds between imidazole and imidazolate of $[Mn(II)H_{1.5}L]^{0.5+}$ complex ions are extended to build a 2D puckered network with trigonal voids. $[Mn(II)H_3L]^{2+}$ complex ions constitutes another extended 2D puckered layer without hydrogen bonds. Two layers are wedged each other to constitute overall stack of the crystal. Peroxidase activity of complex 1 was examined by observing the oxidation of 2,2'-azinobis(3-ethylbenzothiazoline)-6-sulfonic acid (ABTS) with hydrogen peroxide in the presence of complex 1. Generation of $ABTS^{+{\cdot}}$ was observed by UV-vis and EPR spectroscopies, indicating that the complex 1, a fully-coordinated mononuclear Mn(II) complex with nitrogen-only ligand, has a heme-independent peroxidase activity.

• Journal of Korea Foundry Society
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• v.39 no.2
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• pp.21-25
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• 2019

Microstructural and corresponding hardness changes of TiFe compounds with Zr (0~6 at%) or Ce (0~3 at%) were studied using samples prepared at different solidification rates. In arc-melted (TiFe)-Zr samples, the $Fe_{23}$ $Zr_6$ and $(Ti,\;Zr)_2Fe$ phases formed in the TiFe matrix, while in the (TiFe)-Ce sample, the $CeO_2$ phase formed along the grain boundary of the TiFe matrix. As the Zr content was increased, the volume fractions of the $Fe_{23}$ $Zr_6$ and $(Ti,\;Zr)_2Fe$ phases increased, forming a network structure. Accordingly, the hardness values of the samples also increased. With a small addition of Ce of approximately 0.1 at%, the as-cast microstructure could be effectively refined, reducing the average grain boundary diameter from ${\sim}100{\mu}m$ to ${\sim}14{\mu}m$. In the rapidly solidified sample prepared through a melt-spinning method, the constituent phases were identical to those of the arc-melted samples while the grains were refined. The microstructural changes of TiFe alloys can affect the hydrogen storage ability as well as the mobility of the hydrogen atoms in the alloys.

• Journal of the Korean Chemical Society
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• v.9 no.3
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• pp.128-133
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• 1965

Hydrazonium diphosphate crystallizes with the space-group symmetry $P2_1/C.$ There are two formular units of $N_2H_6H_4(PO_4)_2$ in the unit cell, for which $a = 4.52{\pm}0.02, b = 8.06{\pm}0.03, c = 10.74{\pm}0.03{\AA}\;and\; {\beta} = 100{\pm}0.5^{\circ}.$ The determination of the crystal structure was carried out by means of Patterson, Fourier and difference syntheses. The phosphate group has configuration of nearly regular tetrahedron with the mean P-O distance of $1.55{\AA}.$ The N-N distance found is $1.40{\AA},$ which corresponds to previously reported values for the $N_2H_6^{++} \;ion \;in\; N_2H_6SO_4.$ A molecule has a transform with a center of symmetry in it. Each nitrogen atom forms three hydrogen bonds with the N…O distances 2.62, 2.79 and $2.89{\AA}.$ And a O…O hydrogen bond between different phosphate groups is found with the distance $2.63{\AA}.$ The structure is held together by three-dimensional network of the strong hydrogen bonds.

• Journal of Ginseng Research
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• v.47 no.2
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• pp.228-236
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• 2023

Background: QiShen YiQi pills (QSYQ) is a Traditional Chinese Medicine (TCM) formula, which has a significant effect on the treatment of patients with myocardial infarction (MI) in clinical practice. However, the molecular mechanism of QSYQ regulation pyroptosis after MI is still not fully known. Hence, this study was designed to reveal the mechanism of the active ingredient in QSYQ. Methods: Integrated approach of network pharmacology and molecular docking, were conducted to screen active components and corresponding common target genes of QSYQ in intervening pyroptosis after MI. Subsequently, STRING and Cytoscape were applied to construct a PPI network, and obtain candidate active compounds. Molecular docking was performed to verify the binding ability of candidate components to pyroptosis proteins and oxygen-glucose deprivation (OGD) induced cardiomyocytes injuries were applied to explore the protective effect and mechanism of the candidate drug. Results: Two drug-likeness compounds were preliminarily selected, and the binding capacity between Ginsenoside Rh2 (Rh2) and key target High Mobility Group Box 1 (HMGB1)was validated in the form of hydrogen bonding. 2 μM Rh2 prevented OGD-induced H9c2 death and reduced IL-18 and IL-1β levels, possibly by decreasing the activation of the NLRP3 inflammasome, inhibiting the expression of p12-caspase1, and attenuating the level of pyroptosis executive protein GSDMD-N. Conclusions: We propose that Rh2 of QSYQ can protect myocardial cells partially by ameliorating pyroptosis, which seems to have a new insight regarding the therapeutic potential for MI.

• Proceedings of the Materials Research Society of Korea Conference
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• 2011.10a
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• pp.7-7
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• 2011

Quantum beam technology has been expected to develop breakthroughs for nanotechnology during the third basic plan of science and technology (2006~2010). Recently, Green- or Life Innovations has taken over the national interests in the fourth basic science and technology plan (2011~2015). The NIMS (National Institute for Materials Science) has been conducting the corresponding mid-term research plans, as well as other national projects, such as nano-Green project (Global Research for Environment and Energy based on Nanomaterials science). In this lecture, the research trends in Japan and NIMS are firstly reviewed, and the typical achievements are highlighted over key nanotechnology fields. As one of the key nanotechnologies, the quantum beam research in NIMS focused on synchrotron radiation, neutron beams and ion/atom beams, having complementary attributes. The facilities used are SPring-8, nuclear reactor JRR-3, pulsed neutron source J-PARC and ion-laser-combined beams as well as excited atomic beams. Materials studied are typically fuel cell materials, superconducting/magnetic/multi-ferroic materials, quasicrystals, thermoelectric materials, precipitation-hardened steels, nanoparticle-dispersed materials. Here, we introduce a few topics of neutron scattering and ion beam nanofabrication. For neutron powder diffraction, the NIMS has developed multi-purpose pattern fitting software, post RIETAN2000. An ionic conductor, doped Pr2NiO4, which is a candidate for fuel-cell material, was analyzed by neutron powder diffraction with the software developed. The nuclear-density distribution derived revealed the two-dimensional network of the diffusion paths of oxygen ions at high temperatures. Using the high sensitivity of neutron beams for light elements, hydrogen states in a precipitation-strengthened steel were successfully evaluated. The small-angle neutron scattering (SANS) demonstrated the sensitive detection of hydrogen atoms trapped at the interfaces of nano-sized NbC. This result provides evidence for hydrogen embrittlement due to trapped hydrogen at precipitates. The ion beam technology can give novel functionality on a nano-scale and is targeting applications in plasmonics, ultra-fast optical communications, high-density recording and bio-patterning. The technologies developed are an ion-and-laser combined irradiation method for spatial control of nanoparticles, and a nano-masked ion irradiation method for patterning. Furthermore, we succeeded in implanting a wide-area nanopattern using nano-masks of anodic porous alumina. The patterning of ion implantation will be further applied for controlling protein adhesivity of biopolymers. It has thus been demonstrated that the quantum beam-based nanotechnology will lead the innovations both for nano-characterization and nano-fabrication.

• Journal of the Korean Chemical Society
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• v.18 no.5
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• pp.329-340
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• 1974

Sulfadiazine, $C_{10}H_{10}N_4O_2S$, forms monoclinic crystals of space group $P21}c$ from a mixture of acetone and ethanol with $a=13.71{\pm}0.04,\;b=5.84{\pm}0.03,\;c=15.11{\pm}0.05{\AA},\;{\beta}=115.0{\pm}0.3^{\circ}$, and four molecules per cell. Three dimensional photographic data were collected with $CuK\alpha$ radiation. The structure was determined using Patterson and Fourier synthesis methods and refined by block diagonal least-squares methods with isotropic thermal parameter for all non-hydrogen atoms. The final R value was 0.15 for the 1517 observed independent reflections. The dihedral angle between the planes through the benzene ring and the pyrimidine ring is $76^{\circ}$. The conformational angle formed by the projection of the S-C(5) bond with that of N(1)-C(1) where the projection is taken along the S-N(1) bond is $77^{\circ}$. The imino nitrogen atom, N(1), and pyrimidine nitrogen atom, N(3), form intermolecular $N-H{\cdots}N$ hydrogen bond between the molecules related by center of symmetry. Amino nitrogen atom, N(4), forms two intermolecular $N-H{\cdots}O$ hydrogen bonds, with O(1) and O(2) atoms of different molecules separated by b. A two dimensional network of hydrogen bonds form infinite molecular sheets parallel to the (100) plane. Adjacent sheets are bound together by van der Waals forces.

• Elastomers and Composites
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• v.44 no.3
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• pp.196-208
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• 2009

Sophisticated polymeric materials with 'responsive' properties are beginning to reach the market. The use of reversible, noncovalent interactions is a recurring design principle for responsive materials. Recently developed hydrogen-bonding units allow this design principle to be taken to its extreme. Supramolecular polymers, where hydrogen bonds are the only force keeping the monomers together, form materials whose (mechanical) properties respond strongly to a change in temperature or solvent. In this review, we describe some examples of hydrogen-bonded supramolecular polymers that can be utilized for self-healing materials. Synthesis of a rubber-like material that can be recycled might not seem exciting. But one that can also repeatedly repair itself at room temperature, without adhesives, really stretches the imagination. Autonomic healing materials respond without external intervention to environmental stimuli in a nonlinear and productive fashion, and have great potential for advanced engineering systems.

• Journal of the Korean Institute of Gas
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• v.2 no.1
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• pp.59-65
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• 1998

Morphology and thermal properties of polyurethane synthesized from 4,4'-diphenylmethane diisocyanate (MDI), polyester polyol, and 1,4-butane diol are investigated using fourier transform infrared spectroscopy (FT-IR), differential scanning calorimeter (DSC), and dynamic mechanical thermal analysis (DMTA). From the FT-IR study, it is found that the stretching peaks of hydrogen bonded N-H and C=O are shifted to the low frequencies with the increase of hard segment content of the polyurethanes. The shift of the stretching peaks of hydrogen bonded N-H and C=O indicates that the degree of hydrogen bonding is increased. From the DSC study, it appears that the glass transition temperature ($T_g$) of the polyurethanes is increased with the increase of the hard segment content. Also, it is found that the polyurethanes investigated in this study have the homogeneous network structure due to the high functionality of the MDI. From the DMTA study, transition of the soft segment was not found. Therefore it is concluded that the polyurethanes investigated in this study have the one-phase morphology which is consistent with the DSC results.