• Title/Summary/Keyword: Co-orientation

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CoMFA and CoMSIA Study on Angiotensin-Converting Enzyme (ACE) Inhibitors: a Molecular Design of Potential Hypertensive Drugs

  • San Juan, Amor A.;Cho, Seung-Joo
    • Proceedings of the Korean Society for Bioinformatics Conference
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    • 2005.09a
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    • pp.249-255
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    • 2005
  • Angiotensin-converting enzyme (ACE) is primarily responsible for human hypertension. Current ACE drugs show serious cough and angiodema health problems due to the un-specific activity of the drug to ACE protein. The availability of ACE crystal structure (1UZF) provided the plausible biological orientation of inhibitors to ACE active site (C-domain). Three-dimensional quantitative structure-activity relationship (3D-QSAR) models have been constructed using the comparative molecula. field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) for a series of 28 ACE inhibitors. Alignment for CoMFA obtained by docking ligands to 1UZF protein using FlexX program showed better statistical model as compared to superposition of corresponding atoms. The statistical parameters indicate reasonable models for both CoMFA (q$^2$ = 0.530, r$^2$ = 0.998) and CoMSIA (q$^2$= 0.518, r$^2$ = 0.990). The 3D-QSAR analyses provide valuable information for the design of ACE inhibitors with potent activity towards C-domain of ACE. The group substitutions involving the phenyl ring and carbon chain at the propionyl and sulfonyl moieties of captopril are essential for specific activity to ACE.

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Magnetic Properties of Co-Cr Thin Films Deposited by FTS Method (FTS 방식으로 증착된 Co-Cr 박막의 자기적 특성)

  • Son, In-Hwan;Kim, Myung-Ho;Kong, Sok-Hyun;Kim, Kyung-Hwan;Nakagawa, S.;Naoe, M.
    • Proceedings of the KIEE Conference
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    • 1998.07d
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    • pp.1279-1281
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    • 1998
  • The Co-Cr thin films are one of the most suitable candidates for perpendicular magnetic recording media. The facing targets sputtering(FTS) method has a advantage of preparing films over a wide range of working gas pressure on plasma-free substrates. In this study, we investigated the possibility of employing FTS system for depositing Co-Cr films, Co-Cr thin films were deposited with continuously sputter gas pressure ($P_{Ar}$ = 0.1 mTorr) by FTS method at temperature of $40^{\circ}C$. We find that the change of thickness and deposition rate of sputtered Co-Cr thin films affect crystal orientation and magnetic properties. Crystallographic and magnetic properties were evaluated by x-ray diffractometry(XRD) and vibrating sample magnetometer(VSM) respectively. It has been confirmed that the FTS method is very useful for preparing Co-Cr thin film recording media.

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3D-QSAR Studies on Angiotensin-Converting Enzyme (ACE)Inhibitors: a Molecular Design in Hypertensive Agents

  • San Juan, Amor A.;Cho, Seung-Joo
    • Bulletin of the Korean Chemical Society
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    • v.26 no.6
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    • pp.952-958
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    • 2005
  • Angiotensin-converting enzyme (ACE) is known to be primarily responsible for hypertension. Threedimensional quantitative structure-activity relationship (3D-QSAR) models have been constructed using the comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) for a series of 28 ACE inhibitors. The availability of ACE crystal structure (1UZF) provided the plausible biological orientation of inhibitors to ACE active site (C-domain). Alignment for CoMFA obtained by docking ligands to 1UZF protein using FlexX program showed better statistical model as compared to superposition of corresponding atoms. The statistical parameters indicate reasonable models for both CoMFA ($q^2$ = 0.530, $r^2$ = 0.998) and CoMSIA ($q^2$ = 0.518, $r^2$ = 0.990). The 3D-QSAR analyses provide valuable information for the design of ACE inhibitors with potent activity towards C-domain of ACE. The group substitutions involving the phenyl ring and carbon chain at the propionyl and sulfonyl moieties of captopril are essential for better activity against ACE.

Prediction of a Fault Zone ahead of a Tunnel Face based on the Orientation of Displacement Vectors (변위벡터방향성을 이용한 터널 전방 단층대 예측에 관한 연구)

  • Kim, Kwang-Yeom;Yim, Sung-Bin;Kim, Jang-Kyeom;Seo, Yong-Seok;Kim, Jin-Woung
    • The Journal of Engineering Geology
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    • v.20 no.4
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    • pp.371-380
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    • 2010
  • A three-dimensional finite element analysis was performed to predict the location of a fault zone ahead of a tunnel face based on convergence displacement. Geometrical models for the numerical analysis were developed based on the possible geometric intersection between the fault zone and the tunnel. Fifteen fault models were generated from combinations of faults with five different strikes (at $15^{\circ}$ intervals) and three dips (vertical, $45^{\circ}$ and $-45^{\circ}$) relative to the tunnel route. The displacements on the crown and side walls were calculated and analyzed using a vector orientation approach. As a result, nine representative prediction charts were developed, showing location and orientation of the fault zone based on convergence displacement.

Effects of Orientation on Properties of Solid-State Extruded Polypropylene/Calcium Carbonate Composites (고상압출로 제조된 폴리프로필렌/탄산칼슘 복합재료의 물성에 미치는 배향의 영향)

  • Lee, Jaechoon;Ha, Chang-Sik
    • Journal of Adhesion and Interface
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    • v.14 no.4
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    • pp.175-182
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    • 2013
  • In this work, we aim to investigate the specific gravity, thermal, and mechanical property changes of solid-state extruded polypropylene (PP)/calcium carbonate composites before and after orientation. For this work, we prepared $PP/CaCO_3$ composites having two different sizes (OM-1 and OM-10). On increasing the filler content, the specific gravity of the composites increases. The specific gravity of the oriented specimen containing filler in PP matrix is found to be much smaller than that of pre-specimen due to the formation of more microvoids. The presence of microvoids in case of oriented composite specimen significantly affected the tensile and flexural properties of the composites. It was observed that the effect of orientation on both flexural strength and modulus is much stronger than the effect of filler contents, regardless of the filler particle size.

Semiempirical MO Study on Malonyl-CoA. 1. Malonic Acid and Malonyl Methyl Sulfide

  • Yu, In Gi;Kim, Yeong Ju;Kim, Si Chun;Kim, Yu Sam;Gang, Yeong Gi
    • Bulletin of the Korean Chemical Society
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    • v.16 no.2
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    • pp.112-120
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    • 1995
  • The conformational study on malonic acid, hydrogen malonate, malonate, malonyl methyl sulfide, and malonyl methyl sulfide anion, as the model compounds of malonyl-CoA, was carried out using the semiempirical MO methods (MNDO, AM1, and PM3) and hydration shell model. On the whole, the feasible conformations of malonic acid, hydrogen malonate, and malonate seem to be similar to each other. In malonic acid and malonate, two carboxyl groups are nearly perpendicular to the plane of the carbon skeleton, despite of different orientation of two carboxyl groups themselves. In particular, two carboxyl groups of hydrogen malonate are on the plane formed by carbon atoms with an intramolecular hydrogen bond. The calculated results on the geometry and conformation of three compounds are reasonably consistent with those of X-ray and spectroscopic experiments as well as the previous calculations. The orientation of two carbonyl groups of malonyl methyl sulfide is quite similar to that of malonic acid, but different from that of its anion. Especially, the computed probable conformations of the sulfide anion by the three methods are different from each other. The role of hydration seems not to be crucial in stabilizing the overall conformations of malonic acid, hydrogen malonate, malonate, and malonyl methyl sulfide. However, the probable conformations of the unhydrated sulfide anion obtained by the MNDO and AM1 methods become less stabilized by including hydration. The AM1 method seems to be appropriate for conformational study of malonyl-CoA and its model compounds because it does not result in the formation of too strong hydrogen bonds and significant change in conformational energy from one compound to another.

The Effects of Meta-cognition Strategy Task Training on Occupational Performance and High-Level Function of Chronic Stroke Patient with Cognitive Damage (인지손상을 동반한 만성 뇌졸중환자의 메타인지전략 과제훈련의 적용이 작업수행과 고위인지기능에 미치는 영향)

  • Han, Ga-ram;Kim, Gyu-Yong;Choi, Young-Eun;Ko, Tae-Sung
    • Journal of Korean Academy of Medicine & Therapy Science
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    • v.10 no.2
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    • pp.59-71
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    • 2018
  • Objective: The purpose of this study is to compare the effects of the CO-OP program using cognitive strategy on the satisfaction and high-level cognitive function of chronic stroke patients with cognitive impairment with the existing task-oriented approach training method. Method: The group randomly selects the experimental group and control group from 30 patients who suffer cognitive damage due to brain damage, and then randomly presents the Cognitive Orientation to daily Occupative Performance (CO-OP) Results: The results of the study showed a significant increase in patient performance and satisfaction, task performance, and high-level cognitive functions in comparison to those before training (p<).05) There was no significant difference in CNT testing in controls; Although there were no significant differences in overall CNT testing between the two groups, the COPM, AMPS tests showed a significant increase in the experimental group compared to the comparators (p <.05). Conclusion: The Cognitive Orientation to Daily Occupative Performance (CO-OP) Intervention Act, which uses meta-in strategies, was previously used. We were able to confirm that it could be a more effective intervention in task performance and high-level cognitive function than in the Meaningful Task-Specific Training Program (MTST).

2D-3D Pose Estimation using Multi-view Object Co-segmentation (다시점 객체 공분할을 이용한 2D-3D 물체 자세 추정)

  • Kim, Seong-heum;Bok, Yunsu;Kweon, In So
    • The Journal of Korea Robotics Society
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    • v.12 no.1
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    • pp.33-41
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    • 2017
  • We present a region-based approach for accurate pose estimation of small mechanical components. Our algorithm consists of two key phases: Multi-view object co-segmentation and pose estimation. In the first phase, we explain an automatic method to extract binary masks of a target object captured from multiple viewpoints. For initialization, we assume the target object is bounded by the convex volume of interest defined by a few user inputs. The co-segmented target object shares the same geometric representation in space, and has distinctive color models from those of the backgrounds. In the second phase, we retrieve a 3D model instance with correct upright orientation, and estimate a relative pose of the object observed from images. Our energy function, combining region and boundary terms for the proposed measures, maximizes the overlapping regions and boundaries between the multi-view co-segmentations and projected masks of the reference model. Based on high-quality co-segmentations consistent across all different viewpoints, our final results are accurate model indices and pose parameters of the extracted object. We demonstrate the effectiveness of the proposed method using various examples.

Properites of transparent conductive ZnO:Al film prepared by co-sputtering

  • Ma, Hong-Chan;Lee, Hee-Young
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2009.11a
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    • pp.106-106
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    • 2009
  • Al-doped ZnO (AZO) thin films were grown on glass substrates by co-sputtering at room temperature. We made ZnO and Al target and ZnO:Al film is deposited with sputter which has two RF gun source. The Al content was controlled by varying Al RF power and effect of Al contents on the properties of ZnO:Al film was investigated. Crystallinity and orientation of the ZnO:Al films were investigated by X-ray diffraction (XRD), surface morphology of the ZnO:Al films was observed by atomic force microscope. Electrical properties of the ZnO:Al films were measured at room temperature by van der Pauw method and hall measurement. Optrical properties of ZnO:Al films were measured by UV-vis-NIR spectrometer.

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The Dielectric Properties due to the Temperature and Applied Voltage of Oriented Polypropylene Film Irradiated by $^{60}/Co-${\gamma}$$ ($^{60}/Co-${\gamma}$$선으로 조사된 이축연신 폴리프로필렌 필림의 온도 및 전압에 따른 유전특성)

  • 홍진웅;이수원;김왕곤
    • Journal of the Korean Society of Safety
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    • v.9 no.1
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    • pp.48-55
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    • 1994
  • In this paper, It is studied that the variation of the dielectric absorption of the specimen according to the change with $^{60}$ Co-${\gamma}$ ray irradiation dose of the influence of temperature and applied voltage. In order to investigate the effect of irradiated oriented polypropylene film, we have observed dielectric properties within the temporature range of 30~130 ($^{\circ}C$) and voltage range of 100~250 (V). As for the dependency of temperature by tan $\delta$, the $\alpha$ peak which appears at high temperature increases accordingly to the increment of irradiation dose which is contributed by the crystal region and moves towards the high temperature. The $\beta$ peak which appears the orientation by dipoles and molecular motions in the amorphous region at low temperature. For the dependency of voltage by tan $\delta$ at low temperature, the peak of the tan $\delta$ shifts accordingly to the increment of irradiation dose towards the high temperature region.

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