• Title/Summary/Keyword: Quantitative parameter

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Comparative Molecular Field Analysis (CoMFA) and Comparative Molecular Similarity Index Analysis (CoMSIA) Study of Mutagen X

  • Bang, Soo-Jin;Cho, Seung-Joo
    • Bulletin of the Korean Chemical Society
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    • v.25 no.10
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    • pp.1525-1530
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    • 2004
  • Mutagen X (MX) exists in our drinking water as the bi-products of chlorine disinfection. Being one of the most potent mutagen, it attracted much attention from many researchers. MX and its analogs are synthesized and modeled by quantitative structure activity relationship (QSAR) methods. As a result, factors affecting this class of compounds have been found to be steric and electrostatic effects. We tried to collect all the data available from the literature. With both CoMFA and CoMSIA various combinations of physiochemical parameters were systematically studied to produce reasonable 3-dimensional models. The best model for CoMFA gave $q^2$ = 0.90 and $r^2$ = 0.97, while for CoMSIA $q^2$ = 0.85 and $r^2$ = 0.94. So the models seem to be reasonable. Unlike previous result of CoMFA, in our case steric parameter alone gave the best statistics. Although the steric contribution was found to be the most important in both CoMFA and CoMSIA, steric parameter along with electrostatic parameter produced slightly better model in CoMSIA. Overall, steric contribution is clearly the most important single factor. However, when we compare chlorine and bromine substitution, chlorine substitution can be more mutagenic. This indicates that other factors such as electrostatic effect also influence the mutagenicity. From the contour maps, steric contribution seems to be focused on rather small area near C6 substituent of the furanone ring, rather than C3 substituent. Therefore the locality of steric contribution can play a significant role in mutagenicity.

A Study on the Fracture Behavior of a Crack in 9% Ni Steel Considering Constraint Effect (구속효과를 고려한 9% Ni강 균열의 파괴거동 해석에 관한 연구)

  • Kim, Young Kyun;Yoon, Ihn soo;Kim, Jae Hoon
    • Journal of the Korean Institute of Gas
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    • v.25 no.6
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    • pp.14-21
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    • 2021
  • Inner shell material of LNG storage tanks that store ultra-low temperature LNG at -162℃ requires structural integrity assessment of a crack-like defect. From the viewpoint of conventional fracture mechanics, the assessment has mainly performed by single parameter using stress intensity factor K, J-integral and CTOD. However, the stresses in a material of crack tip are not unique caused by constraint loss due to size and geometry of the structure. Various attempts have been made to complement a single parameter fracture mechanics, typically with Q-stress. In this paper, we have performed a two-parameter approach by deriving the Q-stress coupling with J-integral suitable for the evaluation of the crack tip stress field in the non-linear elastic region. A quantitative evaluation of the constraint effect has performed by using the J-Q approach. It was evaluated that the SENB type specimen had a crack ratio of 0.1 to 0.7 and the wide type specimen had a crack ratio of 0.2 to 0.6.

A Study of Dopamine Transporter Imaging and Comparison of Noninvasive Simplified Quantitative Methods in Normal Controls and Parkinson's Patients ([I-123]IPT SPECT를 이용한 정상인과 파킨슨 환자의 도파민 운반체의 영상화 및 단순화된 정량분석 방법들의 비교연구)

  • Bong, Jung-Kyun;Kim, Hee-Joung;Im, Joo-Hyuck;Yang, Seoung-Oh;Moon, Dae-Hyuk;Ryu, Jin-Sook;Nam, Ki-Pyo;Cheon, Jun-Hong;Kwon, Soo-Il;Lee, Hee-Kyung
    • The Korean Journal of Nuclear Medicine
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    • v.30 no.3
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    • pp.315-324
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    • 1996
  • The purpose of this study was to compare the specific binding ratio method with model-based methods in estimating the transporter parameter $k_3/k_4$ in normal controls and Parkinson's patients with [I-123]IPT SPECT and to evaluate the usefulness of [I-123]IPT SPECT. $6.5{\pm}1.1$ mCi ($239.0{\pm}40.3$ MBq) of [$^{123}I$]IPT was intravenouly injected as a bolus into six normal controls(age:$45{\pm}13$) and seventeen patients(age:$55{\pm}8$) with Pakinson's disease(PD). The transporter parameter $k_3/k_4$ was derived using the Ichise's graphical method($R_v$) and Lassen's area ratio method($R_A$) for the dynamic IPT SPECT data without blood samples. Then, the relationships between the transporter parameter $R-v,\;R_A$ and the ratio of (BG-OCC)/OCC at 115 minutes were evaluated by linear regression analysis. $R_vs$ by Ichise's graphical method for NC and PD were $2.08{\pm}0.29$ and $0.78{\pm}0.31$, respectively. $R_As$ by Lassen's area ratio method for NC and PD were $1.48{\pm}0.16$ and $0.65{\pm}0.24$, respectively. The correlation coefficients between (BG-OCC)/OCC and $R_v$, (BG-OCC)/OCC and $R_A$, and $R_v$ and $R_A$ were 0.93, 0.90, 0.99 and their corresponding slopes were 0.54, 0.34, and 0.65, respectively. The $R_v$ and $R_A$ of NC were significantly higher than the ones of PD. That is, the $k_3/k_4$ of NC was clearly separated from the one of PD. $k_3/k_4$ showed a good correlation with the ratio of (BG-OCC)/OCC. The results indicate that the noninvasive simplified quantitative methods may be useful to measure the transporter parameter $k_3/k_4$ and the specific binding ratio method can be used for quantitative studies of dopamine transporter with [I-123]IPT SPECT in humans brains.

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Evaluation of the Product Quality According to Intermesh of the Roller Straightening Process of Steel Cord (스틸코드 롤러교정공정의 압하량에 따른 교정도 평가)

  • Bae, G.H.;Lee, J.S.;Huh, H.;Lee, J.W.;Lee, B.H.
    • Proceedings of the Korean Society for Technology of Plasticity Conference
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    • 2009.10a
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    • pp.271-274
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    • 2009
  • This paper deals with an evaluation of the product quality according to intermesh of the roller straightening process of a steel cord. To perform the experiments, a single-layered steel cord with three wires is selected as a target. Intermeshes at inlet and outlet of the roller straightening device are selected as a respective design parameter. According to two intermeshes of the roller straightening device, a design table is generated and experiments were performed. Three assessment items of the product quality, such as the residual torsion, the arc-height and the pre-forming ratio, are measured in each experimental case for the quantitative evaluation of a steel cord. Based on the measured data, the sensitivity of two intermeshes was analyzed and the prediction equation for the product quality of a steel cord was also constructed from the regression analysis.

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Quantitative Estimation of Surface Roughness Affecting the Fatigue Limit (피로한도(疲勞限度)에 영향을 미치는 표면(表面)거칠기의 정량적 평가)

  • Kim, Jin-Hak;Kim, Min-Gun
    • Journal of Industrial Technology
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    • v.17
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    • pp.5-10
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    • 1997
  • Fatigue tests were performed to investigate how much vary the fatigue limit under the different surface conditions on Carbon Steel(SM55C). Four types of specimen which have different surface roughness each other, Series A by turning, Series B by grinding, Series C by polishing and Series D by roller finishing showed the fatigue limit of 265, 320, 335 and 365MPa, respectively. Series D show 36% higher than Series A, which is caused by compressive residential stress on the surface. Therefore, roller finishing machining is helpful not only increase the fatigue limit but also improve the surface roughness. Moreover, to predict the fatigue limit under the conditions of knowing surface roughness and hardness of specimen, ${\sqrt{area}}$ area parameter method is very useful.

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Analysis of Fracture Mechanics Parameter and Fracture Surface in Bonded Ceramic Joints (세라믹 접합부재에 대한 파괴역학인자 및 파면 해석)

  • 김기성
    • Proceedings of the Korean Society of Machine Tool Engineers Conference
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    • 1997.04a
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    • pp.156-163
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    • 1997
  • Recently, attempts have been made to be join ceramics to metals in order to make up for the brittleness of ceramics. The difference in the coefficients of linear expansion of the two materials joined at high temperature will cause residual stress, which has a strong influence on the strength of the bonded joints. In this paper, the residual stress distribution and stress intensity factors of the ceramic/metal bonded joints were analyzed by 2-dimensional elastic boundary element method. Fracture toughness tests of ceramic/metal bonded joints with an interface crack were carried out. So the advanced method of quantitative strength evaluation for ceramic/metal bonded joints is to be suggested. Fracture surface and crack propagation path were observed using scanning electron microscope.

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A Study on the Damaging Distance and the Explosion Effect by the LPG Release (LPG 누출시 피해거리 및 폭발영향에 관한 연구)

  • 이경덕;신창섭
    • Journal of the Korean Society of Safety
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    • v.14 no.2
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    • pp.109-115
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    • 1999
  • The release of gas from the LPG storage tank by the rupture or leakage can occure explosion and this causes serious damage to people and structures. In this study, the explosion effect and damaging distance were measured for the LPG cloud explosion to perform the quantitative risk assessment for the PSM, and the effective parameters on the explosion were found. The gas dispersion and mass contaminant in the explosion limits were calculated by using DEGADIS, and it was converted to TNT equivalency and damaging distance. As a result, the wind speed was the most effective parameter on the diffusion rate and TNT equivalency, and the damaging distance were increased with decrease of wind speed and surface roughness.

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Comparative Analysis of Commercial Softwares for Wind Climate Data Analysis (풍력자원 계측자료 분석용 상용 소프트웨어 비교분석)

  • Kim, Hyun-Goo
    • New & Renewable Energy
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    • v.6 no.2
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    • pp.5-11
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    • 2010
  • This paper reviews three commercial softwares for wind climate data analysis in wind resource assessment; WAsP/Observed Wind Climate, WindRose and Windographer. Windographer is evaluated as the best software because of its variety of input data format, analysis functions, easiness of user interface, etc. For a quantitative understanding of uncertainty depending on software selection, a benchmark is carried out with the met-mast observation dataset at the Gimnyeong Wind Turbine Performance Test Site. It is found that Weibull parameter calculation and air density correction have a dependency on the software so that such uncertainty should be considered when an analysis software is selected. It is confirmed that annual energy production calculated by WAsP using a statistical table of frequency of occurrence may have some error compared to a time-series calculation method used by the other softwares.

Distribution Characteristics of Wear Particles from Material of Machine Elements in Lubricant condition (윤활조건에 따른 기계부품용 소재에서 발생된 마멸입자의 분포 특성)

  • Cho, Yon-Sang;Jun, Sung-Jae;Kim, Young-Hee;Park, Heung-Sik
    • Proceedings of the KSME Conference
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    • 2007.05a
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    • pp.1607-1612
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    • 2007
  • It necessarily follows that wear particles are generated through a friction and wear in a mechanical moving system. The wear particles are relative to the failure and the life of machine elements directly. To analyze the wear particle, its shape characteristics were calculated quantitative values such as diameter, roundness and fractal parameters by digital image processing. In this study, the histograms of shape parameters of wear particles were used for the purpose of analyzing the distribution of wear particles in various conditions. We consider that the histogram of shape parameter can be effectively represented to study a wear mechanism.

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Morphological Analysis of Wear Particles in the Lubricating Oil with Additives (유성제 및 극압 첨가제에 따른 마멸입자 형상해석)

  • 이충엽;조연상;서영백;박흥식;전태옥
    • Tribology and Lubricants
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    • v.14 no.4
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    • pp.79-87
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    • 1998
  • Morphological analysis of wear particles in the lubricating oil is a very effective and versatile means of lubricant analysis for machine condition monitoring and fault diagnosis. The prospects for determining quantitative information about wear particle morphology have been considerably enhanced by recent developments reported in the application of image processing and analysis techniques. This study was undertaken to investigate the influence of oiliness agent and extreme pressure agent on the shape of wear particles. The wear test was performed under different experimental conditions with stearic acid, dibenzyl disulfide(DBDS) and tricresol phosphate(TCP) in paraffinic base oil. Wear particles characteristics were described using four shape parameters, namely 50% volumetric diameter, aspect, roundness and reflectivity. The results showed that the four shape parameters of wear particles depend on a kind of the additives. This analysis of wear debris with computer image processing techniques is sufficient to distinguish some types of wear debris. The wear volume of three kinds of the specimens are affected by the additives with boundary films.