• Title/Summary/Keyword: chemical information

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Backbone NMR chemical shift assignment of transthyretin

  • Kim, Bokyung;Kim, Jin Hae
    • Journal of the Korean Magnetic Resonance Society
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    • v.25 no.1
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    • pp.8-11
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    • 2021
  • Transthyretin (TTR) is an important transporter protein for thyroxine (T4) and a holo-retinol protein in human. In its native state, TTR forms a tetrameric complex to construct the hydrophobic binding pocket for T4. On the other hand, this protein is also infamous for its amyloidogenic propensity, which causes various human diseases, such as senile systemic amyloidosis and familial amyloid polyneuropathy/cardiomyopathy. In this work, to investigate various structural features of TTR with solution-state nuclear magnetic resonance (NMR) spectroscopy, we conducted backbone NMR signal assignments. Except the N-terminal two residues and prolines, backbone 1H-15N signals of all residues were successfully assigned with additional chemical shift information of 13CO, 13Cα, and 13Cβ for most residues. The chemical shift information reported here will become an important basis for subsequent structural and functional studies of TTR.

Design and Implementation of Simulator for Batch adsorption process (회분식 흡착공정을 위한 시뮬레이터의 설계 및 구현)

  • Choi, Jung-Min;Lim, Young-Il
    • Proceedings of the Korea Information Processing Society Conference
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    • 2007.05a
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    • pp.661-664
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    • 2007
  • 본 논문은 화학분리공정 중의 하나인 회분식 흡착공정의 시뮬레이션 방법에 관한 것으로, 편미분방정식을 이용한 회분식 흡착공정 시뮬레이션 방법에 있어서, 편미분방정식 해석기법인 CE/SE 방법(Conservation element and Solution element method)을 사용하여 흡착공정의 모델식을 수치해석하고, 이를 그래픽 사용자 인터페이스(Graphical User Interface) 방식에 의한 사용자편이성이 구현된 회분식 흡착공정 시뮬레이터의 설계와 구현에 관한 것이다. 본 연구를 통하여 공정모델선택 과정에서부터 시뮬레이션 결과의 시각화를 포함하는 결과 처리 과정까지의 작업을 사용자가 독립된 하나의 통합된 환경에서 회분식 흡착공정을 편리하게 시뮬레이션 할 수 있으며, 빠른 시간 안에 정확한 수치해를 구할 수 있게 되었다.

Toxicoinformatics: The Master Key for Toxicogenomics

  • Lee, Wan-Sun;Kim, Yang-Seok
    • Molecular & Cellular Toxicology
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    • v.1 no.1
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    • pp.13-16
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    • 2005
  • The current vision of toxicogenomics is the development of methods or platforms to predict toxicity of un characterized chemicals by using '-omics' information in pre-clinical stage. Because each chemical has different ADME (absorption, distribution, mechanism, excretion) and experimental animals have lots of variation, precise prediction of chemical's toxicity based on '-omics' information and toxicity data of known chemicals is very difficult problem. So, the importance of bioinformatics is more emphasized on toxicogenomics than other functional genomics studies because these problems can not be solved only with experiments. Thus, toxicoinformatics covers all information-based analytical methods from gene expression (bioinformatics) to chemical structures (cheminformatics) and it also deals with the integration of wide range of experimental data for further extensive analyses. In this review, the overall strategy to toxicoinformatics is discussed.

Novel Synthesis of Hydrophilic Dipolar Chromophores using Dendronized Sulfonates

  • Kim, Mi-Rae;Maheswara, Muchchintala;Do, Jung-Yun
    • Bulletin of the Korean Chemical Society
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    • v.32 no.2
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    • pp.664-672
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    • 2011
  • A series of hydrophilic chromophores was synthesized through introduction of dendritic sulfonate anions using click chemistry. A dendron structure bearing several sulfonate groups enhances hydrophilicity of attached chromophores. A click triazole formation connects chromophores with hydrophilic groups. A neutral trichloroethyl sulfonate has versatile features such as easy introduction, chemical endurance for isolation or storage, and convenient transformation to a hydrophilic anion. Zinc and OH mediated cleavage of trichloroethyl group from the neutral sulfonate undergoes to generate a water-soluble sulfonate anion. The solubility was examined with different counter cations and in different pH media and thus increased with the number of attached sulfonate ion. Two hydrophilic chromophores of stilbene-derived and azobenzene-derived dipolar structures exhibit clear negative and positive solvatochromism in protic solvents, respectively.

Short Term Sensor's Drift Analysis and Compensation Using Internal Normalization (내부 최적화를 이용한 화학 센서의 단기 드리프트 분석 및 보정)

  • Jeon, Jin-Young;Baek, Jong-Hyun;Byun, Hyung-Gi
    • Journal of Sensor Science and Technology
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    • v.24 no.4
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    • pp.270-273
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    • 2015
  • One of the main problems when working the chemical sensor is the lack of repeatability and reproducibility of the sensor response. If the problem is not properly taken into consideration, the stability and reliability of the system using chemical sensors would be decreased. In this paper we analyzed the sensor's drift of short term and proposed a compensation method for reducing the effects of the drift in order to improve the stability and the reliability of the chemical sensor. The sensor drift was analyzed by a trend line graph and CV(coefficient of variation) was used to quantify. And we compensated for the drift by using the internal normalization. As a result it was found that the value of CV was decreased after compensation.

Optical invariants of LCD 'splay' retardation films

  • Belyaev, S.V.;Malimonenko, N.V.;Yu, J.S.
    • 한국정보디스플레이학회:학술대회논문집
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    • 2002.08a
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    • pp.433-436
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    • 2002
  • Retardation liquid crystal films with a profiled titled optic axis (splay films) of both nematic and discotic types are used as compensation films for twisted nematic displays (TN-LCD). A new method is developed to characterize retardation vs. inclination (retardation profile) of splay films by three parameters: "full retardation" $d^{\ast}{\triangle}n$, "inplane retardation" $R_0$ and "retardation difference" $R_d$ . Splay films with the same retardation profile but with different tilt profile (retardation invariants) are discovered. Splay films with different structure parameters but belong to the same retardation invariant have the same compensation opportunities for TN-LCD.

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Low-Temperature Processable Polyimide Gate Insulator and Hybridization Approach for High Performance Pentacene Thin Film Transistor

  • Ahn, Taek;Kim, Jin-Woo;Yi, Mi-Hye
    • 한국정보디스플레이학회:학술대회논문집
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    • 2007.08a
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    • pp.871-874
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    • 2007
  • We have synthesized a novel fully soluble and low-temperature processable polyimide gate insulator (KSPI) through one-step condensation polymerization. For the preparation of KSPI, 5- (2,5-dioxytetrahydrofuryl)-3-methly-3-cyclohexene- 1,2-dicarboxylic anhydride (DOCDA) and 4,4- diaminodiphenylmethane (MDA) were used as monomers and fully imidized KSPI was completely soluble in organic solvents like ${\gamma}-butyrolactone$ and 2-butoxyethanol, etc.

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A Study on the Contribution to reducing Chemical Accident of Joint Inter-agency Chemical Emergency Preparedness Center (화학재난합동방재센터 운영을 통한 화학사고 감소 기여도 연구)

  • Kim, Sungbum;Kwak, Daehoon;Jeon, Jeonghyeon;Jeong, Seongkyeong
    • Journal of the Society of Disaster Information
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    • v.14 no.3
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    • pp.360-366
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    • 2018
  • Purpose: This study operation of Joint inter-agency Chemical Emergency Preparedness Center and contribute to the reduction of chemical accidents that occur continuously. Method: The Joint inter-agency Chemical Emergency Preparedness Center functions and Chemical accident statistics data of the ('13~'17) were utilized. Results: The number of chemical accidents is decreasing from 113 in '15, 78 in '16, 87 in '17(latest five years 469 chemical accidents). The Joint inter-agency Chemical Emergency Preparedness Center is located in the industrial complex that handling a large amount of chemical, and performs functions such as prompt response, probation & investigation, accident prevention training, safety patrol. It is believed that it contributes to the decreasing of chemical accident by local control accident prevention function. Conclusion: Decreasing the safety management according to the Chemicals control act('15.1.1). The Joint inter-agency Chemical Emergency Preparedness Center('14.1 set up manage organization), which is operated as a mission to prepare respond to chemical accidents, plays a role.