• Bulletin of the Korean Chemical Society
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• v.32 no.12
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• pp.4195-4198
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• 2011

Intramolecular ${\pi}-{\pi}$ and ${\sigma}-{\pi}$ interactions are omnipresent for numerous energetic and structural phenomena in nature, and the exact description of these nonbonding interactions plays an important role in the accurate prediction of the three-dimensional structures for numerous interesting molecular systems such as protein folding and polymer shaping. We have selected two prototype molecular systems for benchmarking calculations of intramolecular ${\pi}-{\pi}$ and ${\sigma}-{\pi}$ interactions. Accurately describing conformational energy of such systems requires highly elaborate but very expensive ab initio methods such as coupled cluster singles, doubles, and (triples) (CCSD(T)). Our calculations reveal a double hybrid density functional incorporating dispersion correction (B2PLYP-D) that agrees excellently with the CCSD(T) results, indicating that B2PLYP-D can serve as a practical method of choice.

• Bulletin of the Korean Chemical Society
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• v.32 no.4
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• pp.1231-1236
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• 2011

Chiral discrimination is the ability to distinguish one enantiomeric form over another. The differential binding interaction between two molecules with the same helicity and those with the opposite helicity was investigated by using dispersion-corrected density functional theory. [5]helicene, tetrahydro[5]helicene and the polar D-${\pi}$-A compounds, 3,12-dimethoxy-7,8-dicyano-[5]helicene and 3,12-dimethoxy-7,8-dicyano-tetrahydro[5]helicene were the monomers considered in this study. In gas phase, the dimeric interaction from two helical molecules with the opposite handedness is greater than from those with the same handedness. The stable configurations of such dimers were identified. The most stable configuration tends to be the one with maximum contact between monomers.

• Coupled systems mechanics
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• v.6 no.3
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• pp.369-376
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• 2017

Intermolecular interaction energies and conformer geometries of the hydrogen bonded acrylamide dimers have been studied by using the second-order Møller-Plesset (MP2) perturbation theory and the density functional theory (DFT) with 17 density functionals. Dunning's correlation consistent basis sets (up to aug-cc-pVTZ) have been used to study the basis set effects. The DFT calculated interaction energies are compared to the reference energy data calculated by the MP2 method and the coupled cluster method at the complete basis set (CCSD(T)/CBS) limit in order to determine the relative performance of the studied density functionals. Overall, dispersion-energy-corrected density functionals outperform uncorrected ones. The ${\omega}B97XD$ density functional is particularly effective in terms of both accuracy and computational cost in estimating the reference energy values using small basis sets and is highly recommended for similar calculations for larger systems.

• The Journal of Fisheries Business Administration
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• v.44 no.2
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• pp.51-68
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• 2013

The objective of this study is to analyze how consumption value affects customer satisfaction toward eco-friendly seafood products. Moderating role of gender is also examined. For empirical validation of our model, data were collected from a cross-sectional survey of 307 consumers in the South Korea, who have bought a eco-friendly seafood, a representatives eco-friendly product. The results demonstrated several important findings. First, emotional consumption value, social consumption value and functional consumption value had significant positive effects on eco-friendly seafood product satisfaction, Second, interaction effect of social value and gender had a positive effect on satisfaction. Third, interaction effect of functional value and gender had a negative effect on satisfaction. Theoretical and managerial implications are suggested.

• Genomics & Informatics
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• v.18 no.4
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• pp.39.1-39.8
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• 2020

Alzheimer's disease (AD) is a chronic, progressive brain disorder that slowly destroys affected individuals' memory and reasoning faculties, and consequently, their ability to perform the simplest tasks. This study investigated the hub genes of AD. Proteins interact with other proteins and non-protein molecules, and these interactions play an important role in understanding protein function. Computational methods are useful for understanding biological problems, in particular, network analyses of protein-protein interactions. Through a protein network analysis, we identified the following top 10 hub genes associated with AD: PTGER3, C3AR1, NPY, ADCY2, CXCL12, CCR5, MTNR1A, CNR2, GRM2, and CXCL8. Through gene enrichment, it was identified that most gene functions could be classified as integral to the plasma membrane, G-protein coupled receptor activity, and cell communication under gene ontology, as well as involvement in signal transduction pathways. Based on the convergent functional genomics ranking, the prioritized genes were NPY, CXCL12, CCR5, and CNR2.

• Journal of the Korea Convergence Society
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• v.10 no.12
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• pp.101-108
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• 2019

Family tourism has become the mainstream demand of the tourism market, and it is also an effective way to obtain happiness. This paper takes family tourists as the research object, takes the family tourism family affection interaction behavior and the experience value relationship as the link, Empirically tests the family tourism "interaction behavior-social support-experience value" conceptual model and the relationship hypothesis. The results showed that interaction of family affection had a positive and significant effect on the functional, cognitive and emotional experience value of family tourists. Family interaction in family tourism has a significant positive impact on social support. Social support has significant positive effects on functional, cognitive, emotional and overall experiential values. This conclusion expands the theoretical and empirical research on the relationship between interaction behavior and experience value, and provides a basis for understanding the interaction behavior and experience value of family love from the perspective of tourism experience essence.

• Journal of the Korean Magnetics Society
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• v.19 no.5
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• pp.157-160
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• 2009

We have studied electronic structures and magnetic properties of one dimensional Ge chain nanoclusters using OpenMX method based on densty functional method. The calculation results show the strong antiferromagnetic interaction between Cr and Ge atoms. The magnetic interaction between Ge and Ge atoms are almost antiferromagnetic behaviors. The magnetic exchange interaction are occurred over the sevaral Ge atom layers. The magnitude of this interaction depends number of Ge atom.

• Korean Journal of Childcare and Education
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• v.12 no.5
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• pp.115-136
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• 2016

The purpose of this study was to examine the main and interaction effects of fathers' parenting and their play participation on emotional regulation of preschoolers. The participants of this study consisted of 269 preschoolers (M: 61.4 months, SD: 15.3) located in Seoul and Gyeong-gi province. The results of regression analysis revealed that; 1) Father's parenting (such as rational instruction, friendly attitude) positively predicted child's emotion regulations. 2) The interaction effects of fathers' parenting (such as parenting participation, reaction, rational instruction, friendly attitude) with their constructive play participation predicted children's emotion regulations. Namely, fathers with higher constructive play participation showed higher emotion regulations of preschoolers under father's parenting participation, reaction, rational instruction and friendly attitude. 3) The interaction effects between fathers' functional play participation and father's parenting participation predicted children's emotion regulations. Findings indicate that fathers play a role in improving children's emotion regulation by parenting. Moreover, its effects appeared more apparently when fathers participated with constructive and functional play methods. In conclusion, it is suggested that fathering and the level of play involvement may be key variables for developing young children's emotion regulation.

• Journal of Information Processing Systems
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• v.8 no.3
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• pp.459-470
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• 2012

Recently, high-throughput technologies such as the two-hybrid system, protein chip, Mass Spectrometry, and the phage display have furnished a lot of data on protein-protein interactions (PPIs), but the data has not been accurate so far and the quantity has also been limited. In this respect, computational techniques for the prediction and validation of PPIs have been developed. However, existing computational methods do not take into account the fact that a PPI is actually originated from the interactions of domains that each protein contains. So, in this work, the information on domain modules of individual proteins has been employed in order to find out the protein interaction relationship. The system developed here, WASPI (Web-based Assistant System for Protein-protein interaction Inference), has been implemented to provide many functional insights into the protein interactions and their domains. To achieve those objectives, several preprocessing steps have been taken. First, the domain module information of interacting proteins was extracted by taking advantage of the InterPro database, which includes protein families, domains, and functional sites. The InterProScan program was used in this preprocess. Second, the homology comparison with the GO (Gene Ontology) and COG (Clusters of Orthologous Groups) with an E-value of $10^{-5}$, $10^{-3}$ respectively, was employed to obtain the information on the function and annotation of each interacting protein of a secondary PPI database in the WASPI. The BLAST program was utilized for the homology comparison.

• The Journal of Korean Physical Therapy
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• v.11 no.3
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• pp.23-36
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• 1999

The very definitions of posture and balance have changed, as has our understanding of the underlying neural mechanisms, In rehabilitation science, there awe at least two different conceptual theories to describe the neural control of posture and balance : the reflex/hierarchical theory and system theory. A reflex/hierarchical theory suggests the posture and balance result from hierarchically organized reflex responses triggered by independent sensory systems. The systems approach suggests that action emerges from an interaction of the individual with the task and environment. That is to say, the systems approach implies that the ability to control our body's position in space emerges from a complex interaction of musculoskeletal and neural systems, collectively referred to as the postural control system. The specific organization of postural systems determined both by the functional task and the environment in which it is being performed, The postural control system is divided into three basic functional components for assessment : 1) musculoskeletal components, 2) motor coordination components, and 3) sensory organization components. It is proposed that a systemic functional understanding of human balance is critical to effective programs for balance rehabilitation. Thus, this article briefly reviews the basic functional components to consider in designing treatment plan and for the benefit of the balance assessment.