• 한국수소및신에너지학회논문집
• /
• 제33권5호
• /
• pp.591-597
• /
• 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
• /
• 제27권6호
• /
• pp.651-656
• /
• 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
• /
• 제31권11호
• /
• pp.3173-3179
• /
• 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.

• 한국주조공학회지
• /
• 제39권2호
• /
• pp.21-25
• /
• 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.

• 대한화학회지
• /
• 제9권3호
• /
• pp.128-133
• /
• 1965

Hydrazonium diphosphate 結晶은 單斜晶係에 屬하여 單位格子는 $a=4.52{\pm}0.02, b=8.06{\pm}0.03, c=10.74{\pm}0.03 {\AA}$ 및 ${\beta}=100{\pm}0.5^{\circ}$이다. 單位格子속에는 2個의 化學單位가 들어있으며 空間群은 $P2_1/C$이다. 이 物質의 結晶構造를 Flourier 合成法과 Patterson 合成法에 依하여 決定하였다. $PO_4^{+++}$ 이온은 大略 regular 한 正四面體를 이루고 있으며 P-O 距離의 平均値는 $1.55{\AA}$이다. $N_2H_6^{++}$ 이온에서 N-N 距離는 $1.40{\AA}$이며 이값은 $N_2H_6SO_4$結晶에서의 값과 一致한다. 한 分子內에는 對稱의 中心이 있으며 各 N 原子는 2.62, 2.79 및 $2.89{\AA}$의 距離를 갖인 N…O型 水素結合을 이루고 있다. 또 다른 $PO_4^{+++}$이온 間에는 $2.63{\AA}$의 距離를 가진 한個의 O…O 水素結合을 이루고 있다. 이 物質의 構造는 上記한 N…O 및 O…O水素結合으로 三次元的 network를 이루고 있다.

• Journal of Ginseng Research
• /
• 제47권2호
• /
• pp.228-236
• /
• 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.

• 한국재료학회:학술대회논문집
• /
• 한국재료학회 2011년도 추계학술발표대회
• /
• pp.7-7
• /
• 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.

• 대한화학회지
• /
• 제18권5호
• /
• pp.329-340
• /
• 1974

X-선 회절법을 이용하여 sulfadiazine, $C_{10}H_{10}N_4O_2S$, 의 결정 및 분자 구조를 규명하였다. Acetone 과 ethanol의 혼합용액으로 부터 얻은 결정은 일사축계에 속하며, 단위세포에는 4분자가 있고, 공간군은 P21/c이다. 단위세포 상수는 $a=13.71{\pm}0.04,\;b=5.84{\pm}0.03,\;c=15.11{\pm}0.05{\AA},\;{\beta}=115.0{\pm}0.3^{\circ}$이다. 결정구조는 3차원적인 와이센버그사진으로 부터 얻어진 실험치를 이용하여 패터슨합성과 프리에합성을 하고 이를 해석하여 밝혀냈다. 수소원자를 제외한 원자들의 좌표치는 최소자승법으로 정밀화 하였으며, 최종 R값은 관측된 1517개의 독립반사에 대하여 0.15이다. 벤젠고리와 피리미딘고리의 두 평면이 이루는 각은 $76^{\circ}$이고, S-N(1)결합을 중심으로 한 N(1)-C(1) 결합과 S-C(5)결합이 이루는 conformational angle은 $77^{\circ}$로서 gauche형을 하고 있다. 이미노기의 질소원자, N(1)은 대칭중심에 의하여 옮겨지는 다른 분자의 피리미딘고리의 질소원자, N(3)와 $N-H{\cdots}N$형의 수소결합을 이루고 있으며, 아미노기의 질소원자, N(4)는 b축의 거리만큼 떨어져 있는 다른분자의 산소원자, O(1) 및 O(2)와 두개의 $N-H{\cdots}O$형 수소결합을 이루고 있다. 이들 수소결합의 2차원적 그물은 (100)면에 평행한 무한한 분자층을 형성하며 인접분자층 사이에는 van der Waals의 힘에 의하여 결합되어 있다

• Elastomers and Composites
• /
• 제44권3호
• /
• pp.196-208
• /
• 2009

감응 성질을 탑재한 복잡한 고분자 재료가 시장에 등장하기 시작하고 있다. 가역적이며 비공유성인 상호작용을 사용하여 이와 같은 감응형 재료를 설계하는 예가 많아지고 있다. 최근에 개발된 수소결합 단위가 이와 같은 설계 기법을 극으로 치닫게 하고 있다. 단량체를 이어주는 힘이 수소결합뿐인 초분자 고분자는 온도나 용매의 변화에 기계적 성질이 감응되는 재료를 형성한다. 본 보문에서는 수소결합으로 이루어진 초분자 고분자가 자기치유 재료로 사용되는 예를 소개한다. 재생 가능한 고무성 재료를 합성하는 일은 그리 매력적이라 할 수 없다. 그러나 상온에서 접착제를 사용하지 않고도 손상을 반복해서 치유할 수 있는 고무 재료는 우리의 상상의 나래를 펼치게 하는 재료이다. 외부의 간섭 없이 환경적 자극에 비선형적으로 감응하여 파손된 부분을 치유시키는 재료인 자기치유 재료는 여러 가지 첨단공학 계에서 엄청난 가능성을 가진 재료라 할 수 있다.

• 한국가스학회지
• /
• 제2권1호
• /
• pp.59-65
• /
• 1998

4,4'-diphenylmethane diisocyanate (MDI)와 폴리에스테르 폴리올 그리고 1,4-butane diol로부터 폴리우레탄을 제조하고 모폴로지와 열적 특성에 대하여 연구하였다. Fourier transform infrared spectroscopy (FT-IR)를 이용한 폴리우레탄의 모폴로지 관찰에서 수소 결합된 N-H 피크와 C=O 피크는 폴리우레탄에서 하드 세그먼트(hard segment)의 함량이 증가할수록 낮은 주파수대로 전이되어 수소 결합이 증가함을 알 수 있었다. 시차 주사 열분석기(DSC)를 이용한 열적 특성에 대한 연구에서 폴리우레탄의 유리전이온도($T_g$)는 하드세그먼트의 함량이 증가함에 따라 증가하였다. 또한 소프트 세그먼트(soft segment)의 $T_g$는 관찰할 수 없었으며 이로부터 본 연구에서 제조된 폴리우레탄은 MDI의 높은 작용기로 인하여 화학 결합에 의한 경화 반응으로 균일한 망상구조를 가지고 있음을 알 수 있었다. 또한 DSC로부터 관측된 폴리우레탄의 $T_g$는 Fox 식으로부터 예측된 $T_g$와 큰 차이를 나타냈으며, 이는 경화 반응으로 인하여 폴리우레탄 사슬의 운동성이 제약되기 때문으로 생각된다. 동적 기계적 열분석(DMTA)에서도 소프트 세그먼트의 전이온도는 관찰되지 않았으며 이로부터 본 연구에서 제조된 폴리우레탄에서 하나의 상을 갖는 모폴로지를 확인할 수 있었다.