• Journal of Integrative Natural Science
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• v.10 no.4
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• pp.175-191
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• 2017

In organic chemistry amide synthesis is performed through condensation of a carboxylic acid and an amine with releasing one equivalent of water via the corresponding ammonium carboxylate salt. This method is suffering from tedious processes and poor atom-economy due to the adverse thermodynamics of the equilibrium and the high activation barrier for direct coupling of a carboxylic acid and an amine. Most of the chemical approaches to amides formations have been therefore being developed, they are mainly focused on secondary amides. Direct carbonylations of tertiary amines to amides have been an exotic field unresolved, in particular direct carbonylation of trimethylamine in lack of commercial need has been attracted much interests due to the versatile product of N,N-dimethylacetamide in chemical industries and the activation of robust N-C($sp^3$) bond in tertiary amine academically. This review is focused mainly on carbonylation of trimethylamine as one of the typical tertiary amines by transition metals of cobalt, rhodium, platinum, and palladium including the role of methyl iodide as a promoter, the intermediate formation of acyl iodide, the coordination ability of trimethylamine to transition metal catalysts, and any possibility of CO insertion into the bond of Me-N in trimethylamine. In addition reactions of acyl halides as an activated form of acetic acid with amines are reviewed in brief since acyl iodide is suggested as a critical intermediate in those carbonylations of trimethylamine.

• Journal of Life Science
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• v.9 no.2
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• pp.44-48
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• 1999

The ionization of tyrosine residue is known to be involved in the stabilization of transition-state in catalysis of astacin based upon the astacin-transition state analog structure. Two tyrosine residues, Tyr-216 and Tyr-219, are conserved in all MMPs related with astacin family, We replaced Tyr-216 and Tyr-219 into phenylalanine, respectively and the zinc binding properties, kinetic parameters, and pH dependence of each mutant are determined in order to examine the role of tyrosine residue in matrilysin catalysis. Both mutants contain two zinc atoms per mol of enzyme, indicating that either tyrosime does not affect the zinc binding property of the enzyme. Y216F and Y219F mutants are highly active and the kcat/Km values are only decreased 1.1-1.5-fold compared to the wild-type enzyme. The decrease in the activity of the mutants is essentially due to the increase in Km value. The pH dependencies of the kcat/Km values for both mutants are similar to the corresponding dependencies obtained with the wild type enzyme. The pKa values at the alkaline side of both mutants are not changed. These kinetic and pH dependence results indicate that the ionization of active site tyrosine residue of matrilysin is not reflected in the kinetics of peptide hydrolysin as catalyzed by astacin.

• Nuclear Engineering and Technology
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• v.44 no.8
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• pp.871-888
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• 2012

This paper aims at presenting the state of the art, the recent progress, and the perspective for the future, in the modelling of two-phase flow in the horizontal legs of a PWR. All phenomena relevant for safety analysis are listed first. The selection of the modelling approach for system codes is then discussed, including the number of fluids or fields, the space and time resolution, and the use of flow regime maps. The classical two-fluid six-equation one-pressure model as it is implemented in the CATHARE code is then presented and its properties are described. It is shown that the axial effects of gravity forces may be correctly taken into account even in the case of change of the cross section area or of the pipe orientation. It is also shown that it can predict both fluvial and torrential flow with a possible hydraulic jump. Since phase stratification plays a dominant role, the Kelvin-Helmholtz instability and the stability of bubbly flow regime are discussed. A transition criterion based on a stability analysis of shallow water waves may be used to predict the Kelvin-Helmholtz instability. Recent experimental data obtained in the METERO test facility are analysed to model the transition from a bubbly to stratified flow regime. Finally, perspectives for further improvement of the modelling are drawn including dynamic modelling of turbulence and interfacial area and multi-field models.

• Proceedings of the Korean Society of Crop Science Conference
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• 2017.06a
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• pp.87-87
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• 2017

Flowering time of either early or late is one of the crucial parameters that determine the crop productivity. Therefore, elucidation of regulatory mechanisms of flowering time should contribute to breeding for yield enhancement. However, comprehensive explanation on molecular mechanism of flowering has not yet been reported in hexaploidy common wheat (Triticum asetivum L.). The mechanism of flowering in wheat has been studied mostly using flag leaf or floral meristem. The exposed peduncle, which is a shoot part between bottom of the spike and flag leaf, could be an important tissue that is responsible for flowering through various molecules expressing. To clarify for transcriptomic dynamics in the wheat peduncle that was uncovered by leaf sheath of flag leaf, RNA sequencing and transcriptomic analysis were conducted. With this, we also analyzed other transcriptomic results deposited in the public DB to identify genes specially expressed in peduncle tissue at transition from vegetative to reproductive phase. The obtained results will provide valuable information to understand the role of peduncle for flowing regulation in wheat aimming for elucidation of the regulatory mechanism of wheat flowering.

• Biomolecules & Therapeutics
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• v.26 no.1
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• pp.29-38
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• 2018

During cancer progression, cancer cells are repeatedly exposed to metabolic stress conditions in a resource-limited environment which they must escape. Increasing evidence indicates the importance of nicotinamide adenine dinucleotide phosphate (NADPH) homeostasis in the survival of cancer cells under metabolic stress conditions, such as metabolic resource limitation and therapeutic intervention. NADPH is essential for scavenging of reactive oxygen species (ROS) mainly derived from oxidative phosphorylation required for ATP generation. Thus, metabolic reprogramming of NADPH homeostasis is an important step in cancer progression as well as in combinational therapeutic approaches. In mammalian, the pentose phosphate pathway (PPP) and one-carbon metabolism are major sources of NADPH production. In this review, we focus on the importance of glucose flux control towards PPP regulated by oncogenic pathways and the potential therein for metabolic targeting as a cancer therapy. We also summarize the role of Snail (Snai1), an important regulator of the epithelial mesenchymal transition (EMT), in controlling glucose flux towards PPP and thus potentiating cancer cell survival under oxidative and metabolic stress.

• Proceedings of the Korean Institute of Surface Engineering Conference
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• 2017.05a
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• pp.126-126
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• 2017

Using first principles calculations we unveil fundamental mechanism of hydrolysis reactions of two hazardous chemicals $PCl_3$ and $POCl_3$ with molecular water clusters nearby. It is found that the water molecules play a key role as a catalyst significantly lowing the activation barriers by transferring its protons to the reaction intermediates. Interestingly, torsional angles of molecular complexes at transition states are identified as a vital descriptor on the reaction rate. Analysis of charge distribution over the complexes further reinforces the finding with atomic level correlation between the torsional angle and variation of the orbital hybridization state of P in the complex. Electronic charge separation (or polarization) enhances thermodynamic stability of the activated complex at transition state and reduces the activation energy through hydrogen bonding network with water molecules nearby. Calculated potential energy surfaces (PES) for the hydrolysis reactions of $PCl_3$ and $POCl_3$ depict their two contrastingly different profiles of double- and triple-deep wells, respectively. It is ascribed to the unique double-bonding O=P in the $POCl_3$. Our results on the activation free energy show well agreements with previous experimental data within $7kcalmol^{-1}$ deviation.

• Journal of Korean Society of Water and Wastewater
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• v.25 no.4
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• pp.555-564
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• 2011

The photocatalytic degradation of trichloroethylene (TCE) in $TiO_2$ aqueous suspension has been studied. $TiO_2$ photocatalysts are prepared by a sol-gel method. The dominant anatase-structure on $TiO_2$ particles is observed after calcining the $TiO_2$ get at $500^{\circ}C$ for 1hr. The Langmuir-Hinshelwood model is applicable to describe the photodegradation, which indicates that adsorptionof the solute on the surface of $TiO_2$ particles plays an important role in photodegradation. Photocatalysts with various transition metals (Nd, Pd and Pt) loading are tested to evaluate the effect of transition metal impurities on photodegradation. The photodegradation efficiencies with $TiO_2$ including Pt, Pd and Nd are lower than pure $TiO_2$ powder. The effect of pH is investigated and the maximum photodegradation efficiency is obtained at pH 7. In addition, the intermediates such as dichloromethane, chloroform, and trichloroethane are detected during the photodegradation of TCE.

• Proceedings of the Korean Vacuum Society Conference
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• 2011.08a
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• pp.211-211
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• 2011

Nanostructures, with a diversity of shapes, built on substrates have been developed within many research areas. Lithography is one powerful, but complex, technique to make structures at the nanometer scale, such as platinum nanowires for studying CO catalytic reactions [1], or aluminum nanodisks for studying the plasmon effect [2]. In this work, we approach a facile method to construct nanostructures using noble metals on a titania thin film by using self-assembled structures as a pattern. Here, a large-scale silica monolayer is transferred to the titania thin film substrates using a Langmuir-Blodgett trough, followed by the deposition of a thin transition metal layer. Owing to the hexagonal close-packed structure of the silica monolayer, we would obtain a metal nanostructure that includes separated metallic triangles (islands) after removing the patterning silica beads. This nanostructure can be employed to investigate the role of metal-oxide interfaces in CO catalytic reactions by changing the patterning silica particles with different sizes or by replacing the oxide support. The morphology and chemical composition of the structure can be characterized by scanning electron microscopy, atomic force microscopy and X-ray photoelectron spectroscopy. In addition, we modify these islands to a connected island structure by reducing the silica size of the patterning monolayer, which is utilized to generating hot electron flow based on the localized surface plasmon resonance effect of the metal nanostructures.

• Proceedings of the KSR Conference
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• 2009.05a
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• pp.1-5
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• 2009

Recently, as a method of green-development and reduction of carbon dioxide emission, increased interest has been focused on a railway. Furthermore, an intensive study has been processed on capabilities of maintenance activities, economic efficiency of maintenance on rail structure and a design of railway structure as well as the development of materials. The purpose of this paper is to develop a deteriorated model of PC Beam Bridge due to timely changes and maintenance activities. Typically, there is definite difference between maintained bridges and non-maintained bridges. As a result of proper maintenance activity, a life time of a structure can be enhanced. In this study, we will research and analyze structures with ongoing maintenance. We will also process same procedures on structures without maintenance. Therefore, we can establish the significant role in a conditional change of a structure. Based on a study, we accomplish the development of a condition-deteriorated model. To develop deteriorated model of PC Beam Bridge, We apply Marcov Theory and develop a transition probability to show the life time of bridge. This study will provide a great benefit to decision making for maintenance activities on the railway bridges for future.

• Proceedings of the Korean Vacuum Society Conference
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• 2010.02a
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• pp.119-119
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• 2010

We report strong exciton transition and exciton-phonon couplings in photoluminescence (PL) of ZnO thin films grown on MgO/sapphire (buffer/substrate) by plasma-assisted molecular beam epitaxy. The PL spectra at 10 K showed the intensity of the dominant emission, donor-bound exciton transition of front surface (top surface, the latter part in growth) is found to be about 100 times higher than that of back surface (in-depth bottom area, the initial part), while the room temperature PL spectra showed dominant contributions from the free exciton emissions and phonon-replicas of free excitons for front surface and back surface, respectively, It could be attributed to the strong contributions of exciton-phonon coupling. Time resolved PL spectra reveal that the life time of exciton recombination from the front surface are longer than those from back surface. This is most probably due to the fact that reduction of non-radiative recombination in the front surface. This investigation indicates that the existence of native defects or trap centers which can be reduced by the proper initial condition in growth and the exciton-phonon interaction couplings play an important role in optical properties and crystal quality of ZnO thin films.