• 한국주조공학회지
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• 제31권3호
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• pp.124-129
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• 2011

We applied two numerical schemes to improve accuracy of the solution in the flow simulation of molten metal. One method is Piecewise Linear Interface Calculation (PLIC) method and the other is Donor-Acceptor (D-A) method. In the present work, we have tested simple problems to verify the module of the interface reconstruction algorithms. After validations, accuracy and efficiency of these two methods have compared by simulating various real products. On the numerical simulation of free surface flow, it is possible for PLIC method to track very accurately the interface between phases. PLIC method, however, has the weak point where a lot of computational time hangs, though it shows the more accurate interface reconstruction. Donor-Acceptor method has enough effectiveness in the macro observation of mold filling sequence though it shows the inferior accuracy.

• Bulletin of the Korean Chemical Society
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• 제35권5호
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• pp.1391-1396
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• 2014

In the present study, ten metal free non-linear optical (NLO) compounds have been designed. These compounds have designed by structural modification of (2-cyano-5-(4-(phenyl(4-vinylphenyl)amino)phenyl) penta-2,4-dienoic acid (TC4). Density functional theory was used for structure optimization and determination of photo-physical properties. These compounds contain triphenylamine as electron-donor and cyanoacrylic acid as acceptor. Five ${\pi}$-spacers are used to connect the donor and acceptor. Two auxiliary donors are also used to assist the donor. Results of this study indicate that stronger electron-donating auxiliary groups and longer ${\pi}$-conjugation enhance NLO response. Major absorption peaks of all systems were in the visible region. These absorption peaks are associated with the ${\pi}-{\pi}^*$ transitions of the entire molecule. From calculations it is clear that all system will be good NLO material. The present calculations will provide new ways for experimentalists to synthesize high-performance NLO material.

• Bulletin of the Korean Chemical Society
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• 제33권6호
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• pp.1900-1906
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• 2012

Three carbazole chromophores featuring dicyano, cyano, ethyl acetate and dimethyl acetate groups as an acceptor moiety with a ${\pi}$-conjugated spacer and $N$-methyl dibenzo[$b$]pyrole as donor were synthesized by Knovenagel condensation and characterized by IR, $^1HNMR$, $^{13}CNMR$, UV-vis, fluorescence spectroscopy, electrochemistry and theoretical B3LYP/6-$311G^*$ level whilst NLO properties and spectroscopic quantities were calculated. Calculations showed remarkable trend with HOMO located on the donor moiety and LUMO on the acceptors dicyano methylene, cyano, ethyl acetate methylene and dimethyl acetate methylene. In agreement with the calculations, solvatochromic, behavior intramolecular charge transfer band was observed in the visible region.

• 한국추진공학회지
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• 제21권4호
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• pp.36-43
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• 2017

격벽착화기의 최적 설계를 위하여 여폭약에 의해 생성되는 충격파의 감쇄 특성과 수폭약의 민감도에 관하여 연구하였다. 충격파의 감쇄 특성은 레이저 광간섭계인 VISAR를 이용하여 측정한 격벽의 자유 표면 속도로부터 유도하였고 수폭약의 민감도는 SSGT (Small Scale Gap Test) 결과로부터 구하였다. 격벽착화기의 기폭시험을 통하여 SSGT로부터 구한 화약의 민감도가 격벽착화기와 같이 소량의 화약을 사용하는 시스템에는 충격파 지속 시간이 상이하여 적합하지 않다는 것을 밝혀내었다.

• Bulletin of the Korean Chemical Society
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• 제34권11호
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• pp.3444-3450
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• 2013

Three phase hollow fiber-liquid phase microextraction (HF-LPME), which is faster, simpler and uses a more environmentally friendly sample-preparation technique, was developed for the analysis of Non-Steroidal Anti-Inflammatory Drugs (NSAIDs) in human urine. For the effective simultaneous extraction/concentration of NSAIDs by three phase HF-LPME, parameters (such as extraction organic solvent, pH of donor/acceptor phase, stirring speed, salting-out effect, sample temperature, and extraction time) which influence the extraction efficiency were optimized. NSAIDs were extracted and concentrated from 4 mL of aqueous solution at pH 3 (donor phase) into dihexyl ether immobilized in the wall pores of a porous hollow fiber, and then extracted into the acceptor phase at pH 13 located in the lumen of the hollow fiber. After the extraction, 5 ${\mu}L$ of the acceptor phase was directly injected into the HPLC/UV system. Simultaneous chromatographic separation of seven NSAIDs was achieved on an Eclipse XDB-C18 (4.6 mm i.d. ${\times}$ 150 mm length, 5 ${\mu}m$ particle size) column using isocratic elution with 0.1% formic acid and methanol (30:70) at a HPLC-UV/Vis system. Under optimized conditions (extraction solvent, dihexyl ether; $pH_{donor}$, 3; $pH_{acceptor}$, 13; stirring speed, 1500 rpm; NaCl salt, 10%; sample temperature, $60^{\circ}C$; and extraction time, 45 min), enrichment factors (EF) were between 59 and 260. The limit of detection (LOD) and limit of quantitation (LOQ) in the spiked urine matrix were in the concentration range of 5-15 ng/mL and 15-45 ng/mL, respectively. The relative recovery and precision obtained were between 58 and 136% and below 15.7% RSD, respectively. The calibration curve was linear within the range of 0.015-0.96 ng/mL with the square of the correlation coefficient being more than 0.997. The established method can be used to analyse of NSAIDs of low concentration (ng/mL) in urine.

• 한국광과학회:학술대회논문집
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• 한국광과학회 2003년도 학술대회지
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• pp.24-24
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• 2003

• 한국결정성장학회지
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• 제6권2호
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• pp.141-154
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• 1996

Hydride 기상증착법으로 성장시킨 InP 에피충들을 FTPL 분광법과 변온 Hall 측정법으로 조사하였다. 원료 공급 지역의 온도, 주입되는 HCI과 $PH_{3}$의 몰분율 등 공정변수가 배경 불순물의 주입에 미치는 영향을 조사한 결과, 배경 전하 농도는 원료 공급지역의 온도가 감소 할수록 감소하고 HCl의 주입량이 증가할수록 감소하나 $PH_{3}$의 주입량에는 연구된 몰분율 범위 내에서 상대적으로 무관함을 알 수 있었다. 또한 FTPL spectrum 분석 결과 에피충 내부에 배 경 donor들과 acceptor들이 존재함을 얄 수 있었고 특히, Si donor들, Zn acceptor들, 확인되지 않은 acceptor들이 주된 불순물로 존재함을 알 수 있었다.

• BMB Reports
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• 제41권1호
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• pp.48-54
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• 2008

PM0188 is a newly identified sialyltransferase from P. multocida which transfers sialic acid from cytidine 5'-monophosphonuraminic acid (CMP-NeuAc) to an acceptor sugar. Although sialyltransferases are involved in important biological functions like cell-cell recognition, cell differentiation and receptor-ligand interactions, little is known about their catalytic mechanism. Here, we report the X-ray crystal structures of PM0188 in the presence of an acceptor sugar and a donor sugar analogue, revealing the precise mechanism of sialic acid transfer. Site-directed mutagenesis, kinetic assays, and structural analysis show that Asp141, His311, Glu338, Ser355 and Ser356 are important catalytic residues; Asp141 is especially crucial as it acts as a general base. These complex structures provide insights into the mechanism of sialyltransferases and the structure-based design of specific inhibitors.

• 한국추진공학회:학술대회논문집
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• 한국추진공학회 2010년도 제34회 춘계학술대회논문집
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• pp.217-225
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• 2010

격벽 착화 모듈은 도우너 화약이 폭발하면서 발생한 충격파가 격벽을 통해 억셉터 화약에 전달되었을 때 동작한다. 격벽 착화 모듈의 가장 중요한 설계 요소인 격벽의 최소 두께를 결정하기 위하여 구조해석을 수행한 결과 격벽의 두께가 0.1 mm 이상인 경우 구조적으로 충분한 마진이 있음을 확인하였다. 격벽의 적정 두께를 결정하기 위하여 VISAR 간섭계를 이용하여 억셉터 화약 충전면에서 자유 표면 속도를 계측하였다. 이 속도를 이용하여 충격 압력으로 환산하고 그 결과를 억셉터 화약의 반응 민감도와 비교함으로서 격벽 두께에 따른 격벽 착화 모듈의 작동 신뢰도를 계산하였다.

• 한국추진공학회지
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• 제14권4호
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• pp.16-24
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• 2010

격벽 착화 모듈은 도우너 화약이 폭발하면서 발생한 충격파가 격벽을 통해 억셉터 화약에 전달되었을 때 동작한다. 격벽 착화 모듈의 가장 중요한 설계 요소인 격벽의 최소 두께를 결정하기 위하여 구조해석을 수행한 결과 격벽의 두께가 0.1 mm 이상인 경우 구조적으로 충분한 마진이 있음을 확인하였다. 격벽의 적정 두께를 결정하기 위하여 VISAR 간섭계를 이용하여 억셉터 화약 충전면에서 자유 표면 속도를 계측하였다. 이 속도를 이용하여 충격 압력으로 환산하고 그 결과를 억셉터 화약의 반응 민감도와 비교함으로서 격벽 두께에 따른 격벽 착화 모듈의 작동 신뢰도를 계산하였다.