• Bulletin of the Korean Chemical Society
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• v.32 no.11
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• pp.3973-3978
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• 2011

The reductive pinacol coupling reaction of aldehydes or ketones creating a new C-C bond has been a major tool to produce 1,2-diol compounds. The reaction mechanism is known to be composed of sequential three steps (activation, coupling, and dissociation). In this work, we studied the dissociation step of half-titanocene-based catalytic systems. Cp and $Cp^*$ derivatives of the pinacolato-bridged dinuclear complex were synthesized and evaluated as possible models for intermediates from the coupling step. We monitored $^1H$-NMR spectra of the reaction between the metalla-pinacol intermediates and $D_2O$. New reaction routes of the dissociation step including oxo- and pinacolato-dibridged dinuclear complexes and oxo-bridged multinuclear complexes have been suggested.

• Molecular & Cellular Toxicology
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• v.4 no.2
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• pp.170-176
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• 2008

The quantitative structure-activity relationship (QSAR) of a set of 35 flavonoid compounds presenting antioxidant activity was established by means of Genetic Algorithm-Multiple Linear Regression (GA-MLR) technique. Four-parametric models for two sets of data, the 1,1-diphenyl-2-picryl hydrazyl (DPPH) radical scavenging activity $(R^2=0.788,\;Q^2_{cv}=0.699\;and\;Q^2_{ext}=0.577)$ and scavenging activity of reactive oxgen species (ROS) induced by $H_2O_2 (R^=0.829,\;Q^2_{cv}=0.754\;and\;Q^2_{ext}=0.573)$ were obtained with low external predictive ability on a mass basis, respectively. Each model gave some different mechanistic aspects of the flavonoid compounds tested in terms of the radical scavenging activity. Topological charge, H-bonding complex and deprotonation processes were likely to be involved in the radical scavenging activity.

• Nuclear Engineering and Technology
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• v.29 no.2
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• pp.99-109
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• 1997

A dynamic model for hydrogen generation by Fuel-Coolant Interactions(FCI) is developed with separate models for each FCI stage, coarse mixing and stratification. The model includes the physical concept of FCI, semi-empirical heat and mass transfer correlation and the concentration diffusion equation with the general non-zero boundary condition. The calculated amount of hydrogen, which is mainly generated in stratification, is compared with the FITS experiments. The model developed in this study shows a good agreement within a range of 10 % fuel oxidation rate and predicts the controlled mechanism of the chemical reaction very well. And this model predicts more accurately than the previous works. It is shown from the sensitivity study that the higher initial temperature of fuel particle is, the larger the reaction rate is. Up to 2700 K of temperature of the particle, the reaction rate increases rapid, which can lead to metal ignition.

• Proceedings of the Korea Concrete Institute Conference
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• 1999.04a
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• pp.229-232
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• 1999

Nuclear power plant structures may be exposed to aggressive environmental effects that may cause their damage mechanisms are reasonably well understood and quantitative evaluation of their effects on time-dependent structural behavior is possible in some instances, such evaluations are generally very difficult and remain novel. The assessment of existing steel containment in nuclear power plants for continued service must provide quantitative evidence that they are able to withstand future extreme loads during a service period with an acceptable level of reliability. Rational methodologies to perform the reliability assessment can be developed from mechanistic models of structural deterioration, using time-dependent structural reliability analysis to take loading and strength uncertainties into account. The final goal of this study is to develop the analysis method for the analysis for the reliability of containment structures. The cause and mechanism of corrosion is first clarified and the reliability assessment method has been established. By introducing the equivalent normal distribution, the procedure of reliability analysis which can determine the failure probabilities has been established.

• Proceedings of the Korean Society of Machine Tool Engineers Conference
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• 2001.04a
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• pp.447-452
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• 2001

In most of the existing mechanistic models, the cutting process simulation is often restricted to a single path machining operation under a fixed cutting condition. Complex cutting processes such as die or mold manufacturing, however, are performed under two- or three-dimensional multiple tool paths. Since the tool paths in CNC machining are composed of line and arc segments, transient cuts are frequently occured due to the multiple paths. Even in steady cuts, the width of cut is varied with each segment. In this regard, this paper deals with the development of process simulation system for transient cuts, where continuously changing cutting configuration is computed, and then the cutting forces are predicted.

• Toxicological Research
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• v.8 no.2
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• pp.317-329
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• 1992

Fifty chemicals are currently classified as human carcinogens based on epidemiologic and animal data. Humans are daily exposed to them from various sources of exposure via inhalation, dermal contact and oral ingestion. To reduce cancer risk to man, these human carcinogens should be appropriately regulated and monitored environmentally or biologically for routine human cancer risk assessment. A number of mathematical risk assessment models have been introduced, but any realistic and relevant model system is not available for humans. A mechanistic process for human cancer risk assessment was comprehensively reviewed and problems were also discussed. Here, a new conceptual approach using epidemiology and biological human monitoring was suggested for the most relevant method to study human cancer risk assessment.

• Nuclear Engineering and Technology
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• v.46 no.2
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• pp.159-168
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• 2014

In order to advance understanding of the breakaway swelling behavior of U-Mo/Al dispersion fuel under a high-power irradiation condition, the effects of fuel-matrix interaction on the fuel performance of U-Mo/Al dispersion fuel were investigated. Fission gas release into large interfacial pores between interaction layers and the Al matrix was analyzed using both mechanistic models and observations of the post-irradiation examination results of U-Mo dispersion fuels. Using the model predictions, advantageous fuel design parameters are recommended to prevent breakaway swelling.

• Nuclear Engineering and Technology
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• v.32 no.6
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• pp.549-558
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• 2000

A transient model for hydrogen generation in molten metal-water interactions was developed with separate models for two stages of coarse mixing and stratification. The model selves the mechanistic equations (heat and mass transfer correlation, heat conduction equation and the concentration diffusion equation) of each stage with non-zero boundary conditions. Using this model, numerical simulations were performed for single droplet experiments in the Argonne National Laboratory tests and for FITS tests that simulated dynamic fragmentation and stratification. The calculation results of hydrogen generation showed better agreement to the experiment data than those of previous works. It was found from the analyses that the steam concentration to be reached at the reaction front might be the main constraint to the extent of the metal droplet oxidized. Also, the hydrogen generation rate in the coarse mixing stage was the higher than that in the stratification stage. The particle size was the most important factor in the coarse mixing stage to predict the amount of hydrogen generation.

• Development and Reproduction
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• v.21 no.4
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• pp.351-359
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• 2017

Implantation is a highly organized process that involves an interaction between a receptive uterus and a competent blastocyst. In humans, natural fecundity suggests that the chance of conception per cycle is relatively low (~30%) and two-third of lost pregnancies occur because of implantation failure. Defective implantation leads to adverse pregnancy outcomes including infertility, spontaneous miscarriage, intrauterine fetal growth restriction and preeclampsia. With use of advanced scientific technologies, gene expression analysis and genetically-engineered animal models have revealed critical cellular networks and molecular pathways. But, because of ethical restrictions and the lack of a mechanistic experiment, comprehensive steps in human implantation have still not been completely understood. This review primarily focuses on the recent advances in mechanisms of implantation. Because infertility is an emerging issue these days, gaining an understanding the molecular and hormonal signaling pathway will improve the outcome of natural pregnancy and assisted reproductive technology.

• Nuclear Engineering and Technology
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• v.54 no.2
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• pp.546-553
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• 2022

Narrow rectangular channels are employed in nuclear research reactors that use plate-type nuclear fuels, high heat-flux compact heat exchangers, and high-performance micro-electronics cooling systems. Two-phase flow in narrow rectangular channels is important, and it needs to be better understood because it is considerably different than that in round tubes. In this study, mechanistic models were developed for the flow regime transition criteria for various flow regimes in co-current air-water two-phase flow for vertical downward flow inside a narrow rectangular channel. The newly developed criteria were compared to a flow regime map of downward air-water two-phase flow inside a narrow rectangular channel with a 2.35-mm gap width under ambient temperature and pressure conditions. Overall, the proposed model showed good agreement with the experimental data.