• 제목/요약/키워드: Screening Theory

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Identification of inhibitors against ROS1 targeting NSCLC by In- Silico approach

  • Bavya, Chandrasekhar
    • 통합자연과학논문집
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    • 제15권4호
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    • pp.171-177
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    • 2022
  • ROS1 (c-ros oncogene) is one of the gene with mutation in NSCLC (non-small cell lung cancer). The increased expression of ROS1 is leading to the increase proliferation of cell, cell migration and survival. Crizotinib and Entrectinib are the drugs that have been approved by FDA against ROS1 protein, but recently patients started to develop resistance against Crizotinib and there is a need of new drug that could act as an effective drug against ROS1 for NSCLC. In this study, we have performed virtual screening, where compounds are taken from Zinc 15 dataset and molecular docking was performed. The top compounds were taken based upon their binding affinity and their interactions with the residues. The compounds stability and chemical reactivity was also studied through Density Functional theory and their properties. Further study of these compounds could reveal the required information of ROS1-inhibitor complex and in the discovery of potent inhibitors.

Investigation of LiO2 Adsorption on LaB1-xB'xO3(001) for Li-Air Battery Applications: A Density Functional Theory Study

  • Kwon, Hyunguk;Han, Jeong Woo
    • 한국세라믹학회지
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    • 제53권3호
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    • pp.306-311
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    • 2016
  • Li-air batteries have received much attention due to their superior theoretical energy density. However, their sluggish kinetics on the cathode side is considered the main barrier to high performance. The rational design of electrode catalysts with high activity is therefore an important challenge. To solve this issue, we performed density functional theory (DFT) calculations to analyze the adsorption behavior of the $LiO_2$ molecule, which is considered to be a key intermediate in both the Li-oxygen reduction reaction (ORR) and the evolution reaction (OER). Specifically, to use the activity descriptor approach, the $LiO_2$ adsorption energy, which has previously been demonstrated to be a reliable descriptor of the cathode reaction in Li-air batteries, was calculated on $LaB_{1-x}B^{\prime}_xO_3$(001) (B, B' = Mn, Fe, Co, and Ni, x = 0.0, 0.5). Our fast screening results showed that $LaMnO_3$, $LaMn_{0.5}Fe_{0.5}O_3$, or $LaFeO_3$ would be good candidate catalysts. We believe that our results will provide a way to more efficiently develop new cathode materials for Li-air batteries.

전립선암 검진의도 구조모형 (A Structural Equation Modeling of Prostate Cancer Screening Intention)

  • 정지혜;박남희
    • 지역사회간호학회지
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    • 제30권4호
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    • pp.471-483
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    • 2019
  • Purpose: The purpose of this study was to identify factors associated with the intention of the prostate cancer screening (PCS). To achieve this purpose, a structural equation model was established based on the health belief model and the theory of planned behavior. Methods: The subjects of this study were 260 male participants who were between 40 and 74 years old and had not taken the PCS. Data were collected using a structured self-report questionnaire (i.e., perceived benefits, perceived barriers, attitude, subjective norms, perceived behavior control, and intention of the PCS). Descriptive statistics, reliability analysis, correlation analysis, confirmatory factor analysis, and fitness test were used to test hypotheses. Results: The intention of the PCS was directly affected by the perceived behavior control and indirectly influenced by the perceived benefits. The structural equation model also showed that the perceived behavior control explained 78% of the intention. Conclusion: To raise the intention to take the PCS, it is necessary to increase the confidence of a subject that may control its difficulties and inform the perceived benefits of the PCS to a subject.

Application of AIG Implemented within CLASS Software for Generating Cognitive Test Item Models

  • SA, Seungyeon;RYOO, Hyun Suk;RYOO, Ji Hoon
    • Educational Technology International
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    • 제23권2호
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    • pp.157-181
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    • 2022
  • Scale scores for cognitive domains have been used as an important indicator for both academic achievement and clinical diagnosis. For example, in education, Cognitive Abilities Test (CogAT) has been used to measure student's capability in academic learning. In a clinical setting, Cognitive Impairment Screening Test utilizes items measuring cognitive ability as a dementia screening test. We demonstrated a procedure of generating cognitive ability test items similar as in CogAT but the theory associated with the generation is totally different. When creating cognitive test items, we applied automatic item generation (AIG) that reduces errors in predictions of cognitive ability but attains higher reliability. We selected two cognitive ability test items, categorized as a time estimation item for measuring quantitative reasoning and a paper-folding item for measuring visualization. As CogAT has widely used as a cognitive measurement test, developing an AIG-based cognitive test items will greatly contribute to education field. Since CLASS is the only LMS including AIG technology, we used it for the AIG software to construct item models. The purpose of this study is to demonstrate the item generation process using AIG implemented within CLASS, along with proving quantitative and qualitative strengths of AIG. In result, we confirmed that more than 10,000 items could be made by a single item model in the quantitative aspect and the validity of items could be assured by the procedure based on ECD and AE in the qualitative aspect. This reliable item generation process based on item models would be the key of developing accurate cognitive measurement tests.

사상체질과 임상검사 결과와의 상관관계 (The relationship between the sasangchaejil and the results of laboratory examinations)

  • 이용구;설인찬
    • 혜화의학회지
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    • 제8권2호
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    • pp.383-397
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    • 2000
  • Background/Aims: Dong-Moo Lee Jae-Ma(1837-1900) confirmed the sasangchaejil theory based on the sasang-medicine. This theory has been the main-stem of oriental medicine during 100 years in Korea. But rarely anyone has tried to prove this theory systemicaly. So we have a trial to clarify any relationship between the sasangchaejil and the laboratory and clinical results of mass screening tests. Methods: We evaluated the laboratory values of 280 people who had taken many clinical and laboratory tests. The laboratory examinations were complete blood count, liver and kidney function test, ultrasonogram of the abdomen and breasts, gastrofiberscope, many tumor markers body mass index, blood pressure, glucose, and electrocardiogram, etc. Results: 1) Among the 280 subjects, 187/66.8% were sowumin, 58/20.7% were taewumin and 35/12.5% were soyangin. 2) Those who reacted positive to HBsAb were 22 subjects(62.8%) in soyangin, 57.2% in sowumin and 55.1% in raewumin. But there were no significant correlations. 3) 45 subjects(72.4%) in taewumin had obesity, fatty liver and hyperlipidemia.(P<0.05) 4) 20.6% in taewumin had abnormal LFT suggesting hepatic disease. It was statistically sigificant.(P<0.05) 5) An anemic state was present in women of soyangin and sowumin mostly. Since an iron deficiency anemia is common in women, there were no significant corelations among sasangchaejil. Also urinary tract infectons were common in women. 6) 6 subjects in taewumin(10.3%) had cardiac problems, while only one case(2.8%) occured in soyangin and 7 cases(3.7%) in sowumin. Taewumin was significantly high.(P<0.05) 7) In the case of gastric disease, there was no distinguishable difference among sasangchaejil.(taewumin 37.9%, soyangin 31.4% and sowumin 35.2% rrespectively) 8) There was no significant difference beteen subjects with different blood types using sasangchaejil. Conclusions: There were some significant relationship between sasangchaejil and diseases prevalent to them by the theory of sasang-medicine. But Lee didn't considered the differences of gender, the change of body status according to the development of culture, and circumstances of their lives. Also he didn't consider the existence of infectious agents. Now more systemic study with larger populations are requied.

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한국어판 욕창예방지식도구의 고전검사이론과 문항반응이론을 적용한 문항분석, 타당도와 신뢰도 (Item Analysis using Classical Test Theory and Item Response Theory, Validity and Reliability of the Korean version of a Pressure Ulcer Prevention Knowledge)

  • 강명자;김명수
    • Journal of Korean Biological Nursing Science
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    • 제20권1호
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    • pp.11-19
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    • 2018
  • Purpose: The purposes of this study were to perform items analysis using the classical test theory (CTT) and the item response theory (IRT), and to establish the validity and reliability of the Korean version of pressure ulcer prevention knowledge. Methods: The 26-item pressure ulcer prevention knowledge instrument was translated into Korean, and the item analysis of the 22 items having an adequate content validity index (CVI), was conducted. A total of 240 registered nurses in 2 university hospitals completed the questionnaire. Each item was analyzed applying CTT and IRT according to 2-parameter logistic model. Response alternatives quality, item difficulty and item discrimination were evaluated. For testing validity and reliability, Pearson correlation coefficient and Kuder Richardson-20 (KR-20) were used. Results: Scale CVI was .90 (Item-CVI range= .75-1.00). The total correct answer rate for this study population was relatively low as 52.5%. The quality of response alternatives was found to be relatively good (range= .02-.83). The item difficulty of the questions ranged form .10 to .86 according to CTT and -12.19 to 29.92 according to the IRT. This instrument had 12-low, 2-medium and 8-high item difficulty applying IRT. The values for the item discrimination ranged .04-.57 applying CTT and .00-1.47 applying IRT. And overall internal consistency (KR-20) was .62 and stability (test-retest) was .82. Conclusion: The instrument had relatively weak construct validity, item discrimination according to the IRT. Therefore, the cautious usage of a Korean version of this instrument would be recommended for discrimination because there are so many attractive response alternatives and low internal consistency.

Complete Relaxation and Conformational Exchange Matrix (CORCEMA) Analysis of Saturation Transfer Difference (STD) NMR Spectra of Ligand-Protein Complexes

  • Krishna, N.Rama;Jayalakshmi, V.
    • 한국자기공명학회논문지
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    • 제6권2호
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    • pp.94-102
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    • 2002
  • An interesting recent application of intermolecular NOE experiment is the saturation transfer difference NMR(STD-NMR) method that is useful in screening compound libraries to identify bio-active ligands. This technique also identifies the group epitopes of the bound ligand in a reversibly forming protein-ligand complex. We present here a complete relaxation and conformational exchange matrix (CORCEMA) theory (Moseley et al., J. Magn. Reson. B, 108, 243-261 (1995)) applicable for the STD-NMR experiment. Using some ideal model systems we have analyzed the factors that influence the STD intensity changes in the ligand proton NMR spectrum when the resonances from some protons on the receptor protein are saturated. These factors will be discussed and some examples of its application in some model systems will be presented. This CORCEMA theory for STD-NMR and the associated algorithm are useful in a quantitative interpretation of the STD-NMR effects, and are likely to be useful in structure-based drug design efforts. They are also useful in a quantitative characterization of protein-protein (or protein-nucleic acid) contact surfaces from an intermolecular cross-saturation NMR experiment.

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장애인 임금근로자의 직업능력이 고용의 질에 미치는 영향 (The Effect of Disabled Wage Workers' Occupational Ability on Job Quality)

  • 전명숙;정원철
    • 한국콘텐츠학회논문지
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    • 제17권4호
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    • pp.83-94
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    • 2017
  • 본 연구는 장애인 임금근로자의 직업능력과 고용의 질 간의 관계를 분석하여 장애인의 직업교육과 고용정책의 중요한 정보를 제공하고자 하였다. 이를 위해 인적자본이론 및 선별이론, 직무경쟁이론을 바탕으로 직업능력과 고용의 질 간의 관계를 이론적으로 검토하고, 실증분석 하였다. 실증분석은 장애인고용패널 제8차년도(2015년)자료를 활용하여 장애인 임금근로자 975명의 자료를 분석하였다. 연구결과 장애인 임금근로자의 직업능력은 고용의 질의 임금, 종사자지위, 직무만족을 결정하는 중요한 요인임이 밝혀졌다. 이와 같은 결과는 장애인의 직업능력향상을 통하여 고용의 질을 개선할 수 있다는 것을 보여주는 결과이다. 이에 본 연구에서는 장애인 직업능력 향상을 위한 맞춤형 교육과 교육시설의 확대가 필요하다는 점을 제안하였다.

Your Expectation Matters When You Read Online Consumer Reviews: The Review Extremity and the Escalated Confirmation Effect

  • Lee, Jung;Lee, Hong Joo
    • Asia pacific journal of information systems
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    • 제26권3호
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    • pp.449-476
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    • 2016
  • This study examines how an initially perceived product value affects consumer's purchase intention after reading online reviews with various tones. The study proposes that associations among initially perceived overall product value, degree of confirmation resulting from reading the reviews, and final purchase intention differ across review tones such that 1) when the tone is favorable, the effect of an initially perceived product value is stronger than when the tone is critical, and 2) when the tone is extreme, the effect of confirmation is stronger than when the tone is moderate. The survey was conducted with 276 online shopping mall users in Korea, and most of the hypotheses were supported. This study asserts that the effects of online reviews should be considered together with customer's level of expectation formed prior to reading online reviews, which resulted from extensive search and screening processes that the customer went through before reading online reviews.

A New Approach for Selecting Fractional Factorial Designs

  • Park, Dong-Kwon;Kim, Hyoung-Soon
    • Journal of the Korean Data and Information Science Society
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    • 제14권3호
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    • pp.707-714
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    • 2003
  • Because of complex aliasing, nonregular designs have traditionally been used for screening only main effects. However, complex aliasing actually may allow some interactions entertained and estimated without making additional runs. According to hierarchical principle, the minimum aberration has been used as an important criterion for selecting regular fractional factorial designs. The criterion is not applicable to nonregular designs. In this paper, we give a criterion for choosing fractional factorial designs based on the fan theory. The criterion is focused on the partial ordering given by set inclusion on estimable sets which is called leaves.

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