• Title/Summary/Keyword: 2-D Field Analysis

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Molecular Docking, 3D QSAR and Designing of New Quinazolinone Analogues as DHFR Inhibitors

  • Yamini, L.;Kumari, K. Meena;Vijjulatha, M.
    • Bulletin of the Korean Chemical Society
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    • v.32 no.7
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    • pp.2433-2442
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    • 2011
  • The three dimensional quantitative structure activity relationship (3D QSAR) models were developed using Comparative molecular field analysis (CoMFA), comparative molecular similarity indices analysis (CoMSIA) and docking studies. The fit of Quinazolinone antifolates inside the active site of modeled bovine dihydrofolate reductase (DHFR) was assessed. Both ligand based (LB) and receptor based (RB) QSAR models were generated, these models showed good internal and external statistical reliability that is evident from the $q^2_{loo}$, $r^2_{ncv}$ and $r^2_{pred}$. The identified key features enabled us to design new Quinazolinone analogues as DHFR inhibitors. This study is a building bridge between docking studies of homology modeled bovine DHFR protein as well as ligand and target based 3D QSAR techniques of CoMFA and CoMSIA approaches.

3D-QSAR Analysis of Antidepressant, Tricyclic Isoxazole Analogues against para-Chloroamphetamine-induced Excitation (para-Chloroamphetamine에 유도된 흥분작용에 대한 항우울 약물 Tricyclic Isoxazole 유도체들의 3D-QSAR 분석)

  • Choi, Min-Sung;Sung, Nack-Do;Myung, Pyung-Keun
    • YAKHAK HOEJI
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    • v.55 no.2
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    • pp.91-97
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    • 2011
  • To search a new anti-depressant agents against para-chloroamphetamine-induced excitation, three dimensional quantitative-structure relationships (3D-QSAR) models between structure of 3a,4-dihydro-3H-[1]-benzopyronao[4,3]isoxazoles (1-30) and thieir inhibitory activity against para-chloroamphetamine-induced excitation were performed and discussed quantitatively using comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) methods. From these basis on the findings, the optimized CoMSIA-2F model ($q^2$=0.793 and $r^2$=0.952) showed the best statistical results. And also, it is found that the para-chloroamphetamine inhibitory activity from the optimized CoMSIA-2F model was dependent on steric field (35.2%) and electrostatic field (64.8%) of tricyclic isoxazoles. Particularly, it is predicted that the inhibitory activity against para-chloroamphetamine-induced excitation will be able to increase by the designed compounds from the CoMSIA-2F model.

Analysis of the axle load of an agricultural tractor during plow tillage and harrowing

  • Hong, Soon-Jung;Park, Seung-Je;Kim, Wan-Soo;Kim, Yong-Joo;Park, Seong-un
    • Korean Journal of Agricultural Science
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    • v.43 no.4
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    • pp.665-669
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    • 2016
  • Analysis of the load on the tractor during field operations is critical for the optimal design of the tractor. The purpose of this study was to do a load analysis of an agricultural tractor during plowing and harrowing. First, a load measurement system was developed and installed in a 71 kW agricultural tractor. Strain-gauges with a telemetry system were installed in the shaft located between the axles and the wheels, and used to measure the torque of the four driving axles. Second, field experiments were conducted for two types of field operations (plowing, harrowing), each at two gear levels (M2, M3). Third, load analysis was conducted according to field operation and gear level. At M2 gear selection for plowing, the maximum, minimum, and average (S. D.) torque values were 13,141 Nm; 4,381 Nm; and 6,971 Nm (${\pm}397.8Nm$, respectively). For harrowing, at M2 gear selection, torque values were, 14,504 Nm; 1,963 Nm; and 6,774 Nm (${\pm}459.4Nm$, respectively). At M3 gear selection for plowing, the maximum, minimum, and average (S. D.) torque values were,17,098 Nm; 6,275 Nm; and 8,509 Nm (${\pm}462.4Nm$, respectively). For harrowing at M3 gear selection, maximum, minimum, and average (S. D.) torque values were, 20,266 Nm; 2,745 Nm; and 9,968 Nm (${\pm}493.2$). The working speed of the tractor increased by approximately 143% when shifted from M2 (7.2 km/h) to M3 (10.3 km/h); while during plow tillage and harrowing, the load of the tractor increased approximately 1.2 times and 1.5 times, respectively.

R&D Planning for Enhancing the Technology Quality Focused on the Organic Agriculture Field (기술수준 향상을 위한 R&D기획에 대한 고찰 -유기농업 분야를 중심으로-)

  • Park, Jung-Kyu;Park, Yeong-Seon;Shin, Choong-Hoon
    • Korean Journal of Organic Agriculture
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    • v.20 no.2
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    • pp.109-124
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    • 2012
  • The purpose of this paper is to suggest policy implications on the R&D planning scope to acquire highly technology quality level and to show the necessity of differentiated strategy by each technology fields in organic agriculture field. To achieve this, we analyzed the determinants of excellent R&D performance using the patent bibliography information analysis based on the count data models. Through empirical analysis, we find out that the determinants are different from each technology field, and show that these determinants should be included in the scope of R&D planning.

3-D field distribution effect on HTS synchronous motor (고온초전도 동기모터의 3차원 자장 분포 영향)

  • Baik, S.K.;Sohn, M.H.;Lee, E.Y.;Kwon, W.S.;Jo, Y.S.;Kwon, Y.K.
    • Proceedings of the KIEE Conference
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    • 2003.07b
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    • pp.768-770
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    • 2003
  • A superconducting synchronous motor has different electromagnetic structure from the conventional machine. With the help of superconductor having much higher operating current density than normal conductor, superconducting motor can eliminate most of iron core filled inside of the conventional machine. This air-cored structure could be analysed and designed theoretically based on 2-dimensional(2-D) magnetic field distribution assuming that the windings are extended infinitely toward the axial direction. However, the actual structure of superconducting motor has the end regions interconnecting the straight parts of the same cross-section with the 2-D model. Therefore, this actual 3-D model has smaller field distribution than the 2-D model. In this paper, we consider the effect of the end regions on the output of a HTS model motor and suggest more accurate design approach through comparison of 2-D and 3-D magnetic field analysis results.

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Electromagnetic field and initial stress on a porothermoelastic medium

  • Abd-Elaziz, Elsayed M.
    • Structural Engineering and Mechanics
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    • v.78 no.1
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    • pp.1-13
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    • 2021
  • In this study, the porothermoelastic problem with the effect of the magnetic field and initial stress was investigated. We applied normal mode analysis to solve the resulting non-dimensional coupled equations. Numerical results for the displacements, temperature distribution, pore pressure, stresses, induced electric field and induced magnetic field distributions are presented graphically and discussed. The medium deformed because of thermal shock and due to the application of the magnetic field, there result an induced magnetic and an induced electric field in the medium. Numerical analyses are given graphically on the square (2D) and cubic (3D) domains to illustrate the effects of the porosity parameter, magnetic field and initial stress parameter on the physical variables.

Comparison of Central and Peripheral Refraction in Myopic Eyes after Corneal Refractive Surgery and Emmetropes (굴절교정수술을 받은 근시안과 정시안에서 중심부 및 주변부의 굴절력 비교)

  • Kim, Jeong-Mee;Lee, Koon-Ja
    • Journal of Korean Ophthalmic Optics Society
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    • v.20 no.2
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    • pp.157-165
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    • 2015
  • Purpose: To evaluate changes in central and peripheral refraction along the horizontal visual fields in myopic corneal refractive surgery group compared with emmetropes. Methods: One hundred twenty eyes of 60 subjects ($23.56{\pm}2.54$ years, range: 20 to 29) who underwent myopic refractive surgery and 40 eyes of 20 emmetropes ($22.50{\pm}1.74$ years, range: 20 to 25) were enrolled. The central and peripheral refractions were measured along the horizontal meridianat $5^{\circ}$, $10^{\circ}$, $15^{\circ}$, $20^{\circ}$, $25^{\circ}$ in the nasal and temporal areas using an open-field autorefractor. For analysis of post-op group, the group was classified by pre-op spherical equivalents of < -6.00 D and ${\geq}-6.00D$ as two post-op groups. Results: Pre-op spherical equivalent was $-4.56{\pm}0.92D$ (rang: -2.50 to -5.58 D) in post-op group 1, and $-7.09{\pm}0.96D$ (rang: -6.00 to -9.00 D) in post-op group 2. Spherical equivalent (M) in the emmetropes ranged from $-0.20{\pm}0.22D$ at center to $-0.64{\pm}0.83D$ at $25^{\circ}$ in the temporal visual field and to $-0.20{\pm}0.67D$ at $25^{\circ}$ in the nasal visual field; M in post-op group 1 ranged from $-0.16{\pm}0.29D$ at center to $-5.29{\pm}1.82D$ at $25^{\circ}$ in the temporal visual field and to $-4.48{\pm}1.88D$ at $25^{\circ}$ in the nasal visual field; M in post-op group 2 ranged from $-0.20{\pm}0.32D$ at center to $-7.98{\pm}2.08D$ at $25^{\circ}$ in the temporal visual field and to $-7.90{\pm}2.26D$ at $25^{\circ}$ in the nasal visual field. Among the three groups, there was no significant difference in M at central visual field (p=0.600) and at $5^{\circ}$ in the temporal visual field (p=0.647), whereas, there was significant difference in M at paracentral and peripheral visual field (p=0.000). Conclusions: Emmetropes had relatively constant refractive errors throughout the central and peripheral visual field and showed myopic peripheral defocus along the horizontal visual field. On the other hand, in myopic corneal refractive surgery group, there were significant differences in refractive errors between the central and peripheral visual field compared with differences in the central and peripheral refraction patterns of emmetropes.

3D-QSAR Analysis and Molecular Docking of Thiosemicarbazone Analogues as a Potent Tyrosinase Inhibitor

  • Park, Joon-Ho;Sung, Nack-Do
    • Bulletin of the Korean Chemical Society
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    • v.32 no.4
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    • pp.1241-1248
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    • 2011
  • Three dimensional quantitative structure-activity relationships (3D-QSARs) between new thiosemicarbazone analogues (1-31) as a substrate molecule and their inhibitory activity against tyrosinase as a receptor were performed and discussed quantitatively using CoMFA (comparative molecular field analysis) and CoMSIA (comparative molecular similarity indices analysis) methods. According to the optimized CoMSIA 2 model obtained from the above procedure, inhibitory activities were mainly dependent upon H-bond acceptor favored field (36.5%) of substrate molecules. The optimized CoMSIA 2 model, with the sensitivity of the perturbation and the prediction, produced by a progressive scrambling analysis was not dependent on chance correlation. From molecular docking studies, it is supposed that the inhibitory activation of the substrate molecules against tyrosinase (PDB code: 1WX2) would not take place via uncompetitive inhibition forming a chelate between copper atoms in the active site of tyrosinase and thiosemicarbazone moieties of the substrate molecules, but via competitive inhibition based on H-bonding.

1D Probabilistic Ground Response Analysis (지반 구조의 불확실성이 고려된 1차원 확률론적 지반응답해석)

  • Hwang, Hea Jin;Park, Hyung Choon
    • Journal of the Earthquake Engineering Society of Korea
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    • v.18 no.2
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    • pp.73-78
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    • 2014
  • In this paper, the stochastic 1D site response analysis method using Monte Carlo simulation and considering thespatial variation of shear wave velocity profile isproposed. To consider thespatial variation of shear wave velocity profile for 1D site response analysis, the proposed method generates random shear wave velocity profiles representing the target site, and Monte Carlo simulation is used to calculate theprobability distribution of the site response analysis results such as thepeak ground acceleration. Through the field application, The applicability of the proposed method is verified through field application.

A Trend Study on 2D to 3D Video Conversion Technology using Analysis of Patent Data (특허 분석을 통한 2D to 3D 영상 데이터 변환 기술 동향 연구)

  • Kang, Michael M.;Lee, Wookey;Lee, Rich. C.
    • Journal of Information Technology and Architecture
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    • v.11 no.4
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    • pp.495-504
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    • 2014
  • This paper present a strategy of intellectual property acquisition and core technology development direction using analysis of 2D to 3D video conversion technology patent data. As a result of analysis of trends in patent 2D to 3D technology, it is very promising technology field. Using a strategic patent map using research of patent trend, you will keep ahead of the competition in 2D3D image data conversion market.