• Food Science and Biotechnology
• /
• v.16 no.5
• /
• pp.854-857
• /
• 2007

In this study, the crude methanol extract of mulberry leaves was fractionated with chloroform, ethyl acetate, n-butanol, and water, successively. The antioxidant activities of the fractions were examined with the 2-deoxyribose oxidation and linoleic acid peroxidation methods. The ethyl acetate fraction showed the strongest antioxidant activity. From it we isolated chlorogenic acid, caffeic acid, quercetin $3-O-{\beta}-D-glucopyranoside$, and kaempferol $3-O-{\beta}-D-glucopyranoside$ with preparatory octadecyl silane-high performance liquid chromatography (ODS-HPLC), and identified the compounds by nuclear magnetic resonance (NMR) and fast atom bombardment mass (FAB-MS) analyses. Overall, quercetin $3-O-{\beta}-D-glucopyranoside$ showed the strongest antioxidant activity by both the 2-deoxyribose oxidation and rat liver microsome peroxidation methods.

• Journal of the Korean Society of Manufacturing Process Engineers
• /
• v.10 no.5
• /
• pp.104-109
• /
• 2011

Bulk metallic glasses (BMG) have been greatly improved by the advance of synthesis process during last three decades. It was also found that the Glass Forming Ability (GFA) strongly depends on the glass transition temperature. When the temperature approaches to a critical value, the crystals nucleation from the supercooled liquid can be suppressed so that bulk glass formation possible. Egami and others found that the local glass transition temperature depends on the volumetric strain of each atom and suggested the critical transition temperature. In this paper, we explore the strain dependency of local glass transition temperature using the atomic strain defined by the deformation tensor for the Voronoi polyhedra.

• Journal of Korea Foundry Society
• /
• v.24 no.2
• /
• pp.79-84
• /
• 2004

In this study, the electromagnetic vibration is adopted for modifying eutectic Si phase and reducing its size. The higher the current density and frequency of electromagnetic vibration(EMV), the finer the size of eutectic Si phase. The tensile strength and elongation of EMVed alloy were highly improved. Measured twin probability of EMVed alloy at a frequency of 1000 Hz was approximately six times as high as that of the normal alloy. The mechanism for the increase in twin density due to EMV during solidification could be supposed from the fact that the preferential growth along <112> in silicon was suppressed by preventing Si atom from attaching to the growing interface of Si phase and by changing the solid/liquid interfacial energy of silicon. According to the result of UTS test, because of modification of eutectic Si, UTS and elongation are highly increased.

• Fisheries and Aquatic Sciences
• /
• v.15 no.1
• /
• pp.15-19
• /
• 2012

A new cyclic peptide (six-membered amino acid), gamakamide-E (L-Leu-L-Met (SO)-L-Me-Phe-L-Leu-D-Lys-L-Phe), was isolated as a strongly bitter tasting compound from cultured oysters, Crassostrea gigas. The molecular formula of $C_{43}H_{61}N_7O_8S$ was deduced from high resolution fast atom bombardment mass spectrometry (HR FAB-MS) ($[M+H]^+$ m/z 836.4356 ${\Delta}$= -2.4 mmu). Its unique structure including a hydantoin structure was firstly elucidated by nuclear magnetic resonance (NMR) analysis. Stereochemistries of constituent amino acids were determined by chiral high performanced liquid chromatography analysis of natural and synthesized peptides.

• Bulletin of the Korean Chemical Society
• /
• v.19 no.10
• /
• pp.1047-1054
• /
• 1998

We present the results of molecular dynamics simulations for three different systems of bilayers of long-chain alkyl thiol [S(CH2)15CH3] molecules on an solid-solid interface using the extended collapsed atom model for the chain-molecule. It is found that there exist two possible transitions: a continuous transition characterized by a change in molecular interaction between sites of different chain molecules with increasing area per molecule and a sudden transition from an ordered lattice-like state to a liquid-like state due to the lack of interactions between sites of chain molecules on different surfaces with increasing distance between two solid surfaces. The third system displays a smooth change in probability distribution characterized by the increment of gauche structure in the near-tail part of the chain with increasing area per molecule. The analyses of energetic results and chain conformation results demonstrate the characteristic change of chain structure of each system.

• Journal of the Korean Chemical Society
• /
• v.7 no.4
• /
• pp.230-237
• /
• 1963

The synthesis of 2-methyl-5,5'-gem-disubstituted-$\Delta^2$-thiazolines has been undertaken by two methods. The first involves the preparation of gem-disubstituted N-or S-acetylamino mercaptan intermediates by ring opening of the corresponding thiiranes with ammonia. The second consists of the ring opening of gem-disubstituted ethylene imines using thiolacetic acid. The thiirane rings have never been opened under conditions as vigorous as that of using sodium amide in liquid ammonia. This is probably due to retardation by the gem-disubstituents. In contrast to this, the corresponding ethylene imine ring opens easily, in spite of the same stereochemical situation. The stabilization of gem-disubstituted cyclic compounds has been discussed from a stereochemical point of view. It has been concluded from the results of this work that the compression effect of gem-disubstitution is not due to bond angle deformation, which was observed by Thorpe and Ingold, but mostly to an electronic bond interaction of the gem-disubstituents and to the hetero atom(s), if any.

• Bulletin of the Korean Chemical Society
• /
• v.30 no.11
• /
• pp.2595-2602
• /
• 2009

Hexamer cluster of N,N-dimethylformamide(DMF) based on the crystal structure was investigated for the equilibrium structure, the stabilization energies, and the vibrational properties in the density functional force field. The geometry (point group $C_i$) of fully optimized hexamer clustered DMF shows quite close similarity to the crystal structure weakly intermolecular hydrogen bonded each other. Stretching force constants for intermolecular hydrogen bonded methyl and formyl hydrogen atoms with nearby oxygen atom, methyl C–H${\cdots}$O and formyl C–H${\cdots}$O, were obtained in 0.055 $\sim$ 0.11 and $\sim$ 0.081 mdyn/$\AA$, respectively. In-plane bending force constants for hydrogen bonded methyl hydrogen atoms were in 0.25 $\sim$ 0.33, and for formyl hydrogen $\sim$ 0.55 mdynÅ. Torsion force constants through hydrogen bonding for methyl hydrogen atoms were in 0.038 $\sim$ 0.089, and for formyl hydrogen atom $\sim$ 0.095 mdynÅ. Calculated Raman and infrared spectral features of single and hexamer cluster represent well the experimental spectra of DMF obtained in the liquid state. Noncoincidence between IR and Raman frequency positions of stretching C=O, formyl C–H and other several modes was interpreted in terms of the intermolecular vibrational coupling in the condensed phase.

• Nuclear Engineering and Technology
• /
• v.10 no.3
• /
• pp.127-136
• /
• 1978

We have applied the temperature dependent Thomas-Fermi theory to evaluate the equations of state, chemical potentials, entropies, % ionizations, total energies and kinetic energies of an atom, and seveal thermodynamic quantifies of one of metallic substance, Na, for a density range of 0.1$\rho$$_{0}$ ~ 10$\rho$$_{0}$, where $\rho$$_{0}$ is the normal density of Na at its melting point, and for a temperature range of 60.88Ryd. ~0.0216 Ryd., where the system is expected to be in a gaseous or liquid state. The main interest of present work lies in physical quantities at high temperatures and high densities, however, we have included those quantities of Na at sufficiently low temperatures and low densities to show that the approximation is not so crude as one might expect. Particularly, at high temperatures, the calculated equations of state, kinetic energies of an atom, chemical potentials and entropies are compared with those, of an ideal Fermi gas. The results show that, at high temperatures, the agreement seems good for chemical Potentials. However, the differences in, entropy, kinetic energy of an atom, and equation of state are not negligible even at such high temperature as $textsc{k}$T=60.88Ryd.

• Transactions of the Korean Society of Mechanical Engineers B
• /
• v.36 no.8
• /
• pp.873-876
• /
• 2012

Ionic liquids (ILs) existing in the liquid ion form under standard conditions show a unique properties. 1-10-Alkyl-3-methyl-imidazolium bromide ([C10mim][Br]) is one of the ILs that shows amphiphilic characteristics under specific conditions. This property enables it to function as a surfactant, and therefore, it finds applications in a wide range of areas. In this study, we tried to predict the behavior, especially the aggregation aspect, of [C10mim][Br] in an aqueous solution using molecular dynamics (MD) simulations. The canonical (NVT) ensemble was used to relax the system and trace the trajectory of atoms. Several case studies were simulated and the interaction among [C10mim]+, [Br]-, and water was analyzed using the radial distribution function of each atom. The density distribution function was also used for the structural analysis of the entire system. We used the Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) code for the present MD simulations.

• Nuclear Engineering and Technology
• /
• v.5 no.3
• /
• pp.202-213
• /
• 1973

In a continuation of the 1st series of these studies, a separation of the components in organic phases obtained from Szilard Chalmer reactions of aromatic chloro derivatives was attempted to clarify the conditions of isolating the main component. Though it was unable to isolate all constituents of organic phases, the main component was well isolated by means of a simple distillation or a thin layer chromatography. It was identified that the main component was a recombined product of the recoiled $^{38}$ Cl atom with the original sample. In cases of solid samples the main component amounted about 80-60% of the radio activity of the organic phase, whereas the main component from liquid samples gave less than 70% of the radio activity of the organic phase. A prolonged irradiation could increase the yield of a main component, but it was, in case of a radiation senintive compound, decreased as the irradiation is extended. The number of aide produets separated from an organic phase of a liquid sample was greater than that of a solid sample, and hence the main component of a solid sample was isolated easier. The overall fields of the labelled main products of 22 kinds of compounds were listed and a procedure of the separation of the main component by a thin layer chromatograply was proposed and evaluated. The feasibility of the present procedure for labelling purpose was also reviewed with respects to the chemical structure of a compound.