• Title/Summary/Keyword: Activity-3D Model Relationship

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Effect of Ion Pair on Thermostability of F1 Protease: Integration of Computational and Experimental Approaches

  • Rahman, Raja Noor Zaliha Raja Abd;Noor, Noor Dina Muhd;Ibrahim, Noor Azlina;Salleh, Abu Bakar;Basri, Mahiran
    • Journal of Microbiology and Biotechnology
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    • v.22 no.1
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    • pp.34-45
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    • 2012
  • A thermophilic Bacillus stearothermophilus F1 produces an extremely thermostable serine protease. The F1 protease sequence was used to predict its three-dimensional (3D) structure to provide better insights into the relationship between the protein structure and biological function and to identify opportunities for protein engineering. The final model was evaluated to ensure its accuracy using three independent methods: Procheck, Verify3D, and Errat. The predicted 3D structure of F1 protease was compared with the crystal structure of serine proteases from mesophilic bacteria and archaea, and led to the identification of features that were related to protein stabilization. Higher thermostability correlated with an increased number of residues that were involved in ion pairs or networks of ion pairs. Therefore, the mutants W200R and D58S were designed using site-directed mutagenesis to investigate F1 protease stability. The effects of addition and disruption of ion pair networks on the activity and various stabilities of mutant F1 proteases were compared with those of the wild-type F1 protease.

Meeting Recommended Levels of Physical Activity in Relation to Preventive Health Behavior and Health Status Among Adults

  • Hart, Peter D.;Benavidez, Gabriel;Erickson, James
    • Journal of Preventive Medicine and Public Health
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    • v.50 no.1
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    • pp.10-17
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    • 2017
  • Objectives: The purpose of this study was to examine the relationship of meeting the recommended levels of physical activity (PA) with health status and preventive health behavior in adults. Methods: A total of 5630 adults 18 years of age or older were included in this study. PA was assessed using a series of questions that categorized activities based on their metabolic equivalent values and then categorized individuals based on the reported frequency and duration of such activities. Participants reporting 150 minutes or more of moderate-intensity PA per week were considered to have met the PA guidelines. Multiple logistic regression was used to model the relationships between meeting PA guidelines and health status and preventive health behavior, while controlling for confounding variables. Results: Overall, 53.9% (95% confidence interval [CI], 51.9 to 55.9%) of adults reported meeting the recommended levels of PA. Among adults with good general health, 56.9% (95% CI, 54.7 to 59.1%) reported meeting the recommended levels of PA versus 43.1% (95% CI, 40.9 to 45.3%) who did not. Adults who met the PA guidelines were significantly more likely not to report high cholesterol, diabetes, chronic obstructive pulmonary disease, arthritis, asthma, depression, or overweight. Furthermore, adults meeting the PA guidelines were significantly more likely to report having health insurance, consuming fruits daily, consuming vegetables daily, and not being a current cigarette smoker. Conclusions: In this study, we found meeting the current guidelines for PA to have a protective relationship with both health status and health behavior in adults. Health promotion programs should focus on strategies that help individuals meet the current guidelines of at least 150 minutes per week of moderate-intensity PA.

Three Dimensional Quantitative Structure-Activity Relationship Analyses on the Fungicidal Activities of New Novel 2-Alkoxyphenyl-3-phenylthioisoindoline-1-one Derivatives Using the Comparative Molecular Similarity Indices Analyses (CoMSIA) Methodology Based on the Different Alignment Approaches (상이한 정렬에 따른 비교분자 유사성 지수분석(CoMSIA) 방법을 이용한 새로운 2-Alkoxyphenyl-3-phenylthioisoindoline-1-one 유도체들의 살균활성에 관한 3차원적인 정량적 구조와 활성과의 관계)

  • Sung, Nack-Do;Yoon, Tae-Yong;Song, Jong-Hwan;Jung, Hoon-Sung
    • The Korean Journal of Pesticide Science
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    • v.9 no.1
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    • pp.26-34
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    • 2005
  • 3D-QSAR studies for the fungicidal activities against resistance phytophthora blight (RPC; 95CC7303) and sensitive phytophthora blight (Phytopthora capsici) (SPC; 95CC7105) by a series of new 2-alkoxyphenyl-3-phenylthioisoindoline-1-one derivatives (A & B) were studieded using comparative molecular similarity indices analyses (CoMSIA) methodology. From the based on the results, the two CoMSIA models, R5 and S1: as the best models were derivated. The statistical results of the models showed the best predictability and fitness for the fungicidal activities based on the cross- validated value ($q^2=0.714{\sim}0.823$) and non cross-validated, value ($r^2_{ncv.}=0.918{\sim}0.954$), respectively. The model R5 for fungicidal activity of RPC generated from the field fit alignment and combination of electrostatic field, H-bond acceptor field and LUMO molecular orbital field. The model S1 (or S5) for fungicidal activity of SPC generated from the atom based fit alignment and combination of steric field and HOMO molecular orbital field. The models also shows that inclusion of H-bond acceptor field (A) improved the statistical significance of the models. From the based graphical analyses of CoMSIA contribution maps, it was revealed that the novel selective character for fungicidal activities between the two fungi by modify of X-sub-stituent on the N-phenyl group and R-substituent on the S-phenyl group will be able to achivement.

Analysis of Elementary Students Modeling Using the Globe on the Cause of Seasonal Change (초등학생의 계절 변화 원인에 관한 지구본 활용 모델링 분석)

  • Suk, Yun Su;Yoon, Hye-Gyoung
    • Journal of Korean Elementary Science Education
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    • v.41 no.4
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    • pp.673-689
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    • 2022
  • To understand seasonal changes it is necessary to understand the relationship between celestial bodies in a three-dimensional space, and to this end, modeling activities in which students directly construct, use, evaluate, and modify three-dimensional models are important. In this study, the process of elementary school students using globes and light bulbs to model Earth's motion in a three-dimensional space as a cause of seasonal changes was analyzed. Seventeen sixth graders participated in the modeling process. After exploring phenomena and concepts related to seasonal change, students constructed models using globes and bulbs and used them to explain seasonal changes. Video data recording students' modeling process, students' activity sheets, and transcripts of post-interview were used as research data, and data triangulation was conducted. The modeling level analysis framework was also developed based on previous studies. In particular, the framework was developed in detail in this study in consideration of the concept of Earth's motion as well as understanding model and implementing modeling. In the final analysis framework, the 3D modeling level was classified from level 1 to level 3, and student performance that may appear at each level was specified. As a result of the study, there were two main levels of modeling using globes for elementary school students to explain seasonal changes. The rotation and tilt of the axis of rotation and revolution of the earth were considered but the level at which empirical evidence was not used (level 2), the level at which empirical evidence was used to explain seasonal chages (level 3). However, even when students use empirical evidence, it did not lead to the construction of a scientific model. In this study, the cause was explored in relation to the characteristics of the tool used for modeling.

Three Dimensional Quantitative Structure-Activity Relationship on the Fungicidal Activities of New Novel 2-Alkoxyphenyl-3-phenylthioisoindoline-1-one Derivatives Using the Comparative Molecular Field Analyses (CoMFA) Methodology Based on the Different Alignment Approaches (상이한 정렬에 따른 비교 분자장 분석(CoMFA) 방법을 이용한 새로운 2-Alkoxyphenyl-3-phenylthioisoindoline-1-one 유도체들의 살균활성에 관한 3차원적인 정량적 구조와 활성과의 관계)

  • Sung, Nack-Do;Yoon, Tae-Yong;Song, Jong-Hwan;Jung, Hoon-Sung
    • Applied Biological Chemistry
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    • v.48 no.1
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    • pp.82-88
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    • 2005
  • 3D QSAR studies for the fungicidal activities against resistive phytophthora blight (RPC; 95CC7303) and sensitive phytophthora blight (Phytopthora capsici) (SPC; 95CC7105) by a series of new 2-alkoxyphenyl-3-phenylthioisoindoline-1-one derivatives (X: A=propynyl & B=2-chloropropenyl) were studied using comparative molecular field analyses (CoMFA) methodology. The CoMFA models were generated from the two different alignment, atom based fit (AF) alignment and field fit (FF) alignment. The atom based alignment exhibited a higher statistical results than that of field fit alignment. The best models, A3 and A7 using combination fields of H-bond field, standard field, LUMO and HOMO molecular orbital field as additional descriptors were selected to improve the statistic of the present CoMFA models. The statistical results of the two models showed the best predictability of the fungicidal activities based on the cross-validated value $q^2\;(r^2_{cv.}=RPC:\;0.625\;&\;SPC:\;0.834)$, non cross-validated value $(r^2_{ncv.}=RPC:\;0.894\;&\;SPC:\;0.915)$ and PRESS value (RPC: 0.105 & SPC: 0.103), respectively. Based on the findings, the predictive ability and fitness of the model for SPC was better than that of the model for RPC. The fugicidal activities exhibited a strong correlation with steric $(66.8{\sim}82.8%)$, electrostatic $(10.3{\sim}4.6%)$ and molecular orbital field (SPC: HOMO, 12.6% and RPC: LUMO, 22.9%) factors of the molecules. The novel selective character for fungicidal activity between two fungi depend on the positive charge of ortho, meta-positions on the N-phenyl ring and size of hydrophilicity of a substituents on the S-phenyl ring.

The Effect of Theory of Planned Behavior of Customized Cosmetics According to Selection Attributes on Purchase Satisfaction Behavioral Intention (선택속성에 따른 맞춤형화장품의 계획행동이론이 구매만족행동의도에 미치는 영향)

  • Kim, So-Ye;Baek, Won-Jin;Kim, Hyeon-Gyeong;Han, Chae-Jeong
    • Journal of Convergence for Information Technology
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    • v.12 no.3
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    • pp.222-235
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    • 2022
  • The Government provides a financial assistance to stimulate firm R&D and innovation activities. Previous papers on the impact of public subsidies on firm R&D investments mainly had a focus on an individual policy tool regardless of potential impacts of other policy instruments. This study addresses this gap by examining the effects of policy mix regarding a subsidy and a tax credit. The empirical analyses from fixed effect model using Survey on Technology of SMEs 2015-2017 revealed valuable points. First, policy mix induces more R&D investment of SMEs, which in turn, shows a complementary relationship between two instruments. Second, even if impact of tax credit controlled, subsidy is positively associated with SMEs R&D investment. These findings justify policy mix interventions to promote SME R&D activity. Moreover, grants can be applied as a more useful policy tool for SMEs that are constrained by resources and capabilities.

CARIES PREDICTION MODEL USING LASER FLUORESCENCE (레이저 형광법을 이용한 우식유발 예측모형)

  • Lee, Sang-Ho;Lee, Chang-Seop;Jeong, Yeon-Hwa
    • Journal of the korean academy of Pediatric Dentistry
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    • v.28 no.1
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    • pp.16-24
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    • 2001
  • The purpose of this study was to evaluate the specificity, sensitivity, and diagnostic power of caries activity test using laser fluorescence. The subjects of this study were 50 children of $7\sim9$ years old. Fluorescence from initial carious lesion of teeth illuminated by an argon laser(480nm) was observed and photographed with barrier filter. Visual examination for the dDfFtT rate and Streptococcus mutans colony counting was done to evaluate correlation with caries activity test using laser fluorescence. Data analysis was accomplished by Axelsson's method. The results from the present study can be summarized as follows: 1. There was positive correlation $(\gamma=0.48)$ between laser fluorescence test and Streptococcus mutans count. And also positive correlation $(\gamma=0.39)$ exists between laser fluorescence test and dDfFtT rate (P<0.01). 2. Positive correlation $(\gamma=0.27)$ between Streptococcus mutans colony count and dDfFtT rate was found(P<0.05). 3. When dDfFtT rate was defined to standard testing method, the specificity, senstivity, and diagnostic power of laser fluorescence test were 44.4%, 85.7%, and 87.8%. 4. When dDfFtT rate was defined to standard testing method, the specificity, senstivity, and diagnostic power of S. mutans colony counting were 77.8%, 92.9%, 84.8%. 5. When S. mutans colony counting was defined to standard testing method, sensitivity, specificity and diagnostic power of laser fluorescence test were 40.0%, 84.8%, 95.1%. In regard to above results, laser fluorescence test considered to be accurate and reliable method for determining caries activity because of it's close relationship with caries susceptibility test and caries experience measurements. And it was also considered to be practical because it would be simple, inexpensive, and time saving method.

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Safety Evaluation of Individual Intersection Considering the Bio-Response (Electroencephalography) and the Cognitive Characteristics (생체반응(뇌파)과 인지평가 특성에 의한 개별 교차로 안전성 평가에 관한 연구)

  • Namgung, Moon;Lee, Byung Joo;Seo, Im Ki
    • KSCE Journal of Civil and Environmental Engineering Research
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    • v.30 no.3D
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    • pp.231-240
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    • 2010
  • As majority of the traffic accidents in intersections is caused by human factor, a close examination is required on its contributing factors through measuring the psychological and physiological response according to the driving characteristics of the drivers and the road conditions. In this study, for the safety evaluation of individual intersection considering human factors of the drivers, electroencephalography reaction was measured utilizing cutting-edge measuring equipment and survey on drivers' cognitive characteristics in ordinary times and while driving test was conducted. The relationship between the electroencephalography response when approaching the intersection and cognitive evaluation survey data in driving test was clarified, and individual intersection safety evaluation model was built considering cognitive evaluation factor and the reaction of a bio-response electroencephalography data. As a result, I could find out that cognitive evaluation was made through the reaction of a bio-response (Electroencephalography) process because electroencephalography reaction of a bio-response showed differently by the physical characteristics of the intersection and cognitive evaluation had a difference.

A Product Model Centered Integration Methodology for Design and Construction Information (프로덕트 모델 중심의 설계, 시공 정보 통합 방법론)

  • Lee Keun-Hyoung;Kim Jae-Jun
    • Proceedings of the Korean Institute Of Construction Engineering and Management
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    • autumn
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    • pp.99-106
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    • 2002
  • Researches on integration of design and construction information from earlier era focused on the conceptual data models. Development and prevalent use of commercial database management system led many researchers to design database schemas for enlightening of relationship between non-graphic data items. Although these researches became the foundation fur the proceeding researches. they did not utilize the graphic data providable from CAD system which is already widely used. 4D CAD concept suggests a way of integrating graphic data with schedule data. Although this integration provided a new possibility for integration, there exists a limitation in data dependency on a specific application. This research suggests a new approach on integration for design and construction information, 'Product Model Centered Integration Methodology'. This methodology achieves integration by preliminary research on existing methodology using 4D CAD concept. and by development and application of new integration methodology, 'Product Model Centered Integration Methodology'. 'Design Component' can be converted into digital format by object based CAD system. 'Unified Object-based Graphic Modeling' shows how to model graphic product model using CAD system. Possibility of reusing design information in latter stage depends on the ways of creating CAD model, so modeling guidelines and specifications are suggested. Then prototype system for integration management, and exchange are presented, using 'Product Frameworker', and 'Product Database' which also supports multiple-viewpoints. 'Product Data Model' is designed, and main data workflows are represented using 'Activity Diagram', one of UML diagrams. These can be used for writing programming codes and developing prototype in order to automatically create activity items in actual schedule management system. Through validation processes, 'Product Model Centered Integration Methodology' is suggested as the new approach for integration of design and construction information.

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The Search of Pig Pheromonal Odorants for Biostimulation Control System Technologies: Prediction of Pig Pheromonal Tetrahydrofuran-2-yl Family Compounds by Means of Ligand Based Approach (생물학적 자극 통제 수단으로 활용하기 위한 돼지 페로몬성 냄새 물질의 탐색: Ligand Based Approach에 의한 돼지 페로몬성 Tetrahydrofuran-2-yl 계 화합물의 예측)

  • Soung, Min-Gyu;Cho, Yun-Gi;Park, Chang-Sik;Sung, Nack-Do
    • Reproductive and Developmental Biology
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    • v.32 no.3
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    • pp.141-146
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    • 2008
  • To search a new porcine pheromonal odorant, the models of four type (2D-QSAR, HQSAR, CoMFA & CoMSlA) were derived from quantitative structure-activity relationship (QSAR) between tetrahydrofuran-2-yl family compounds and their observed binding affinity constants (Obs.p$[Od]_{50}$). The optimized CoMFA model (predictability; $r^{2}_{cv.}(q^2)$=0.886 & correlation coefficient: $r^{2}_{ncv.}$=0.984) from ligand based approaches was confirmed as the best model among them. The $N^{1}$-allyl-$N^{2}$-(tetrahydrofuran-2-yl)methyl)oxalamide (P1), 2-(4-trimethylammoniummethylcyclohexyloxy)tetrahydrofurane (P5) and 2-(3-trimethylammoniummethylcyclohexyloxy)tetrahydrofurane (P6) molecules predicted as porcine pheromonal odorant by the CoMFA model were showed relatively high binding affinity constant values (Pred.p$[Od]_{50}=8{\sim}10$) and very lower toxicity values against some sorts of toxicity.