• Title/Summary/Keyword: Hybrid functional

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Effects of Surfactant and Preplate Process on Electroless Copper Plating on Carbon Nano-fiber (탄소나노섬유 표면 구리 무전해 도금에 미치는 분산제와 도금 전처리의 영향)

  • Han, Jun-Hyun;Seok, Hyun-Kwang;Lee, Sang-Soo;Jee, Kwang-Koo
    • Journal of Powder Materials
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    • v.16 no.2
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    • pp.131-137
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    • 2009
  • This paper deals with the effects of the surfactant and preplate process (sensitization and activation) on electroless copper plating on carbon nano-fiber (CNF). Ultrasonic irradiation was applied both during dispersion of CNF and during electroless plating containing preplate process. The dispersion of CNF and flatness of the plated copper film were discussed based on the changes in surfactant concentration and preplate process time. It was clearly shown that high concentration of surfactant and long time of preplate process could promote the agglomeration of CNF and uneven copper plating on CNF.

Trends in Computational Materials Science Based on Density Functional Theory

  • Lee, June Gunn
    • Journal of the Korean Ceramic Society
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    • v.53 no.2
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    • pp.184-193
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    • 2016
  • This review deals with computational treatments of subatomic levels of matter based on density functional theory (DFT), and tries to identify several current trends, which are largely consequences of the ever-increasing power of computers, which has substantially extended the performance of conventional DFT beyond its original scope. This review mainly focuses on the conceptual outline, rather than on lines of equations, highlighting several examples of calculations for each topic. It should be noted that these issues are hardly new to leading groups in the field, but certainly are for materials people in general. It should also be noted that the on-going efforts will continue and lead to a larger system size, a longer time scale, a higher accuracy, and a better efficiency of calculation for years to come.

Railway System Functional Safety and Certification (철도 시스템 기능 안전(Functional Safety) 및 인증)

  • Kim, You-Ho;Lee, Soo-Hwan;Park, Kang-Hun;Ko, Tae-Kuk
    • The Transactions of the Korean Institute of Electrical Engineers P
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    • v.63 no.4
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    • pp.226-235
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    • 2014
  • Nowadays, railroads are considered the most efficient form of mass transportation. Furthermore, it is necessary that railroads be paired with state-of-the-art safety equipment. Unfortunately, it is impossible to prevent 100% of accidents that may be caused by system or human errors. In order to prevent future accidents, RAMS activity and Functional Safety Certification are required for new systems that are under development. In this paper we evaluate the necessity of the application of RAMS and the performance of RAMS in the system development process. We also explore the Safety Evaluation Procedure required for RAMS certification.

Antioxidative Activities of New Citrus Hybrid 'Hamilgam' Peel Extracts (가공용 감귤 신품종 하밀감 과피 추출물의 항산화 활성)

  • An, Hyun Joo;Park, Kyung Jin;Kim, Sang Suk;Hyun, Ju Mi;Park, Jae Ho;Park, Suk Man;Yun, Su Hyun
    • Korean Journal of Medicinal Crop Science
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    • v.22 no.6
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    • pp.442-448
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    • 2014
  • The major objective of this study was to investigate the usability as cultivar for processing of new Citrus hybrid 'Hamilgam'. We investigated various antioxidant activities, such as DPPH radical, ABTS radical, Hydroxyl radical and Superoxide anion radical effect, along with total polyphenol content and total flavonoid content of Citrus hybrid 'Hamilgam', C. unshiu, C. natsudaidai. The total polyphenol content and total flavonoid content were the highest in the Hamilgam. The major flavonoids of Hamilgam and Natsudaidai were naringin and neohesperidin, and those of Unshu were narirutin and hesperidin, as determined by HPLC. Especially, the neohesperidin content of Hamilgam showed much higher (100 times over) than that of Unshu. However, the aglycone form was not found. DPPH and ABTS radical scavenging activities were the highest in Hamilgam peels. Hydroxyl radical scavenging activity was high in the order of Unshu, Hamilgam and Natsudaidai. Superoxide anion radical scavenging of 3 cultivars peels displayed low activities compared to DPPH and ABTS radical scavenging. Based on these results, Hamilgam peel extracts possess antioxidant activities and may thus serve as potential sources of functional food, cosmetic products, etc.

Frontier Orbitals of Fifteen C20H17(OH)3 Regioisomers: Hybrid DFT B3LYP Study

  • Lee, Seol;Lee, Ji Young;Lee, Kee Hag
    • Bulletin of the Korean Chemical Society
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    • v.34 no.8
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    • pp.2403-2407
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    • 2013
  • The hybrid density-functional (B3LYP/6-31G(d,p)) method was used to analyze the substitution effect on the $C_{20}H_{20}$ cage based on calculation of the frontier orbitals of fifteen $C_{20}H_{17}(OH)_3$ derivatives. All substitution products were geometrically optimized without constraints and confirmed by frequency analysis. The results suggest that the cis-1 cis-1 cis-2 regioisomer is the most stable isomer, which implies that hydrogen bonding exerts a stronger effect on the relative energies of the trihydroxide than long-range interactions. Thus, this supports the experimental result in which the bisvicinal tetrol was of particular preparative-synthetic interest. While the LUMO of each of the $C_{20}H_{17}(OH)_3$ regioisomers was equivalently delocalized over the void within the cage, the HOMO was limitedly delocalized on substituents and carbons in close proximity to the substituents. The characteristics of the HOMO of each of the regioisomers vary based on the substitution sites. This indicates that the 15 regioisomers of each $C_{20}H_{20}$ trisubstituted derivative might undergo an entirely different set of characteristic chemical reactions with electrophilic reagents. The results further suggest that the penta-substituted OH groups on the surface of the fullerene cage are more likely to be localized on a pentagon than to be homogeneously delocalized.

Influence of Silane Coupling Agents on the Interlaminar and Thermal Properties of Woven Glass Fabric/Nylon 6 Composites

  • Donghwan Cho;Yun, Suk-Hyang;Kim, Junkyung;Soonho Lim;Park, Min;Lee, Sang-Soo;Lee, Geon--Woong
    • Macromolecular Research
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    • v.12 no.1
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    • pp.119-126
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    • 2004
  • In this study, the influence of silane coupling agents, featuring different organo-functional groups on the interlaminar and thermal properties of woven glass fabric-reinforced nylon 6 composites, has been by means of short-beam shear tests, dynamic mechanical analysis, scanning electron microscopy, and thermogravimetric analysis. The results indicate that the fiber-matrix interfacial characteristics obtained using the different analytical methods agree well with each other. The interlaminar shear strengths (ILSS) of glass fabric/nylon 6 composites sized with various silane coupling agents are significantly improved in comparison with that of the composite sized commercially. ILSS of the composites increases in the order: Z-6076 with chloropropyl groups in the silanes > Z-6030 with methacrylate groups> Z-6020 with diamine groups; this trend is similar to that of results found in an earlier study of interfacial shear strength. The dynamic mechanical properties, the fracture surface observations, and the thermal stability also support the interfacial results. The improvement of the interfacial properties may be ascribed to the different chemical reactivities of the reactive amino end groups of nylon 6 and the organo-functional groups located at the ends of the silane chains, which results from the increased chemical reactivity in order chloropropyl > methacrylate > diamine.

Electrochemical Corrosion Properties of YSZ Coated AA1050 Aluminium Alloys Prepared by Aerosol Deposition (에어로졸 증착법에 의한 YSZ 코팅된 AA1050 알루미늄 합금의 전기화학적 부식 특성)

  • Ryu, Hyun-Sam;Lim, Tae-Seop;Ryu, Jung-Ho;Park, Dong-Soo;Hong, Seong-Hyeon
    • Journal of the Korean Ceramic Society
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    • v.48 no.5
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    • pp.439-446
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    • 2011
  • Yttria stabilized zirconia (YSZ) coating was formed on AA1050 Al alloys by aerosol deposition (AD), and its electrochemical corrosion properties were investigated in 3.5 wt% NaCl and 0.5M $H_2SO_4$ solutions. The crack-free, dense, and ~5 ${\mu}m$ thick YSZ coating was successfully obtained by AD. The as-deposited coating was composed of cubic-YSZ nanocrystallites of ~10 nm size. The potentiodynamic test indicated that the YSZ coated Al alloy had much lower corrosion current densities (2 nA/$cm^2$) by comparison to uncoated sample and exhibited a passive behavior in anodic branch. Particularly, a pitting breakdown potential could not be identified in $H_2SO_4$. EIS tests revealed that the impedance of YSZ coated sample was ${\sim}10^6{\Omega}cm^2$ in NaCl and ${\sim}10^7{\Omega}cm^2$ in $H_2SO_4$, which was about 3 or 4 orders of magnitude higher than that of uncoated sample. Consequently, the corrosion resistance of Al alloy had been significantly enhanced by the YSZ coating.

Development of a Hybrid fNIRS-EEG System for a Portable Sleep Pattern Monitoring Device (휴대용 수면 패턴 모니터링을 위한 복합 fNIRS-EEG 시스템 개발)

  • Gyoung-Hahn Kim;Seong-Woo Woo;Sung Hun Ha;Jinlong Piao;MD Sahin Sarker;Baejeong Park;Chang-Sei Kim
    • Journal of Biomedical Engineering Research
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    • v.44 no.6
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    • pp.392-403
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    • 2023
  • This study presents a new hybrid fNIRS-EEG system to meet the demand for a lightweight and low-cost sleep pattern monitoring device. For multiple-channel configuration, a six-channel electroencephalogram (EEG) and a functional near-infrared spectroscopy (fNIRS) system with eight photodiodes (PD) and four dual-wavelength LEDs are designed. To enhance the convenience of signal measurement, the device is miniaturized into a patch-like form, enabling simultaneous measurement on the forehead. Due to its fully integrated functionality, the developed system is advantageous for performing sleep stage classification with high-temporal and spatial resolution data. This can be realized by utilizing a two-dimensional (2D) brain activation map based on the concentration changes in oxyhemoglobin and deoxyhemoglobin during sleep stage transitions. For the system verification, the phantom model with known optical properties was tested at first, and then the sleep experiment for a human subject was conducted. The experimental results show that the developed system qualifies as a portable hybrid fNIRS-EEG sleep pattern monitoring device.

Protein Function Finding Systems through Domain Analysis on Protein Hub Network (단백질 허브 네트워크에서 도메인분석을 통한 단백질 기능발견 시스템)

  • Kang, Tae-Ho;Ryu, Jea-Woon;Kim, Hak-Yong;Yoo, Jae-Soo
    • The Journal of the Korea Contents Association
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    • v.8 no.1
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    • pp.259-271
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    • 2008
  • We propose a protein function finding algorithm that is able to predict specific molecular function for unannotated proteins through domain analysis from protein-protein network. To do this, we first construct protein-protein interaction(PPI) network in Saccharomyces cerevisiae from MIPS databases. The PPI network(proteins; 3,637, interactions; 10,391) shows the characteristics of a scale-free network and a hierarchical network that proteins with a number of interactions occur in small and the inherent modularity of protein clusters. Protein-protein interaction databases obtained from a Y2H(Yeast Two Hybrid) screen or a composite data set include random false positives. To filter the database, we reconstruct the PPI networks based on the cellular localization. And then we analyze Hub proteins and the network structure in the reconstructed network and define structural modules from the network. We analyze protein domains from the structural modules and derive functional modules from them. From the derived functional modules with high certainty, we find tentative functions for unannotated proteins.

Genetic Screening of the Dazl-Interacting Protein Genes

  • Lee, Kyung-Ho;Lee, Seong-Ju;Rhee, Kun-Soo
    • Animal cells and systems
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    • v.10 no.4
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    • pp.227-231
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    • 2006
  • Micro-deletions at specific loci of the Y chromosome have been observed frequently in male infertility patients, suggesting that genes in these regions are involved in male germ cell development. DAZ is a representative male infertility gene at the AZFc locus of the Y chromosome. Since DAZ contains an RNA binding motif along with so-called a DAZ domain, it was proposed to participate in RNA metabolism during spermatogenesis. A mouse gene homologous to the human DAZ gene has been cloned and named Dazl (DAZlike). Dazl is autosomal and expressed in the testis and also at a low level in the ovary. Male mice homozygous for the Dazl null allele have small testes with a few spermatogonia and almost complete absence of germ cells beyond the spermatogonial stage, suggesting the requirement of Dazl for entry or progression through meiosis. However, its exact cellular functions have not been understood yet. In order to investigate cellular functions of Dazl, we decided to isolate candidate interacting protein genes of the mouse Dazl, using yeast two-hybrid screening. A number of candidate Dazlinteracting proteins have been isolated, such as Bprp, Acf, Hgs, Murr1, Nbak3 and Ranbp9, but dynein light chain 1 (Dlc1) was most predominant. A strong interaction of Dazl with Dlc1 suggests that Dazl might function as an mRNA adaptor to the dynein motor complex.