• Title/Summary/Keyword: *-derived sets

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Structures and N→Si Bond Characters of 1-Fluorosilatrane and the Silatranyl Cation

  • Lee, Hyo-Sug;Bae, Cheol-Beom;Do, Young-Kyu;Lee, Yoon-Sup
    • Bulletin of the Korean Chemical Society
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    • v.23 no.2
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    • pp.215-220
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    • 2002
  • The structures of 1-fluorosilatrane and the silatranyl cation were calculated by Hartree-Fock (HF), Mofller-Plesset second order (MP2), and various density functional theory (DFT) methods using many different basis sets, demonstrating that the Si-N bonds in two species are quite different. The N${\rightarrow}$Si bond distance of 1-fluorosilatrane from the hybrid DFT calculations $({\sim}2.32{\AA})$ using the Perdew-Wang correlation functional agrees with the gas phase experimental value $(2.324{\AA})$, while other functionals yield larger distances. The MP2 bond distance (2.287${\AA}$ with 6-311$G^{\ast}$) is shorter, and the HF one (2.544 ${\AA}$ with 6-311$G^{\ast}$) larger than those of DFT calculations. The MP2 bond distance is in good agreement with experiment indicating that the electron correlations are crucial for the correct description of the N${\rightarrow}$Si interaction. The silatranyl cation is a stable local minimum on the potential energy surface in all methods employed suggesting that the cation could be a reaction intermediate. The Si-N bond length for the cation is about 1.87 ${\AA}$ for all calculations tested implying that the Si-N bond is mainly conventional. Bonding characteristics of the Si-N bond in two species derived from the natural bond orbital analysis support the above argument based on calculated bond lengths.

Choristoneura fumiferana Granulovirus p74 Protein, a Highly Conserved Baculoviral Envelope Protein

  • Rashidan, Kianoush Khajeh;Nassoury, Nasha;Tazi, Samia;Giannopoulos, Paresa N.;Guertin, Claude
    • BMB Reports
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    • v.36 no.5
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    • pp.475-487
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    • 2003
  • A gene that encodes a homologue to baculoviral p74, an envelope-associated viral structural protein, has been identified and sequenced on the genome of Choristoneura fumiferana granulovirus (ChfuGV). A part of the ChfuGV p74 gene was located on an 8.9 kb BamHI subgenomic fragment using different sets of degenerated primers. These were designed using the results of the protein sequencing of a major 74 kDa structural protein that is associated with the occlusion-derived virus (ODV). The gene has a 1992 nucleotide (nt) open-reading frame (ORF) that encodes a protein with 663 amino acids with a predicted molecular mass of 74,812 Da. Comparative studies revealed the presence of two major conserved regions in the ChfuGV p74 protein. This study also shows that all of the p74 proteins contain two putative transmembrane domains at their C-terminal segments. At the nucleotide sequence level, two late promoter motifs (TAAG and GTAAG) were located upstream of the first ATG of the p74 gene. The gene contained a canonical poly(A) signal, AATAAA, at its 3' non-translated region. A phylogenetic tree for baculoviral p74 was constructed using a maximum parsimony analysis. The phylogenetic estimation demonstrated that ChfuGV p74 is related the closest to those of Cydia pomonella granulovirus (CpGV) and Phthorimaea operculella granulovirus (PhopGV).

Nonlinear Dynamic Characteristics of Antisymmetric Laminated Shells (역대칭 적층쉘의 비선형 동적 특성에 관한 연구)

  • Park, Sung Jin;Mikami, Takashi;Kim, Young Jin
    • Journal of Korean Society of Steel Construction
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    • v.10 no.4 s.37
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    • pp.691-700
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    • 1998
  • Based on Von Karman-Donnell kinematic assumptions for laminated shells, the nonlinear vibration behaviour of antisymmetrically or asymmetrically laminated cross-ply circular cylindrical shells with clamped and simply-supported ends are studied by a multi-mode approach. A equation is formulated and satisfies the associated compatibility equation and all boundary conditions. The displacement function is assumed to take the form of the lowest linear vibration mode and to satisfy continuity of the circumferential displacement. The nonlinear vibration equation is derived by the Galerkin's method. And nonlinear frequency is obtained by using the harmonic balance method as a function of lamination parameters, material constants, aspect ratio and amplitude of vibration. The effect of initial imperfection is also included. Results of the non-linear vibration are presented for different amplitudes of initial imperfection and four sets of boundary conditions. Present results are compared well with existing analysis results.

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MEAT SPECIATION USING A HIERARCHICAL APPROACH AND LOGISTIC REGRESSION

  • Arnalds, Thosteinn;Fearn, Tom;Downey, Gerard
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.1245-1245
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    • 2001
  • Food adulteration is a serious consumer fraud and a matter of concern to food processors and regulatory agencies. A range of analytical methods have been investigated to facilitate the detection of adulterated or mis-labelled foods & food ingredients but most of these require sophisticated equipment, highly-qualified staff and are time-consuming. Regulatory authorities and the food industry require a screening technique which will facilitate fast and relatively inexpensive monitoring of food products with a high level of accuracy. Near infrared spectroscopy has been investigated for its potential in a number of authenticity issues including meat speciation (McElhinney, Downey & Fearn (1999) JNIRS, 7(3), 145-154; Downey, McElhinney & Fearn (2000). Appl. Spectrosc. 54(6), 894-899). This report describes further analysis of these spectral sets using a hierarchical approach and binary decisions solved using logistic regression. The sample set comprised 230 homogenized meat samples i. e. chicken (55), turkey (54), pork (55), beef (32) and lamb (34) purchased locally as whole cuts of meat over a 10-12 week period. NIR reflectance spectra were recorded over the wavelength range 400-2498nm at 2nm intervals on a NIR Systems 6500 scanning monochromator. The problem was defined as a series of binary decisions i. e. is the meat red or white\ulcorner is the red meat beef or lamb\ulcorner, is the white meat pork or poultry\ulcorner etc. Each of these decisions was made using an individual binary logistic model based on scores derived from principal component or partial least squares (PLS1 and PLS2) analysis. The results obtained were equal to or better than previous reports using factorial discriminant analysis, K-nearest neighbours and PLS2 regression. This new approach using a combination of exploratory and logistic analyses also appears to have advantages of transparency and the use of inherent structure in the spectral data. Additionally, it allows for the use of different data transforms and multivariate regression techniques at each decision step.

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MEAT SPECIATION USING A HIERARCHICAL APPROACH AND LOGISTIC REGRESSION

  • Arnalds, Thosteinn;Fearn, Tom;Downey, Gerard
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.1152-1152
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    • 2001
  • Food adulteration is a serious consumer fraud and a matter of concern to food processors and regulatory agencies. A range of analytical methods have been investigated to facilitate the detection of adulterated or mis-labelled foods & food ingredients but most of these require sophisticated equipment, highly-qualified staff and are time-consuming. Regulatory authorities and the food industry require a screening technique which will facilitate fast and relatively inexpensive monitoring of food products with a high level of accuracy. Near infrared spectroscopy has been investigated for its potential in a number of authenticity issues including meat speciation (McElhinney, Downey & Fearn (1999) JNIRS, 7(3), 145 154; Downey, McElhinney & Fearn (2000). Appl. Spectrosc. 54(6), 894-899). This report describes further analysis of these spectral sets using a hierarchical approach and binary decisions solved using logistic regression. The sample set comprised 230 homogenized meat samples i. e. chicken (55), turkey (54), pork (55), beef (32) and lamb (34) purchased locally as whole cuts of meat over a 10-12 week period. NIR reflectance spectra were recorded over the wavelength range 400-2498nm at 2nm intervals on a NIR Systems 6500 scanning monochromator. The problem was defined as a series of binary decisions i. e. is the meat red or white\ulcorner is the red meat beef or lamb\ulcorner, is the white meat pork or poultry\ulcorner etc. Each of these decisions was made using an individual binary logistic model based on scores derived from principal component or partial least squares (PLS1 and PLS2) analysis. The results obtained were equal to or better than previous reports using factorial discriminant analysis, K-nearest neighbours and PLS2 regression. This new approach using a combination of exploratory and logistic analyses also appears to have advantages of transparency and the use of inherent structure in the spectral data. Additionally, it allows for the use of different data transforms and multivariate regression techniques at each decision step.

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NIR PREDICTIONS OF INDIRECT RESPONSES

  • Claridge, Rovert-Burling;Ross Clarke
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.3103-3103
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    • 2001
  • NIR has been extensively used to predict directly measurable properties of materials that are important to the appropriate industries. Commonly, NIR is used to perform fast, routine tests to improve control response as against the response time for the (normally chemical) base test. This paper discusses the use of NIR to measure indirect properties of materials. In these cases, the pure chemical or physical tests are either unable measure the appropriate parameters (eg GMO modification) or there are mitigating effects that are not properly addressed by the base tests. In particular, we looked at the digestible portion of amino acids within meat and bone meal. This is the desired response measurement by end-users of the product (intensive livestock producers) but is currently unable to be offered as a measurement by producers. The base test method is by controlled feeding trials. These are somewhat cumbersome, taking 2-3 months, involving several sets of animals, and considerable expense. A shortened test (feed trial based) would be of little use, as the precision blows out over short period feeding trials. For example, a rat ileal digestibility test requires around 2 months, and costs some $USD1000. This is clearly impractical test for a producer involved in continuous production, with a 1-2 day turn around. While the amino acid abundance is accessible chemically, the uptake of amino acids into usable material by mammalian species is not simply related to the measured abundance within the material. There are many co-related material properties that might help or hinder uptake, some chemical based (eg protein damage), some indirect (eg palatability), some physiological (intestinal tract response vs speed of throughput). We discuss the approaches taken to provide a suitable reference data set, and present the derived prediction and validation relationships.

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Weathering Characteristics of On-Yang Gneiss using Ground Penetrating Radar (지표투과레이다(Ground Penetrating Radar)를 이용한 온양편마암의 풍화특성 고찰)

  • Shin, Sung-Ryul;Park, Boo-Seong;Jang, Won-Il
    • Geophysics and Geophysical Exploration
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    • v.2 no.1
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    • pp.1-7
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    • 1999
  • We investigated the weathering characteristics of On-Yang gneiss by means of geological survey and Ground Penetrating Radar(GPR). The results of geological survey and boring show the two sets of vertical joint and horizontal joint developed by foliation which is composed of salic and melanic layers. GPR section evidently shows foliation direction and differential weathering due to discontinuity and mineral composition of metamorphic rock. The GPR section for instantaneous phase attribute based on complex trace analysis evidently shows continuity and foliation direction of metamorphic rock. The strong reflection amplitude which is derived from the banded structure of weathered rock can be incorrectly interpreted as a reflection of bedrock. The depth of rock basement should be estimated from the overall exploration result such as boring, seismic method, and electrical resistivity method.

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Research on Minimizing Access to RDF Triple Store for Efficiency in Constructing Massive Bibliographic Linked Data (극대용량 서지 링크드 데이터 구축의 효율성을 위한 RDF 트리플 저장소 접근 최소화에 관한 연구)

  • Lee, Moon-Ho;Choi, Sung-Pil
    • Journal of Korean Library and Information Science Society
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    • v.48 no.3
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    • pp.233-257
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    • 2017
  • In this paper, we propose an effective method to convert and construct the MEDLINE, the world's largest biomedical bibliographic database, into linked data. To do this, we first derive the appropriate RDF schema by analyzing the MEDLINE record structure in detail, and convert each record into a valid RDF file in the derived schema. We apply the dual batch registration method to streamline the subject URI duplication checking procedure when merging all RDF files in the converted record unit and storing it in a single RDF triple storage. By applying this method, the number of RDF triple storage accesses for the subject URI duplication is reduced from 26,597,850 to 2,400, compared with the sequential configuration of linked data in units of RDF files. Therefore, it is expected that the result of this study will provide an important opportunity to eliminate the inefficiency in converting large volume bibliographic record sets into linked data, and to secure promptness and timeliness.

Study on Model Identification and Pre-Differential 2-DOF PID Flow Control Algorithm for Cooling Processes (냉각 프로세서의 모델규명 및 선행미분형 2 자유도 PID 유량 제어 알고리즘에 관한 연구)

  • Hwang, I-Cheol;Park, Cheol-Jae
    • Transactions of the Korean Society of Mechanical Engineers A
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    • v.34 no.12
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    • pp.1917-1923
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    • 2010
  • This study focuses on model identification and a 2-DOF PID control algorithm for cooling processes; a pneumatic butterfly-type control valve is used for this purpose. The mathematical model is a transfer function composed of a time delay and a second-order delay system. The control valve is identified as a first-order delay system with a time delay and included in the controlled plant. From the experimental data sets for a demo plant, the model parameters are identified, and the 2-DOF PID control gains are analytically derived by Kitamori's method. We show via a computer simulation and an experimental test that the performance of the proposed 2-DOF PID control system is better than that of a conventional 1-DOF PID control system.

Numerical simulation of Hydrodynamics and water properties in the Yellow Sea. I. Climatological inter-annual variability

  • Kim, Chang-S.;Lim, Hak-Soo;Yoon, Jong-Joo;Chu, Peter-C.
    • Journal of the korean society of oceanography
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    • v.39 no.1
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    • pp.72-95
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    • 2004
  • The Yellow Sea is characterized by relatively shallow water depth, varying range of tidal action and very complex coastal geometry such as islands, bays, peninsulas, tidal flats, shoals etc. The dynamic system is controlled by tides, regional winds, river discharge, and interaction with the Kuroshio. The circulation, water mass properties and their variability in the Yellow Sea are very complicated and still far from clear understanding. In this study, an effort to improve our understanding the dynamic feature of the Yellow Sea system was conducted using numerical simulation with the ROMS model, applying climatologic forcing such as winds, heat flux and fresh water precipitation. The inter-annual variability of general circulation and thermohaline structure throughout the year has been obtained, which has been compared with observational data sets. The simulated horizontal distribution and vertical cross-sectional structures of temperature and salinity show a good agreement with the observational data indicating significantly the water masses such as Yellow Sea Warm Water, Yellow Sea Bottom Cold Water, Changjiang River Diluted Water and other sporadically observed coastal waters around the Yellow Sea. The tidal effects on circulation and dynamic features such as coastal tidal fronts and coastal mixing are predominant in the Yellow Sea. Hence the tidal effects on those dynamic features are dealt in the accompanying paper (Kim et at., 2004). The ROMS model adopts curvilinear grid with horizontal resolution of 35 km and 20 vertical grid spacing confirming to relatively realistic bottom topography. The model was initialized with the LEVITUS climatologic data and forced by the monthly mean air-sea fluxes of momentum, heat and fresh water derived from COADS. On the open boundaries, climatological temperature and salinity are nudged every 20 days for data assimilation to stabilize the modeling implementation. This study demonstrates a Yellow Sea version of Atlantic Basin experiment conducted by Haidvogel et al. (2000) experiment that the ROMS simulates the dynamic variability of temperature, salinity, and velocity fields in the ocean. However the present study has been improved to deal with the large river system, open boundary nudging process and further with combination of the tidal forcing that is a significant feature in the Yellow Sea.