• 제목/요약/키워드: structure determination

검색결과 1,003건 처리시간 0.029초

Structure Determination of Syndecan-4 Transmembrane Domain using PISA Wheel Pattern and Molecular Dynamics simulation

  • Choi, Sung-Sub;Jeong, Ji-Ho;Kim, Ji-Sun;Kim, Yongae
    • 한국자기공명학회논문지
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    • 제18권2호
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    • pp.58-62
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    • 2014
  • Human transmembrane proteins (hTMPs) are closely related to transport, channel formation, signaling, cell to cell interaction, so they are the crucial target of modern medicinal drugs. In order to study the structure and function of these hTMPs, it is important to prepare reasonable amounts of proteins. However, their preparation is seriously difficult and time-consuming due to insufficient yields and low solubility of hTMPs. We tried to produce large amounts of Syndecan-4 transmembrane domain (Syd4-TM) that is related to the healing wounds and tumor for a long time. In this study, we performed the structure determination of Syd4-TM combining the Polarity Index at Slanted Angle (PISA) wheel pattern analysis based on $^{15}N-^1H$ 2D SAMPI-4 solid-state NMR of expressed Syd4-TM and Molecular Dynamics (MD) simulation using Discovery Studio 3.1.

Determination of optimal accelerometer locations using modal sensitivity for identifying a structure

  • Kwon, Soon-Jung;Woo, Sungkwon;Shin, Soobong
    • Smart Structures and Systems
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    • 제4권5호
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    • pp.629-640
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    • 2008
  • A new algorithm is proposed to determine optimal accelerometer locations (OAL) when a structure is identified by frequency domain system identification (SI) method. As a result, a guideline is presented for selecting OAL which can reflect modal response of a structure properly. The guideline is to provide a minimum number of necessary accelerometers with the variation in the number of measurable target modes. To determine OAL for SI applications effectively, the modal sensitivity effective independence distribution vector (MS-EIDV) is developed with the likelihood function of measurements. By maximizing the likelihood of the occurrence of the measurements relative to the predictions, Fisher Information Matrix (FIM) is derived as a function of mode shape sensitivity. This paper also proposes a statistical approach in determining the structural parameters with a presumed parameter error which reflects the epistemic paradox between the determination of OAL and the application of a SI scheme. Numerical simulations have been carried out to examine the proposed OAL algorithm. A two-span multi-girder bridge and a two-span truss bridge were used for the simulation studies. To overcome a rank deficiency frequently occurred in inverting a FIM, the singular value decomposition scheme has been applied.

NMR을 이용한 홍삼의 용적밀도 측정 및 내부 조직 판별 (Determination of Bulk Density and Internal Structure of Red Ginseng Root Using NMR)

  • 장기철
    • Journal of Ginseng Research
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    • 제22권2호
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    • pp.96-101
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    • 1998
  • This paper describes the determination of bulk density and the discrimination of internal structure of red ginseng by nuclear magnetic resonance (NMR). The 102 red ginseng roots were tested for bulk density. The NMR properties measured by NMR parameters such as spin-lattice relaxation time ($T_1$) and spin-spin relaxation time ($T_2$) were determined using the low field proton NMR analyzer. Bulk density of red ginseng root showed a highly negative significant correlation (r=-0.8934) with the value of $T_1$, but a highly positive significant correlation (r=0.7672 and 0.5909) with the value of T21 (short T2) and T22 (long T2), respectively. Multiple regression equation, Y=-0.0069.$T_1$+0.3044.$T_{21}$-0.0156.$T_{22}$-0.6368, using the MNR parameter values of 80 red ginseng roots can effectively predict the bulk density of 22 red ginseng roots with the correlation coefficient of 0.9396 and the standard error of 0.086. The differences in the internal structure of normal and inside white part of red ginseng were easily found by the signal intensity of NMR image based on magnetic properties of proton nucleus.

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A new sensitive determination method of propylene oxide-hemoglobin adducts by EI-GC-MS (SIM)

  • Shin, Ho-Sang;Lee, Jin-Heon;Ahn, Hye-Sil
    • 한국환경보건학회:학술대회논문집
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    • 한국환경보건학회 2004년도 International Conference Global Environmental Problems and their Health Consequences
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    • pp.169-172
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    • 2004
  • A gas chromatography/mass spectrometric assay method was developed for the determination of propylene oxide adduct, N-(3-hydroxypropyl)valine. Adduct was released from hemoglobin by alkaline hydrolysis and extract at pH 8 with ethyl ether. The dried extract was completely derivatized with N-Methyl-N-(trimethylsilyl) trifluoroacetamide (MSTFA)/TMS-I (100:3). The detection limits of the assay were 0.08 ng/g for N-(3-hydroxypropyl)valine based upon assayed hemoglobin of 0.1 g. The method was applied to the determination of propylene oxide adduct formed in young female Sprague-Dawley rats after treatment for 1, 2 and 3 weeks with 0.008 % propylene oxide via the drinking water. An adduct was detected by proposed procedure. The structure of the adduct could be assigned to N-(3-hydroxypropyl)valine.

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Spectrophotometric Determination of Allopurinol Drug in Tablets: Spectroscopic Characterization of the Solid CT Complexes

  • Refat, Moamen S.;Mohamed, Gehad G.;Fathi, Ahmed
    • Bulletin of the Korean Chemical Society
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    • 제31권6호
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    • pp.1535-1542
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    • 2010
  • Spectrophotometric micro determination of allopurinol (ALP) via charge-transfer formation is described. This includes the utility of some $\pi$-acceptors such as 2,3-dichloro-5,6-dicyano-p-benzoquinone (DDQ) and 3,6-dichloro-2,5-dihydroxy-p-benzoquinone (p-CLA) for estimation of ALP drug (act as $\grave{e}$-donor). These reactions are applied for determination of ALP in its pharmaceutical preparations coming from different companies. Elucidation of the chemical structure of the solid CT complexes formed via reaction between drugs under study and $\pi$-acceptors, using elemental analyses (C, H, N), I. R., $^1H$ NMR and mass spectrometry.

Structure-based Functional Discovery of Proteins: Structural Proteomics

  • Jung, Jin-Won;Lee, Weon-Tae
    • BMB Reports
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    • 제37권1호
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    • pp.28-34
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    • 2004
  • The discovery of biochemical and cellular functions of unannotated gene products begins with a database search of proteins with structure/sequence homologues based on known genes. Very recently, a number of frontier groups in structural biology proposed a new paradigm to predict biological functions of an unknown protein on the basis of its three-dimensional structure on a genomic scale. Structural proteomics (genomics), a research area for structure-based functional discovery, aims to complete the protein-folding universe of all gene products in a cell. It would lead us to a complete understanding of a living organism from protein structure. Two major complementary experimental techniques, X-ray crystallography and NMR spectroscopy, combined with recently developed high throughput methods have played a central role in structural proteomics research; however, an integration of these methodologies together with comparative modeling and electron microscopy would speed up the goal for completing a full dictionary of protein folding space in the near future.

확장칼만필터와 최대공산법을 이용한 미사일 공력계수 모델의 설정 및 계수추정 (Missile Aerodynamic Structure and Parameter Identification Using the Extended Kalman Filter and Maximum Likelihood Method)

  • 성태경;이장규
    • 대한전기학회논문지
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    • 제35권6호
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    • pp.246-256
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    • 1986
  • Determination of an aerodynamic structure is a very important problem in missile modeling. The structure problem is to choose an appropriate set of aerodynamic coefficients to represent chosen missile dynamics. A methodology and criteria to determine a structure from windtunnel data are presented in this paper. Aerodynamic coeffecients in the determined structure are then identified by parameter identification algorithms. The identified coefficients are in turn used to verify appropriateness of the structure. The extended Kalman filter (EKF) and the maximum likelihood mithod (ML) are adopted as the parameter identification algorithm. Both methods exhibit satisfactory results. While the model identified by the ML more closely follows dynamics of the chosen missile than that by the EKF.

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Fabrication of Hydroxyapatite Ceramics to Mimic the Natural Bone Structure

  • Moon, Dae-Hee;Ryu, Su-Chak
    • 한국세라믹학회지
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    • 제48권5호
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    • pp.390-395
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    • 2011
  • The objective of our study was to produce an imitation bone material consisting of hydroxyapatite with a compact and spongy structure. This study shows the ideal content of $SiO_2$ and the sintering temperature to produce imitation bone that has the mechanical properties of natural bone. On the basis of our determination of the ideal conditions, a compact part was produced and its mechanical properties were tested. A compact part made of 0.5 wt% $SiO_2$ and sintered at $1350^{\circ}C$ showed excellent mechanical properties. The bioactivity of the compact part under this condition was tested, and it was found to be bioactive. The porous part was produced by controlling the powder size, and the dual structure was manufactured by combining the compact and porous parts. A water permeability test confirmed that the dual structure had an interconnected pore structure. Therefore, this dual-body structure is feasible for use in the creation of implants.

양안 시차와 T-교차 정보가White 착시 자극의 밝기 지각에 미치는 영향 (The effect of binocular disparity and T-junction on brightness perception in White illusion)

  • 김경호;김신우;이형철
    • 인지과학
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    • 제28권2호
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    • pp.91-109
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    • 2017
  • 본 연구의 목적은 규칙적으로 반복되는 구조가 존재하는 자극 상황에서 양안시차와 T-교차가 White 착시 자극의 밝기 지각에 미치는 영향을 검증하는 것이다. 실험 1은 White 착시 자극을 변형한 Howe (2005)의 자극을 사용하여 양안시차와 단안정보인 T-교차 및 규칙적 구조 정보가 소속성에 대하여 불일치한 정보를 가질 때 대상의 밝기 지각이 주로 단안 정보에 의해 결정됨을 발견하였다. 실험 2는 규칙적 구조 정보와 양안시차만 포함하는 자극을 사용하여 T-교차가 존재하지 않을 때 두 정보 중 어느 하나가 주도적으로 밝기 지각을 결정하지 못함을 발견하였다. 본 연구의 실험 결과는 규칙적 구조와 양안시차가 대상의 소속성에 대하여 불일치한 정보를 제공할 때 T-교차가 대상의 소속성 결정에 중요한 정보로 이용되며 그에 따라 대상의 밝기 지각이 영향 받을 수 있음을 시사한다.

CAD를 이용한 텐세그리티 구조물의 평형응력모드 결정법 (Equilibrium Stress Mode Determination of Tensegrity Structure by CAD)

  • 김재열
    • 한국공간구조학회논문집
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    • 제12권2호
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    • pp.81-88
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    • 2012
  • 텐세그리티 구조시스템의 한 종류인 케이블 돔 시스템은 케이블과 마스트로 이루어져 있다. 이 케이블에 외부하중이 가해지지 않은 상태에서 안정된 구조물이 되기 위하여 일정의 프리텐션이 가해져야 하며 구조물은 가해진 프리텐션 하에서 자기평형응력상태에 있어야 한다. 본 연구에서는 부재의 내력 벡터의 합 원리를 기초하여 자기평형 응력모드를 구하는 새로운 방법을 제안하였으며, 자기평형응력을 유지하기 위해 필요한 응력모드를 시각화할 수 있다는 점이 기존의 논문과 비교하여 독특성을 갖는다. 본 연구에서 제안된 방법에서 사용된 기본 원리는 모든 절점에서 외부하중이 가해지지 않은 상태에서 내력벡터의 합은 0이 되어야 한다는 것이다. 제안된 방법은 CAD를 이용하여 간단히 자기 평형응력모드를 찾을 수 있으며, 예제 케이블 돔 구조물을 대상으로 각 절점에 연결된 부재들의 내력을 결정하였다. 결과 값은 역학적 계산 방법과 기존의 이론에 의해 검증하였으며 잘 일치하였다.