• Title/Summary/Keyword: molecular alignment

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Molecular interaction between SH3 domain of PACSIN2 and proline-rich motifs of Cobll1

  • Yoo, Hee-Seop;Seok, Seung-Hyeon;Kim, Ha-Neul;Kim, Ji-Hun;Seo, Min-Duk
    • Journal of the Korean Magnetic Resonance Society
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    • v.26 no.3
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    • pp.34-39
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    • 2022
  • The SH3 domain found within a variety of proteins is comprised of generally 60 residues, and participated in protein-protein interactions with proline-rich motifs. Cobll1 was identified as a distinct molecular marker associated with CML progression, and PACSIN2 was discovered a novel Cobll1 binding partner through direct interaction between a SH3 domain of PACSIN2 and three proline-rich motifs of Cobll1. To understand the structural basis of interactions between PACSIN2 and Cobll1, backbone assignments of PACSIN2 SH3 domain were performed. Furthermore, three proline-rich peptides of Cobll1 were titrated to 15N-labeled PACSIN2 SH3 domain in various ratios. Our chemical shift changes data and conserved SH3 sequence alignment will be helpful to analyze fundamental molecular basis related to the interaction between PACSIN2 and Cobll1.

Based on morphology and molecular data, Palisada rigida comb. nov. and Laurencia decussata comb. et stat. nov. (Rhodophyta, Rhodomelaceae) are proposed

  • Metti, Yola
    • ALGAE
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    • v.37 no.1
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    • pp.15-32
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    • 2022
  • Inspecting herbaria collections of Laurencia rigida highlighted frequent misidentifications between L. rigida and L. heteroclada f. decussata, two poorly studied taxa from Australia. Recent collections of DNA material, including from topotype material, allowed for re-examination of these two taxa using molecular techniques. Detailed morphological and molecular analyses based on two markers (rbcL and COI-5P) strongly supported these two taxa as being distinct from each other and requiring nomenclatural changes. Comprehensive morphological analyses highlighted features useful for accurate identifications. Interestingly, L. rigida was found to belong to the genus Palisada with evidence from both the morphology and molecular data. Therefore, this study proposed recognizing L. rigida as Palisada rigida comb. nov. Molecular data for L. heteroclada f. decussata on the other hand supported its separation from L. heteroclada, with too great a molecular distance to be considered a variety. Morphological characters that best separated P. rigida from L. decussata included seven characters; number of pericentral cells per vegetative axial segment, the presence of secondary pit connections, the presence of lenticular thickenings, tetrasporangia alignment, the presence of corps en cerise, holdfast morphology, and overall plant shape. Morphologically, L. heteroclada f. decussata was also separated from L. heteroclada, particularly by the following characteristics; ultimate branchlets morphologies, lower order branch lengths, primary axis and holdfast morphologies. Therefore, it was proposed that L. heteroclada f. decussata is recognized at a species level as L. decussata comb. et stat. nov.

Hologram Quantitative Structure Activity Relationship (HQSAR) Study of Mutagen X

  • Cho, Seung-Joo
    • Bulletin of the Korean Chemical Society
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    • v.26 no.1
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    • pp.85-90
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    • 2005
  • MX and its analogs are synthesized and modeled by quantitative structure activity relationship (QSAR) study including comparative molecular field analysis (CoMFA). As a result, factors affecting this class of compounds have been found to be steric and electrostatic effects. Because hologram quantitative structure activity relationship (HQSAR) technique is based on the 2-dimensional descriptors, this is free of ambiguity of conformational selection and molecular alignment. In this study we tried to include all the data available from the literature, and modeled with the HQSAR technique. Among the parameters affecting fragmentation, connectivity was the most important one for the whole compounds, giving good statistics. Considering additional parameters such as bond specification only slightly improved the model. Therefore connectivity has been found to be the most appropriate to explain the mutagenicity for this class of compounds.

An effcient algorithm for multiple sequence alignment (복수 염기서열 정렬을 위한 한 유용성 알고리즘)

  • Kim, Jin;Song, Min-Dong
    • Proceedings of the Korean Information Science Society Conference
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    • 1998.10c
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    • pp.51-53
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    • 1998
  • 3개 이상의 DNA 혹은 단백질의 염기서열을 정렬하는 복수 염기서열 정렬(multiple sequence alignment)방법은 염기서열들 사이의 진화관계, gene regulation, 단백질의 구조와 기능에 관한 연구에 필수적인 도구이다. 복수 염기서열 정렬문제는 NP-complete 문제군에 속하며, 이 문제를 해결하기 위하여 가장 유용하게 사용되는 알고리즘으로는 dynamic programming이 있다. Dynamic programming은 주어진 입력 염기서열 군들에 대한 최적의 정렬을 생산할 수 있다. 그러나 dynamic programming의 단점은 오랜 실행시간이 요구되며, 때로는 dynamic programming의 속성 때문에 이 알고리즘을 사용하여도 주어진 입력 염기서열 군들에 대한 최적의 정렬을 얻어내지 못하는 경우가 있다. 본 연구에서는 이러한 dynamic programming의 문제를 해결하기 위하여 genetic algorithm을 복수 염기서열 정렬문제에 적용하였다. 본 논문에서는 genetic algorithm의 design과 적용방법을 기술하였다. 본 연구에서 제안된 genetic algorithm을 사용하여 dynamic programming의 단점이었던 오랜 실행시간을 줄일 수 있었으며, dynamic programming이 제공하지 못하는 최적의 염기서열 정렬을 제공할 수 있었다.

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Enhancement of electro-optic performance in dyesensitized solar sell using homeotropically aligned liquid crystal molecular

  • Kim, Hyeon-Kyung;Jin, Sung-Ho;Lee, Gi-Dong
    • 한국정보디스플레이학회:학술대회논문집
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    • 2009.10a
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    • pp.1130-1132
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    • 2009
  • We propose a novel way for enhancement of efficiency on a quasi solid-state dye-sensitized solar cell (DSSC). It contained gel type electrolyte mixing the liquid crystal (LC) of specific concentration and applied voltage for alignment of the LC. Aligned LC is supported charge transfer inside electrolyte and efficiency is increased in DSSC. We made a quasi solid-state DSSC which applied DC voltage or not and have measured the power conversion efficiency (PCE) and the fill factor. From measurement, we obtain high performances in case of cell applied voltage compare to reference cell.

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Lyotropic Chromonic Liquid Crystals in Aligned Films for Applications as Polarizing Coatings

  • Schneider, Tod;Golovin, Andrii;Lee, Jong-Chan;Lavrentovich, Oleg D.
    • Journal of Information Display
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    • v.5 no.2
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    • pp.27-38
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    • 2004
  • We describe dried oriented films with anisotropic structural and optical properties prepared from the aqueous solutions of plank-like molecules, the so-called Lyotropic Chromonic Liquid Crystals (LCLCs). The dried LCLC films may be used as optical elements, such as polarizers, compensators, color filters, or retardation plates in the UV, visible, or infrared parts of spectrums. The optical quality of the films is determined by the uniformity of the molecular alignment, which often distorted by periodic variations of the director field. We describe different ways to improve the alignment properties of the films by using additives. We present compositions capable of polarizing effects in visible and UV parts of spectrum.

PDMS-based pixel-wall bonding technique for a flexible liquid crystal display (플렉서블 액정 디스플레이를 위한 PDMS 기반 pixel-wall bonding 기술)

  • Kim, Young-Hwan;Park, Hong-Gyu;Oh, Byeong-Yun;Kim, Byoung-Yong;Paek, Kyeong-Kap;Seo, Dae-Shik
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2008.04a
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    • pp.42-42
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    • 2008
  • Considerable attention has been focused on the applications of flexible liquid crystal (LC)-based displays because of their many potential advantages, such as portability, durability, light weight, thin packaging, flexibility, and low power consumption. To develop flexible LCDs that are capable of delivering high-quality moving images, like conventional glass-substrate LCDs, the LC device structure must have a stable alignment layer of LC molecules, concurrently support uniform cell gaps, and tightly bind two flexible substrates under external tension. However, stable LC molecular alignment has not been achieved because of the layerless LC alignment, and consequently high-quality images cannot be guaranteed. To solve these critical problems, we have proposed a PDMS pixel-wall based bonding method via the IB irradiation was developed for fasten the two substrates together strongly and maintain uniform cell gaps. The effect of the IB irradiation on PDMS with PI surface was also evaluated by side structure configuration and a result of x-ray photoelectron spectroscopic analysis of PDMS interlayer as a function of binder with substrates. large number of PDMS pixel-walls are tightly fastened to the surface of each flexible substrate and could maintain a constant cell gap between the LC molecules without using any other epoxy or polymer. To enhance the electro-optical performance of the LC device, we applied an alignment method that creates pretilt angle on the PI surface via ion beam irradiation. Using this approach, our flexible LCDs have a contrast ratio of 132:1 and a response time of about 15 ms, resulting in highly reliable electro-optical performance in the bent state, comparable to that of glass-substrate LCDs.

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Molecular Phylogenetic Study of Nesiohelix samarangae Based on CO-I Gene (동양달팽이 (Nesiohelix samarangae)의 CO-I 유전자를 이용한 분자계통학적 연구)

  • Bang, In Seok;Lee, Yong Seok
    • The Korean Journal of Malacology
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    • v.30 no.4
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    • pp.391-397
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    • 2014
  • Previously, we have reported expressed sequence tags (ESTs) analysis on the land snail, Nesiohelix samarangae (Ns). Of these ESTs, we have identified four partial fragments of N. samarangae cytochrome oxydase I (NsCO-I) gene which lead to obtain an 852 bp partial cDNA. Since NsCO-I is one of the best-known molecular phylogenetic markers, we have attempted to conduct comparative in silico analysis by using the NsCO-I gene. The combined results from BLAST analyses, multiple sequence alignment and molecular phylogenetic study of NsCO-I cDNA indicate that N. samarangae has similarity to three land snails such as Elona quimperiana, Euhadra herklotsi and Euhadra idzumonis.

First Molecular Characterization of Hypoderma actaeon in Cattle and Red Deer (Cervus elaphus) in Portugal

  • Ahmed, Haroon;Sousa, Sergio Ramalho;Simsek, Sami;Anastacio, Sofia;Kilinc, Seyma Gunyakti
    • Parasites, Hosts and Diseases
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    • v.55 no.6
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    • pp.653-658
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    • 2017
  • Hypoderma spp. larvae cause subcutaneous myiasis in several animal species. The objective of the present investigation was to identify and characterize morphologically and molecularly the larvae of Hypoderma spp. collected from cattle (Bos taurus taurus) and red deer (Cervus elaphus) in the district of Castelo Branco, Portugal. For this purpose, a total of 8 larvae were collected from cattle (n=2) and red deer (n=6). After morphological identification of Hypoderma spp. larvae, molecular characterization was based on PCR-RFLP and mitochondrial CO1 gene sequence analysis. All larvae were morphologically characterized as the third instar larvae (L3) of H. actaeon. Two restriction enzymes were used for molecular identification of the larvae. TaqI restriction enzyme was not able to cut H. actaeon. However, MboII restriction enzyme differentiated Hypoderma species showing 210 and 450 bp bands in H. actaeon. Furthermore, according to the alignment of the mt-CO1 gene sequences of Hypoderma species and to PCR-RFLP findings, all the identified Hypoderma larvae were confirmed as H. actaeon. This is the first report of identification of Hypoderma spp. (Diptera; Oestridae) from cattle and red deer in Portugal, based on morphological and molecular analyses.

Characterization of Binding Mode for Human Coagulation Factor XI (FXI) Inhibitors

  • Cho, Jae Eun;Kim, Jun Tae;Jung, Seo Hee;Kang, Nam Sook
    • Bulletin of the Korean Chemical Society
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    • v.34 no.4
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    • pp.1212-1220
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    • 2013
  • The human coagulation factor XI (FXI) is a serine protease that plays a significant role in blocking of the blood coagulation cascade as an attractive antithrombotic target. Selective inhibition of FXIa (an activated form of factor XI) disrupts the intrinsic coagulation pathway without affecting the extrinsic pathway or other coagulation factors such as FXa, FIIa, FVIIa. Furthermore, targeting the FXIa might significantly reduce the bleeding side effects and improve the safety index. This paper reports on a docking-based three dimensional quantitative structure activity relationship (3D-QSAR) study of the potent FXIa inhibitors, the chloro-phenyl tetrazole scaffold series, using comparative molecular field analysis (CoMFA) and comparative molecular similarity analysis (CoMSIA) methods. Due to the characterization of FXIa binding site, we classified the alignment of the known FXIa inhibitors into two groups according to the docked pose: S1-S2-S4 and S1-S1'-S2'. Consequently, highly predictive 3D-QSAR models of our result will provide insight for designing new potent FXIa inhibitors.