• 제목/요약/키워드: alignments

검색결과 286건 처리시간 0.024초

3D-QSAR Studies on 2-(indol-5-yl)thiazole Derivatives as Xanthine Oxidase (XO) Inhibitors

  • Nagarajan, Santhosh Kumar;Madhavan, Thirumurthy
    • 통합자연과학논문집
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    • 제8권4호
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    • pp.258-266
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    • 2015
  • Xanthine Oxidase is an enzyme, which oxidizes hypoxanthine to xanthine, and xanthine to uric acid. It is widely distributed throughout various organs including the liver, gut, lung, kidney, heart, brain and plasma. It is involved in gout pathogenesis. In this study, we have performed Comparative Molecular Field Analysis (CoMFA) on a series of 2-(indol-5-yl) thiazole derivatives as xanthine oxidase (XO) inhibitors to identify the structural variations with their inhibitory activities. Ligand based CoMFA models were generated based on atom-by-atom matching alignment. In atom-by-atom matching, the bioactive conformation of highly active molecule 11 was generated using systematic search. Compounds were aligned using the bioactive conformation and it is used for model generation. Different CoMFA models were generated using different alignments and the best model yielded a cross-validated $q^2$ of 0.698 with five components and non-cross-validated correlation coefficient ($r^2$) of 0.992 with Fisher value as 236.431, and an estimated standard error of 0.068. The predictive ability of the best CoMFA models was found to be $r^2_{pred}$0.653. The CoMFA study revealed that the $R_3$ position of the structure is important in influencing the biological activity of the inhibitors. Electro positive groups and bulkier substituents in this position enhance the biological activity.

Computational Analysis of Apolipophorin-III in Hyphantria cunea

  • Chandrasekar R.;Dhanalakshmi R.;Krishnan M.;Kim H. J.;Jeong H. C.;Seo S. J.
    • International Journal of Industrial Entomology and Biomaterials
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    • 제10권1호
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    • pp.25-33
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    • 2005
  • Recently a cDNA clone of apoLp-III from Hyphantria cunea was isolated and subjected to computational analysis to compare with other available sequences. Multiple sequence alignments were carried out using the amino acid sequences of apoLp-III from six insects. It was found that the H. cunea apoLp-III has relatively high sequence identities to Spodoptera litura ($69.5\%$), Manduca sexta ($66.8\%$), Galleria mellonella ($65.1\%$), Bombyx mori N4 ($54.3\%$) but less identity to Locusta migratoria ($18.3\%$). The amino acid composition was compared with other insects using EXPASY tools; it shows that alanine (Ala), glutamine (Gln), leucine (Leu) and lysine (Lys) are the major amino acid components of apoLp-III in H. cunea as well as other lepidopterans. Homology modeling performed using PSI-BLAST (PDB template M. sexta) reveals that the apoLp-III molecules consist of five, long amphipathic alpha helical bundles with short loops connecting the helices and shows homology with other insects. Phylogenetic analysis shows that the orthopteran apoLp-III represented by locust was most distantly related to the lepidopteran insects.

자동 과속단속시스템의 효과 증진을 위한 설치 방안 연구 (A Study on the Installation of the Automated Speed Enforcement Camera for the Effectiveness)

  • 김용석;조원범
    • 대한교통학회지
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    • 제23권5호
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    • pp.35-45
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    • 2005
  • 자동 과속 단속 시스템은 중요한 교통사고 예방 대책의 하나이다. 운전자는 자동과속단속시스템 설치 지점 부근에서 속도를 감속하고 설치지점 통과 후 다시 가속한다. 따라서 단속의 목적을 둔 과속단속시스템은 충분한 안전 효과를 발휘하는데 한계가 있으며, 속도 관리 개념의 설치 방안이 마련될 필요가 있다 본 연구는 연속된 도로 구간을 주행하는 운전자의 주행속도 변화를 일정 범주 내로 유지시키는 도로 설계 일관성 개념을 과속단속시스템의 설치위치 선정에 적용하였다. 또한 과속단속시스템도 도로 곡선부 등 선형 요소와 마찬가지로 운전자의 주행속도를 변화시키는 설계 요소의 하나로 간주하고, 설계 일관성 개념 및 평가기준을 동일하게 적용한 설치 방안을 제안하였다.

정밀정형 냉간단조 기어성형을 위한 소재처리와 다이설계 (Billet Treatment and Die Design for Net-Shape Forming of Gear by Cold Forging)

  • 강경주;박훈재;윤주철;김정;강범수
    • 한국소성가공학회:학술대회논문집
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    • 한국소성가공학회 2004년도 춘계학술대회 논문집
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    • pp.87-90
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    • 2004
  • In this paper, net-shape forming of an automobile gear is investigated. Barrel, a component of automobile start motor, is adopted as a net-shape forming. In order to accomplish the goal of net-shape forming without cutting of tooth and cam after forming, forming ability is raised through billet treatment and die design. As a technique of billet treatment spheroidizing annealing of billet to get low hardness and molybdenum disulphide coating to get low contact friction between billet and die is carried out. One of critical points of die design, fillet radii variation of tooth of die is applied to get smooth surface of barrel after cold forging. As a measurement of tooth accuracy, distance between two pins and lead-tooth alignments are investigated. Cam profile accuracy is checked with a 3D measuring instrument. Results obtained from the tests revealed reasonable result with respect to design goal. By these results, the paper shows that reasonable results can be obtained by billet treatment and die design for net-shape forming.

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수직자기기록용 Co-Cr-Ta 박막의 자기적 성질에 대한 연구 (A study on the Magnetic Properties of Co-Cr-Ta Thin Films for Perpendicular Magnetic Recording)

  • 황충호;박용수;장평우;이택동
    • 한국자기학회지
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    • 제3권1호
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    • pp.41-47
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    • 1993
  • Co-Cr계 수직자기기록매체에서 비교적 낮은 기판온도에서 높은 보자력을 얻기위하여 제 3원소로서 Ta의 첨가효과에 대하여 연구하였다. Cr함량이 17-21 at.%로 다른 Co-Cr 계에 Ta함량을 3.2 at.%까지 첨가시켜서 여러조성의 Co-Cr-Ta 박막을 제조하고, 자기적 성질 및 미세구조를 조사하였다. Ta첨가로 인한 수직보자력의 향상효과는 Cr함량이 낮은 박막의 경우에 컸으며, 특히 기판온도가 $100^{\circ}C$인 경우 그 향상효과가 더욱 뚜렷하였다. Ta의 첨가로 인한 수직보자력 향상은 결정립 미세화나, c-축 배향성향상에 의한 것이기 보다는 비강자성원소의 편석이 심화됨에 기인하는 것으로 판단된다.

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투명교정장치의 임상적 한계와 그 해결 (Clinical limitations and its solutions of the clear overlay appliance treatment)

  • 배기선
    • 대한치과의사협회지
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    • 제54권7호
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    • pp.563-574
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    • 2016
  • A clear overlay appliance is a type of a removable appliance made from transparent thermoplastic plastic film that covers the entire dentition to move the teeth. It is one of the most favored orthodontic methods opted for by adult patients; this treatment is esthetic, does not cause discomfort and allows oral hygiene to be easily managed when compared to other conventional fixed treatment methods. However, the use of clear overlay appliances, such as invisalign or clear aligner, is associated with various clinical challenges. In particular, the appliances require longer treatment periods compared to fixed treatment, and due to the structural characteristics of the appliances, it is difficult to make proper posterior occlusion and certain type of tooth movement, including extrusion, rotation and tip. Thus, the clear overlay appliances are regarded as supplementary appliances by most orthodontists and have been used for simple orthodontic treatments, such as partial anterior alignments or orthodontic relapse cases. Owing to the remarkable advancement in the field of 3D digital technology over a period of 15 years, the accuracy and convenience of modern clear overlay appliances have continuously improved. Moreover, orthodontic outcomes have also been greatly improved by the introduction of new materials and successful application of various biomechanical methods from conventional orthodontic treatments in the design of clear overlay appliances. This study investigates the clinical limitations that should be considered during the application of clear overlay appliances and also examines the efforts and methods used to overcome these challenges.

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Characterization of a Xanthorhodopsin-homologue from the North Pole

  • Kim, Se Hwan;Cho, Jang-Cheon;Jung, Kwang-Hwan
    • Rapid Communication in Photoscience
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    • 제2권2호
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    • pp.60-63
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    • 2013
  • Rhodopsins belong to a family of membrane-embedded photoactive retinylidene proteins. One opsin gene was isolated from ${\beta}$-proteobacterium (IMCC9480) which had been collected at the North Pole. It is very similar to Xanthorhodopin (XR) of HTCC2181. In this study, we carried out basic characterization of the rhodopsin. It has ${\lambda}max$ of 536, 554, and 546 nm at pH 4.0, 7.0, and 10.0, respectively. Since the pKa of its proton acceptor is around 6.27, we measured its proton pumping activity and photocycling rate at pH 8.0. It has a typical proton acceptor (D99) and donor (E110) which mediate proton translocation from intracellular to extracellular region when deduced from the sequence alignments. On the basis of in vitro proton pumping activity, it was proposed to have fast photocycling rate with M and O intermediates, indicating that it is a typical ion-pumping rhodopsin. Since the XR has not yet been expressed in any other heterologous expression system, we tried to get much more information about the XR through the XR-homologue rhodopsin.

유리섬유가 충전된 공압출 목재.플라스틱 복합재의 굽힘 특성에 관한 연구 (A Study on the Flexural Property of Glass Fiber Filled Coextruded Wood Plastic Composites)

  • 김범준
    • 한국가구학회지
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    • 제24권4호
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    • pp.379-388
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    • 2013
  • In this study, the effect of various glass fiber (GF) contents in a shell layer and shell thickness changes on the flexural property of coextruded wood plastic composites (WPCs) in combination with three core systems (weak, moderate, and strong) was investigated. GF behaved as an effective reinforcement for the whole coextruded WPCs and GF alignments in the shell layer played an important role in determining the flexural property of the coextruded WPCs. At a given shell thickness, the flexural property of the whole coextruded WPCs was improved with the increase of GF content in shell. For core quality, when the core is weak, increase of GF content in shell led to improved flexural property of the whole composites and increase of shell thickness helped it. On the other hand, when the core is strong, the flexural property of the whole composites showed reduced features at low GF content in shell and increase of shell thickness aggravated it. This approach provides a method for optimizing performance of the coextruded WPCs with various combinations of core-shell structure and properties.

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유한요소해석을 이용한 디스크 커플링의 토크전달 능력에 대한 연구 (A Study on the Torque Transmitting Capability of a Disk Coupling by Finite Element Analysis)

  • 서원상;김성묵;김종봉
    • 한국정밀공학회지
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    • 제30권11호
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    • pp.1171-1177
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    • 2013
  • In this study, the torque transmitting capability of a flexible disk coupling was investigated. Flexible disc coupling is used to transmit power between two axes, and there exist mis-alignments such as angle of deviation and end play between two shafts. A disk is an important part in the flexible disk coupling because the disk has to transmit power between two mis-aligned shafts. To investigate the effect of mis-alignment on load carrying capacity, finite element analyses were carried out. Analyses were carried out for two types of disk; i.e., circular and square disks. The rotational and bending stiffness of disk plates was predicted to investigate the effect of mis-alignment on stress. As a result, it was shown that the mis-alignment can cause severe decrease in load-carrying capacity. And, the square disk showed better performance than the circular disk.

Differential expression of soybean SLTI100 gene encoding translation elongation factor 1A by abiotic stresses

  • Chung, Eun-Sook;Cho, Chang-Woo;So, Hyun-A;Yun, Bo-Hyun;Lee, Jai-Heon
    • Journal of Plant Biotechnology
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    • 제36권3호
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    • pp.255-260
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    • 2009
  • The translation elongation factor 1A, eEF1A, catalyzes the binding of aminoacyl-tRNA to the A-site of the ribosome by a GTP-dependent mechanism. By subtractive suppression hybridization technique, we have isolated a soybean low-temperature inducible gene, SLTI100 encoding translation elongation factor 1A. Multiple sequence alignments and phylogenic analysis showed that SLTI100 and other eEF1As originated from diverse organisms are highly conserved. RNA expression of SLTI100 was specifically induced by low temperature, high salt, ABA, or drought stress. Based on the subcellular localization of the corresponding gene product fused to GFP, we were able to confirm that SLTI100-GFP was restricted to the nucleus and cytoplasm. We propose that soybean eEF1A may play an important role in translational regulation during abiotic stress responses in plants.