• Title/Summary/Keyword: Structure determination

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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
    • Journal of the Korean Magnetic Resonance Society
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    • v.18 no.2
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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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    • v.4 no.5
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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.

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

  • ;R. Ruan
    • Journal of Ginseng Research
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    • v.22 no.2
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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
    • Proceedings of the Korean Environmental Health Society Conference
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    • 2004.06a
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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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    • v.31 no.6
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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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    • v.37 no.1
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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.

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

  • 성태경;이장규
    • The Transactions of the Korean Institute of Electrical Engineers
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    • v.35 no.6
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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
    • Journal of the Korean Ceramic Society
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    • v.48 no.5
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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.

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

  • Kim, KyungHo;Kim, ShinWoo;Li, Hyung-Chul O.
    • Korean Journal of Cognitive Science
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    • v.28 no.2
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    • pp.91-109
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    • 2017
  • The purpose of the research was to examine the relative effect of binocular disparity and T-junction on the determination of object's belongingness in brightness perception when regular repeating structure was present in the stimuli. Using Howe's stimuli, the variation of White illusion stimuli, Experiment 1 found that object's belongingness was mainly determined by monocular information (T-junction as well as regular repeating structure) rather than by binocular disparity when both informations on belongingness were inconsistent. Experiment 2, using the stimuli employing only regular repeating structure and binocular disparity, found that object's belongingness was not determined by any single information. These results imply that when the regular repeating structure and binocular disparity are inconsistent on object's belongingness, T-junction plays an important role in the determination of the object's belongingness and that the brightness perception is affected by it.

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

  • Kim, Jae-Yeol
    • Journal of Korean Association for Spatial Structures
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    • v.12 no.2
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    • pp.81-88
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    • 2012
  • Cable dome structures are composed of cables-masts and the cables should be in pre-tension since a structure without pre-tension is not stable. Under the pretension, self equilibrium stress state is the main characteristic of a cable dome structure. In this paper, a new method based on the basic principle of closed force polygon for equilibrium system is proposed for the determination of self-equilibrium mode of cable dome structure. The proposed method which is called geometric method has the unique characteristic of visualization of the force mode needed for maintenance of self-equilibrium. The basic theory for a self equilibrium of structure is that the summation of forces at each joint without any external load should be zero. The simplicity of the method which involves only drawing close polygon with the aid of suitable CAD software has been illustrated by means of a example. The results compared with mechanical calculation and existed method and shows good agreement.