• 제목/요약/키워드: q-z models

검색결과 19건 처리시간 0.031초

Development of kNN QSAR Models for 3-Arylisoquinoline Antitumor Agents

  • Tropsha, Alexander;Golbraikh, Alexander;Cho, Won-Jea
    • Bulletin of the Korean Chemical Society
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    • 제32권7호
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    • pp.2397-2404
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    • 2011
  • Variable selection k nearest neighbor QSAR modeling approach was applied to a data set of 80 3-arylisoquinolines exhibiting cytotoxicity against human lung tumor cell line (A-549). All compounds were characterized with molecular topology descriptors calculated with the MolconnZ program. Seven compounds were randomly selected from the original dataset and used as an external validation set. The remaining subset of 73 compounds was divided into multiple training (56 to 61 compounds) and test (17 to 12 compounds) sets using a chemical diversity sampling method developed in this group. Highly predictive models characterized by the leave-one out cross-validated $R^2$ ($q^2$) values greater than 0.8 for the training sets and $R^2$ values greater than 0.7 for the test sets have been obtained. The robustness of models was confirmed by the Y-randomization test: all models built using training sets with randomly shuffled activities were characterized by low $q^2{\leq}0.26$ and $R^2{\leq}0.22$ for training and test sets, respectively. Twelve best models (with the highest values of both $q^2$ and $R^2$) predicted the activities of the external validation set of seven compounds with $R^2$ ranging from 0.71 to 0.93.

Breakthrough modeling of furfural sorption behavior in a bagasse fly ash packed bed

  • Singh, Saurabh;Srivastava, Vimal Chandra;Goyal, Akash;Mall, Indra Deo
    • Environmental Engineering Research
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    • 제25권1호
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    • pp.104-113
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    • 2020
  • Adsorptive breakthrough modelling is essential for design of a sorption packed bed. In this work, breakthrough modelling of the furfural uptake in bagasse fly ash (BFA) packed bed has been performed. Effect of various parameters like bed height (Z = 15-60 cm), flow rate (Q = 0.02-0.04 L/min) and initial furfural concentration (Co = 50-200 mg/L) on the breakthrough curve of furfural sorption in a BFA packed bed have been studied. Enhanced breakthrough performance was observed for the higher value of Z, and lower values of Co and Q. For Co = 100 mg/L, packed bed operated at Q = 0.03 L/min and Z = 60 cm was found to have lowest adsorbent utilization rate of 5.61 g/L with highest breakthrough volume of 14.67 L. Bed depth service time and Thomas models well represented the experimental data points under all experimental conditions. It can be concluded that BFA can be utilized efficiently in continuous system for the removal of furfural. Overall, more than 99% of furfural was adsorbed in BFA packed bed at experimental conditions.

지진 안전도 해석을 위한 Twisted Tripod 지지 구조를 갖는 풍력발전기의 말뚝-지반 상호작용 모델 평가 (Evaluation of Pile-Ground Interaction Models of Wind Turbine with Twisted Tripod Support Structure for Seismic Safety Analysis)

  • 박광연;박원석
    • 한국안전학회지
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    • 제33권1호
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    • pp.81-87
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    • 2018
  • The seismic response, the natural frequencies and the mode shapes of an offshore wind turbine with twisted tripod substructure subject to various pile-ground interactions are discussed in this paper. The acceleration responses of the tower head by four historical earthquakes are presented as the seismic response, while the other loads are assumed as ambient loads. For the pile-ground interactions, the fixed, linear and nonlinear models are employed to simulate the interactions and the p-y, t-z and Q-z curves are utilized for the linear and nonlinear models. The curves are designed for stiff, medium and soft clays, and thus, the seven types of the pile-ground interactions are used to compare the seismic response, the acceleration of the tower head. The mode shapes are similar to each other for all types of pile-ground interactions. The natural frequencies, however, are almost same for the three clay types of the linear model, while the natural frequency of the fixed support model is quite different from that of the linear interaction model. The wind turbine with the fixed support model has the biggest magnitude of acceleration. In addition, the nonlinear model is more sensitive to the stiffness of clay than the linear pile-ground interaction model.

PAR에 의한 강관 말뚝의 극한 수직 및 수평 지지력 예측 (Prediction on Ultimate Vertical and Horizontal Bearing Capacity of Steel Pipe Piles by Means of PAR)

  • 최용규
    • 한국지반공학회지:지반
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    • 제13권4호
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    • pp.13-24
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    • 1997
  • 말뚝 해석 프로그램인 PAR에 의하여 말뚝의 극한 수직 및 수평 지지력을 예측할 수 있는 방법을 제안하였으며,현장에서 수행된 말뚝재하시험 결과들을 이용하여 PAR에 의한 사례연구를 수행하였다. PAR에 의해 해석된 말뚝의 극한지지력은 정재하시험에서 구한 지지력에 대하여 약 15%이내의 오차범위에 들었다. 또한, 강관말뚝들에 수행된 정재하시헙, 정.동재하시험 그리고 PDA 결과들을 비교하였으며, PAR에 의해 극한지지력을 예측하였다. PAR을 이용하면 말뚝의 축방향 하중의 분포를 예측할 수 있었으며, 여기서, 하중전이해석도 근사적으로 수행할 수 있었다.

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신월빗물저류배수시설의 수직유입구 설계조건에 따른 유입특성 분석 연구 (A study on vertical inlet of inflow characteristics of the Shinwol rainwater storage & drainage system by design condition)

  • 박수호;오준오;박재현;박창근
    • 한국수자원학회논문집
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    • 제50권2호
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    • pp.129-138
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    • 2017
  • 대심도 저류 및 배수터널은 기 개발된 도시의 부족한 배수관망 능력을 보강하기 위하여 지하에 설치하는 대규모 도시홍수 배제 시설물로 원활한 홍수 유입을 위해 적정한 규모의 수직유입구가 요구되어진다. 접선형 수직유입구 설계 시 유입구의 능력을 평가하는 중요인자로 Yu and Lee(2009)가 지배유량개념을 소개하였는데, 본 연구에서는 서울시에 설치하고자 하는 신월빗물저류배수시설의 수직유입구 3개소를 대상으로 수리모형실험을 실시하고 제안된 지배유량 개념의 적정성을 평가하였다. 지배유량 이론식($Q_{cp}$)을 이용하여 실제 측정된 지배유량($Q_{cm}$)과 비교 분석하였는데, 그 결과 이론식 대비 66~69%로 이론식이 지배유량을 과대 산정하는 것으로 평가되었다. 지배유량 이론식의 과대산정 원인을 분석하기 위하여 Yu and Lee (2009)가 사용한 자료들과 본 연구에서 측정된 자료들을 활용하여 지배유량비($Q_{cm}/Q_{cp}$)를 3가지 영역으로 분류하고 각 인자에 대한 민감도 분석을 실시하였다. Yu and Lee (2009)가 제안한 지배유량식은 접선형 수직유입구 설계인자인 B, z, ${\beta}$, e/B에 대한 영향만 고려하였으나 ${\theta}$, L과 연계된 변수들로 복합적으로 고려하는 식의 개선이 필요한 것으로 판단된다.

Experimental test on bridge jointed twin-towered buildings to stochastic wind loads

  • Ni, Z.H.;He, C.K.;Xie, Z.N.;Shi, B.Q.;Chen, D.J.
    • Wind and Structures
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    • 제4권1호
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    • pp.63-72
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    • 2001
  • This paper presents results of a study on wind loads and wind induced dynamic response of bridge jointed twin-towered buildings. Utilizing the high-frequency force balance technique, the drag and moment coefficients measured in wind tunnel tests, and the maximum acceleration rms values on the top floor of towers, are analyzed to examine the influence of building's plan shapes and of intervals between towers. The alongwind, acrosswind and torsional modal force spectra are investigated for generic bridge jointed twin-towered building models which cover twin squares, twin rhombuses, twin triangles, twin triangles with sharp corners cut off, twin rectangles and individual rectangle with the same outline aspect ratio as the twin rectangles. The analysis of the statistical correlation among three components of the aerodynamic force corroborated that the correlation between acrosswind and torsional forces is significant for bridge jointed twin-towered buildings.

Kinetics and Thermodynamic Properties Related to the Adsorption of Copper and Zinc onto Zeolite Synthesized from Coal Fly Ash

  • Lee, Chang-Han;Ambrosia, Matthew Stanley
    • 한국환경과학회지
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    • 제22권10호
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    • pp.1327-1335
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    • 2013
  • Na-A zeolite (Z-Cl) was synthesized from coal fly ash, which is a byproduct of coal combustion for the generation of electricity. The adsorption of $Cu^{2+}$ and $Zn^{2+}ions$ onto Z-C1 was investigated via batch tests over a range of temperatures (303.15 to 323.15 K). The resultant experimental equilibrium data were compared to theoretical values calculated using model equations. With these results, the kinetics and equilibrium parameters of adsorption were calculated using Lagergren and Langmuir-Freundlich models. The adsorption kinetics revealed that the pseudo second-order kinetic mechanism is predominant. The maximum adsorption capacity ($q_{max}$) values were 139.0-197.9 mg $Zn^{2+}$/g and 75.0-105.1 mg $Cu^{2+}/g$. Calculation of the thermodynamic properties revealed that the absorption reactions for both $Cu^{2+}$ and $Zn^{2+}$ were spontaneous and endothermic. Collectively, these results suggest that the synthesized zeolite, Z-C1, can potentially be used as an adsorbent for metal ion recovery during the treatment of industrial wastewater at high temperatures.

한국형 고유모델 승용차 정책의 기적 -천부신조의 우리나라 자동차 산업- (Successful implimentation of the new automobile industry policy for korean model cars.)

  • Kim, Z.Q.
    • 한국정밀공학회지
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    • 제13권3호
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    • pp.26-30
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    • 1996
  • The successful development of the automobile industry in Korea is the firstfruit of the epochmaking automobile policy in 1973: Top-Down mass production of Korean model cars. In Top-Down system, indigenous model, which is the most important and difficult part of the automobile industry, is devised first, followed by the mass production of the major parts, such as bodies, engines, etc. This system is in contrast to the prevailing Bottom-up system in the third-world, which assembles automobiles by gradually adding up simple domestic parts. The Government, faced with a vicious circle of depen- dence on assembly of foreign cars, high prices, small demand and low production, decided it was time to move to the mass production of the indigenous models. It was hoped that the efficiencies of low cost Korean models would be epochally improved by overcoming the sway of foreign models and by strengthening the production capabilities of the main parts. In contrast to these develop- ment planning, assembled vehicles numbered only 26,300 units in 1973. In the year of 1995, the total number of automobile production have already passed 2,534,000. As steady growth in worldwide demand is forecast, Korea will able to play a major role as an important automobile maker of the next century.

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Wind tunnel modeling of flow over mountainous valley terrain

  • Li, C.G.;Chen, Z.Q.;Zhang, Z.T.;Cheung, J.C.K.
    • Wind and Structures
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    • 제13권3호
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    • pp.275-292
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    • 2010
  • Wind tunnel experiments were conducted to investigate the wind characteristics in the mountainous valley terrain with 4 simplified valley models and a 1:500 scale model of an existing valley terrain in the simulated atmospheric neutral boundary layer model. Measurements were focused on the mean wind flow and longitudinal turbulence intensity. The relationship between hillside slopes and the velocity speed-up effect were studied. By comparing the preliminary results obtained from the simplified valley model tests and the existing terrain model test, some fundamental information was obtained. The measured results indicate that it is inappropriate to describe the mean wind velocity profiles by a power law using the same roughness exponent along the span wise direction in the mountainous valley terrain. The speed-up effect and the significant change in wind direction of the mean flow were observed, which provide the information necessary for determining the design wind speed such as for a long-span bridge across the valley. The longitudinal turbulence intensity near the ground level is reduced due to the speed-up effect of the valley terrain. However, the local topographic features of a more complicated valley terrain may cause significant perturbation to the general wind field characteristics in the valley.

1차원 및 2차원 물리서식처 모형을 활용한 안동댐 하류하천의 환경생태유량 및 어류서식처 추정 (Estimation of ecological flow and fish habitats for AndongDam downstream using 1-D and 2-D physical habitat models)

  • 김용원;우소영;김수홍;이종진;김성준
    • 한국수자원학회:학술대회논문집
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    • 한국수자원학회 2022년도 학술발표회
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    • pp.53-53
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    • 2022
  • 본 연구는 낙동강 상류에 위치한 안동댐 하류(4,565.7 km2)를 대상으로 1차원 물리적 서식처모형인 PHABSIM(Physical Habitat Simulation System)과 2차원 물리적 서식처 모형인 River2D를 이용하여 대표어종인 피라미에 대해 환경생태유량과 어류서식처 면적을 산정하였다. 두 모형의 구축을 위해 낙동강 하천기본계획보고서(2009)를 수집하여 하천단면과 수리학적 자료를 두 서식처모형에 적용하였다. 유속과 수위자료의 경우, 낙동강수문조사연보와 검보정된 HEC-RAS를 활용하여 갈수량 Q355(10.95 m3/sec)와 평수량 Q185(41.72 m3/sec)에서의 유속과 수위를 생성하여 적용하였다. 대표어종 선정을 위해 총 4회에 걸쳐 현장조사를 진행하였으며, 수집한 어종들에 대해 상대풍부도와 출현 개체수 분석결과 54.2%의 상대풍부도와 총 110개의 개체수를 나타낸 피라미(Z acco platypus)를 대표어종으로 선정하였다. 서식처 적합도 지수 HSI(Habitat Suitability Index)는 피라미 출현시기의 수심(Depth), 유속(Velocity) 그리고 하상재료(Substrate)를 조사하여 적립하였으며 수심은 0.4~0.6 m, 유속은 0.3~0.5 m/s, 하상재료는 모래(2.0 mm)~잔자갈(16.0 mm)일 때 HSI가 가장 적합한 것으로 분석되었다. PHABSIM을 이용하여 피라미에 대해 최적 환경생태유량 산정결과 20.0 m3/sec로 산정되었고, 모의한 30개 유량에 대해 평균 어류서식처 면적은31,905.3 m2/1,000m로 산정되었다. PHABSIM으로 산정된 환경생태유량과 River2D를 이용하여 하천유량이 Q355와 환경생태유량일 때의 공간분석을 실시하였다. Q355와 비교하여 환경생태유량일 때 유속과 수심 HSI에 대한 공간분포와 어류서식처 면적 또한 더 큰 것으로 분석되었다.

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