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Systematic Assessment of the Effects of an All-Atom Force Field and the Implicit Solvent Model on the Refinement of NMR Structures with Subsets of Distance Restraints

  • Jee, Jun-Goo
    • Bulletin of the Korean Chemical Society
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    • v.35 no.7
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    • pp.1944-1950
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    • 2014
  • Employment of a time consuming, sophisticated calculation using the all-atom force field and generalized-Born implicit solvent model (GBIS) for refinement of NMR structures has become practical through advances in computational methods and capacities. GBIS refinement improves the qualities of the resulting NMR structures with reduced computational times. However, the contribution of GBIS to NMR structures has not been sufficiently studied in a quantitative way. In this paper, we report the effects of GBIS on the refined NMR structures of ubiquitin (UBQ) and GB1 with subsets of distance restraints derived from experimental data. Random omission prepared a series of distance restraints 0.05, 0.1, 0.3, 0.5, and 0.7 times smaller. For each number, we produced five different restraints for statistical analysis. We then recalculated the NMR structures using CYANA software, followed by GBIS refinements using the AMBER package. GBIS improved both the precision and accuracy of all the structures, but to varied levels. The degrees of improvement were significant when the input restraints were insufficient. In particular, GBIS enabled GB1 to form an accurate structure even with distance restraints of 5%, revealing that the root-mean-square deviation was less than 1 ${\AA}$ from the X-ray backbone structure. We also showed that the efficiency of searching the conformational space was more important for finding accurate structures with the calculation of UBQ with 5% distance restraints than the number of conformations generated. Our data will provide a meaningful guideline to judge and compare the structural improvements by GBIS.

Accuracy Comparison of Blood Pressure among the Direct Measurement Method and Two Automatic Indirect Measurement Methods in the Patients with Various Blood Pressure (다양한 혈압상태에서 직접혈압을 기준으로 HP 자동혈압기와 국산자동혈압기의 정확도 비교)

  • Song Hyo-Sook;Jun Tae-Gook;Choi Eun-Jung;Kim Mi-Jung
    • Journal of Korean Academy of Fundamentals of Nursing
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    • v.8 no.3
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    • pp.366-378
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    • 2001
  • Objective: The purpose of this study was to identify differences in measurement methods for blood pressure (Direct measurement, HP automatic indirect measurement, and SE 7000 Korean made indirect measurement), and to evaluate the clinical trial of the Korean made automatic indirect blood pressure measurement. Material & Methods: From June, 1999 to February, 2000, fifty five consecutive patients were randomized into hypertension group (n=20), normotension group (n=20), and hypotension group (n= 15). Measuring blood pressure by indirect methods (HP NIBP M 1008B and SE 7000 NIBP Korean made) was done simultaneously in the same arm with arterial line for direct blood pressure measurement (HP M1006A). The procedures were repeated ten times at intervals of 2 minutes. Statistical analysis was Performed using SPSS (version 8.0 for windows) software package. Values were expressed as means and standard deviation and means were compared using t-test. Statistical significance was considered present with a p value less than 0.05. Results: In the hypertension group and noromotension group, the disparity between HP direct measurement and indirect SE 7000 NIBP did not show any differences compared to the disparity between HP direct measurement and indirect HP NIBP. In the hypotension group, the disparity in the diastolic pressure between HP direct measurement and indirect SE 7000 NIBP was significantly different compared to the disparity between HP direct measurement and indirect HP NIBP (p<0.001), however, disparities in systolic pressure did not showed any differences. Conclusion: Direct blood pressure measurement (HP M1006A) can be replaced with indirect blood pressure measurements (HP NIBP M 1008B & SE 7000 NIBP) in normotension and hypertension patients. Korean made indirect measurement was found to be more accurate compared to HP indirect measurement in hypotension Patients, but more study is needed.

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Bayesian Survival Analysis of High-Dimensional Microarray Data for Mantle Cell Lymphoma Patients

  • Moslemi, Azam;Mahjub, Hossein;Saidijam, Massoud;Poorolajal, Jalal;Soltanian, Ali Reza
    • Asian Pacific Journal of Cancer Prevention
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    • v.17 no.1
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    • pp.95-100
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    • 2016
  • Background: Survival time of lymphoma patients can be estimated with the help of microarray technology. In this study, with the use of iterative Bayesian Model Averaging (BMA) method, survival time of Mantle Cell Lymphoma patients (MCL) was estimated and in reference to the findings, patients were divided into two high-risk and low-risk groups. Materials and Methods: In this study, gene expression data of MCL patients were used in order to select a subset of genes for survival analysis with microarray data, using the iterative BMA method. To evaluate the performance of the method, patients were divided into high-risk and low-risk based on their scores. Performance prediction was investigated using the log-rank test. The bioconductor package "iterativeBMAsurv" was applied with R statistical software for classification and survival analysis. Results: In this study, 25 genes associated with survival for MCL patients were identified across 132 selected models. The maximum likelihood estimate coefficients of the selected genes and the posterior probabilities of the selected models were obtained from training data. Using this method, patients could be separated into high-risk and low-risk groups with high significance (p<0.001). Conclusions: The iterative BMA algorithm has high precision and ability for survival analysis. This method is capable of identifying a few predictive variables associated with survival, among many variables in a set of microarray data. Therefore, it can be used as a low-cost diagnostic tool in clinical research.

A Tutorial on PLS Structural Equating Modeling using R: (Centering on) Exemplified Research Model and Data (R을 이용한 PLS 구조방정식모형 분석 튜토리얼: 예시 연구모형 및 데이터를 중심으로)

  • Yoon, Cheolho;Kim, Sanghoon
    • Information Systems Review
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    • v.16 no.3
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    • pp.89-112
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    • 2014
  • This tutorial presents an approach to perform the PLS structural equation modeling using the R. For this purpose, the practical guide defines the criteria for the PLS structural equation modeling by reviewing previous studies, and shows how to analyze the research model with an example using the "plspm" which is the R package for the performing PLS path analysis against the criteria. This practical guide will be useful for the study of the PLS model analysis for new researchers and will provide the knowledge base for in-depth analysis through the new PLS structural equation modeling technique using R which is the integrated statistical software operating environment for the researchers familiar with the PLS structural equation modeling.

The effects of beam-column connections on behavior of buckling-restrained braced frames

  • Hadianfard, Mohammad Ali;Eskandari, Fateme;JavidSharifi, Behtash
    • Steel and Composite Structures
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    • v.28 no.3
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    • pp.309-318
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    • 2018
  • Buckling Restrained Braced (BRB) frames have been widely used as an efficient seismic load resisting system in recent years mostly due to their symmetric and stable hysteretic behavior and significant energy dissipation capacity. In this study, to provide a better understanding of the behavior of BRB frames with various beam-column connections, a numerical study using non-linear finite element (FE) analysis is conducted. All models are implemented in the Abaqus software package following an explicit formulation. Initially, the results of the FE model are verified with experimental data. Then, diverse beam-column connections are modeled for the sake of comparison from the shear capacity, energy dissipation and frame hysteresis behavior points of view until appropriate performance is assessed. The considered connections are divided into three different categories: (1) simple beam-column connections including connection by web angle and connection by seat angle; (2) semi-rigid connection including connection by web and seat angles; and (3) rigid beam-column connections by upper-lower beam plates and beam connections with web and flange splices. Results of the non-linear FE analyses show that these types of beam-column connections have little effect on the maximum story drift and shear capacity of BRB frames. However, the connection type has a significant effect on the amount of energy dissipation and hysteresis behavior of BRB frames. Also, changes in length and thickness of the angles in simple and semi-rigid connections and changes in length and thickness of plates in rigid connections have slight effects (less than 4%) on the overall frame behavior.

Impact of Tobacco on Glutathione S Transferase Gene Loci of Indian Ethnics

  • Senthilkumar, K.P.;Thirumurugan, Ramasamy
    • Asian Pacific Journal of Cancer Prevention
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    • v.13 no.10
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    • pp.5037-5042
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    • 2012
  • Background: Tobacco contains agents which generate various potent DNA adducts that can cause gene mutations. Production of DNA adducts may be neutralized by glutathione S transferase (GST) along with other phase I and phase II enzyme systems. The existence of null type of GST among the population increases the susceptibility to various disorders and diseases. The present study focuses on the impact of high tobacco usage and possible null type mutation in GST loci. Methods: Genotypes of GST were detected by multiplex polymerase chain reaction in unrelated 504 volunteers of high tobacco using natives of Gujarat. Allelic frequencies were calculated using Statistical Package for Social Studies-16 software. Hardy Weinberg Equilibrium (HWE) was calculated using Chi square test. Two sided Fisher's significance test was used to compare allelic frequencies of different populations. Results: The frequency of homozygous null genotype of GSTM1 and GSTT1 were 20% (95% CI 16.7-23.9) and 35.5% (95% CI 31.4-39.9) respectively. The GSTM1 and GSTT1 null allele frequency distribution in the Gujarat population was significantly deviating from HWE. GSTT1 null frequency of Gujaratians was significantly higher and different to all reported low tobacco using Indian ethnics, while GSTM1 was not differing significantly. Conclusion: Tobacco usage significantly influences the rate of mutation and frequency of GSTT1 and M1 null types among the habituates. The rate of mutation in GSTT1 loci was an undeviating response to the dose of tobacco usage among the population. This mutational impact of tobacco on GSTT1 postulates the possible gene - environment interaction and selection of null genotype among the subjects to prone them under susceptible status for various cancers and even worst to cure the population with GSTT1 dependent drugs.

A Study on the Effective Image Sequence Format in 3D Animation Production (3D 애니메이션 제작에 있어서 효율적인 Image Sequence format에 관한 연구)

  • Kim Ho
    • Proceedings of the Korea Contents Association Conference
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    • 2005.11a
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    • pp.131-136
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    • 2005
  • In 3D animation rendering process, Although we can render the output as a movie file format, most productions use image sequences in their rendering pipelines. This Image Sequence rendering process is extremely important step in final compositing in movie industries. Although there are various type of making image rendering processes, TGA format is one of most widely used bitmap file formats using in industries. People may ask TGA format is most suitable for in any case. As we know 3D softwares have their own image formats. so we need to testify on this. In this paper, we are going to focus on Alias' 3D package software called MAYA which we will analyze of compressing image sequence, Image quality, supporting Alpha channels in compositing, and Z-depth Information. The purpose of this paper is providing to 3D Pipeline as a guideline about effective image sequence format.

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Genome re-sequencing to identify single nucleotide polymorphism markers for muscle color traits in broiler chickens

  • Kong, H.R.;Anthony, N.B.;Rowland, K.C.;Khatri, B.;Kong, B.C.
    • Asian-Australasian Journal of Animal Sciences
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    • v.31 no.1
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    • pp.13-18
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    • 2018
  • Objective: Meat quality including muscle color in chickens is an important trait and continuous selective pressures for fast growth and high yield have negatively impacted this trait. This study was conducted to investigate genetic variations responsible for regulating muscle color. Methods: Whole genome re-sequencing analysis using Illumina HiSeq paired end read method was performed with pooled DNA samples isolated from two broiler chicken lines divergently selected for muscle color (high muscle color [HMC] and low muscle color [LMC]) along with their random bred control line (RAN). Sequencing read data was aligned to the chicken reference genome sequence for Red Jungle Fowl (Galgal4) using reference based genome alignment with NGen program of the Lasergene software package. The potential causal single nucleotide polymorphisms (SNPs) showing non-synonymous changes in coding DNA sequence regions were chosen in each line. Bioinformatic analyses to interpret functions of genes retaining SNPs were performed using the ingenuity pathways analysis (IPA). Results: Millions of SNPs were identified and totally 2,884 SNPs (1,307 for HMC and 1,577 for LMC) showing >75% SNP rates could induce non-synonymous mutations in amino acid sequences. Of those, SNPs showing over 10 read depths yielded 15 more reliable SNPs including 1 for HMC and 14 for LMC. The IPA analyses suggested that meat color in chickens appeared to be associated with chromosomal DNA stability, the functions of ubiquitylation (UBC) and quality and quantity of various subtypes of collagens. Conclusion: In this study, various potential genetic markers showing amino acid changes were identified in differential meat color lines, that can be used for further animal selection strategy.

Analysis of various statistical techniques used in the articles published during last 19 years in The Journal of Korean Acupuncture & Moxibusition Society (침구학회지 논문에 응용된 통계방식에 관한 연구 -1984 창간호부터 2002년 19권 6호까지 19년간-)

  • Lee, Seung-deok
    • Journal of Acupuncture Research
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    • v.20 no.1
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    • pp.144-158
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    • 2003
  • This study was carried out to investigate what kinds of statistical techniques have been used to analyze data from oriental medicine research, For study, 551 original articles which used statistical techniques in their data analysis were selected form the articles published in The journal of Korean Acupuncture & Moxibustion Society(JKAMS) between 1984 to 2002. among them, 122 articles used descriptive statistics while 429 articles used inferential statistics for data analysis. For that 429 articles, t-test (189 articles), analysis fo variance (111 articles), chi-square test (14 articles), correlation (10 articles), regression analysis (4 articles), factor analysis(5 articles), or nonparametric test (23 articles) were chose to analyze the data. Nonparametric approach has substantial power in case data do not meet the assumption of normality. This method is not only easy to use ut also provides measures of the statistical variation of nominal and ordinal scale. This study shows that more and more recent papers use nonparametric test compared to the old articles. nine different statistical software or packages (SAS, SPSS, Statview, Minitab, Sigma plot, ISP, Graphpad prism, Excel, Access) have been used in the articles published JKMAS. High level statistical techniques such as SAS, SPSS, and Statview are user friendly and used most for acupuncture and Moxibustion research. Including tables and plots in an article facilitates understanding family process data from a descriptive standpoint, minimized erroneous statistical conclusions, and clarifies theoretically important relationships among variables. Table and plots have been used 500 and 233 articles, respectively. A computer procedure is proposed and illustrated with statistical packages using SAS, SPSS, Statview and ISP.

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GIS Analyst of Fishing Fleet in the East Sea Derived from Nighttime Satellite Images in 1993 (1993년 야간위성영상에서 관측한 동해 어선분포의 GIS에 의한 분석)

  • 김상우
    • Journal of the Korea Institute of Information and Communication Engineering
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    • v.6 no.6
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    • pp.812-818
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    • 2002
  • Spatio-temporal distributions of nighttime fishing fleet are descirbed with the aid of geographic information system(GIS) technology in the East/Japan Sea, using daily mean composite images of the Defense Meteorological Satellite Program(DMSP) /Operational Linescan System(OLS) in 1993. We selected a study area from $30^{\circ} N to 44^{\circ} N in latitude and from 124^{\circ} E to 142^{\circ}$ E in longitude in order to describe the monthly and seasonal changes of nighttime fishing fleet. The GIS software package Image Analyst (ArcView 3) are used to analyze spatio-temporal distributions of fishing nut. And the OLS images of nighttime visible band provide useful information about the spatio-temporal distribution of the fishing nut. Density areas of nighttime fishing fleet are around Tsushima/korea Strait. the east coast of the Korea Peninsula, the coast of Honshu, and around Yamato Bank.