• Journal of The Korean Society of Agricultural Engineers
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• v.48 no.1
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• pp.3-10
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• 2006

The chemical fractions of heavy metals were investigated in the soils of reclaimed and natural tidelands of southwest coastal area of Korea. The distribution pattern of each heavy metal in different fractions was in the order: 1) Cu : organic bound > organic complex > residual > exchangeable = water soluble. 2) Cr : residual > organic bound > organic complex > water soluble > exchangeable. 3) Pb : organic bound > residual > organic complex > water soluble > exchangeable. 4) Cd residual > organic bound > organic complex > water soluble = exchangeable. 5) Zn : organic bound > residual > organic complex > water soluble > exchangeable. The content of residual Zn showed positive correlation with organic matter content but organic bound Zn showed negative correlation with CEC. The content of residual and exchangeable Cd showed highly positive correlation with organic matter content but residual, organic bound, and exchangeable Cd showed negative correlations with CEC. Water soluble Pb showed positive correlation with CEC but organic bound Pb showed negative correlation with CEC.

• Journal of the Korean Chemical Society
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• v.55 no.1
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• pp.7-13
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• 2011

As an aid towards improving the treatment of exchange and correlation effects in electronic structure calculations, it is desirable to have a clear picture of concepts of exchange-correlation functionals in computational calculations. For achieving this aim, it is necessary to perform different theoretical methods for many groups of materials. We have performed hybrid density functional theory (DFT) methods to investigate the density charges of atoms in rings and cages of carbon nanotube. DFT methods are engaged and compared their results. We have also been inclined to see the impression of exchange and correlation on nuclearnuclear energy and electron-nuclear energy and kinetic energy. With due attention to existence methods, B3P86, B3PW91, B1B96, BLYP and B3LYP have used in this work.

• Journal of Korean Society of Occupational and Environmental Hygiene
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• v.23 no.2
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• pp.65-74
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• 2013

Objectives: This study attempted to develop a method to measure ultra-trace lead concentrations in plasma using Inductively Coupled Plasma Mass Spectrometry(ICP-MS) and to test whether plasma lead can be used as a biomarker for the biological monitoring of exposure to lead. Methods: Lead concentrations in 160 plasma samples of field workers and 42 plasma samples from the control group were measured by ICP-MS. Blood zinc protophorphyrin(ZPP) concentrations and urinary ${\delta}$-aminolevulinic acid${\delta}-ALA$) were measured for correlation analysis with plasma lead. Results: The mean lead level in the plasma of the workers exposed to lead at work were 786.1 ng/L. Plasma lead levels were not correlated with blood ZPP or urinary ${\delta}-ALA$ concentrations. Otherwise, plasma lead levels showed a good correlation coefficient of 0.400 with blood lead levels, and their correlation coefficient had a better value of 0.552 for the non-smoking and drinking group. In the general population group which was not exposed to lead in the workplace and was considered the control group, the mean concentration of plasma lead was 123.1 ng/L. The plasma lead levels for the general population group showed a good correlation coefficient of 0.520 with blood ZPP and urinary ${\delta}-ALA$ concentrations.

• Journal of Environmental Health Sciences
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• v.47 no.2
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• pp.175-181
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• 2021

Objectives: The correlation between the size of a leak hole, the volume of the leakage, and the range of influence was investigated for a hydrochloric acid tank-lorry. Methods: For the case of a tank-lorry chemical accident, KORA (Korea Off-site Risk Assessment Supporting Tool) was used to predict the leak rate and the range of influence according to the size of the leak hole. The correlation was studied using R. Results: As a result of analyzing the leak rate change according to the leak hole size in a 35% hydrochloric acid tank-lorry, as the size of the leak hole increased from 1 to 100 mm, the leak rate increased from 0.008 to 83.94 kg/sec, following the power function. As a result of calculating the range of influence under conditions ranging from 1 to 100 mm in size and 10 to 60 minutes of leakage time, it was found that the range spanned from a minimum of 5.4 m to a maximum of 307.9 m. As a result of multiple regression analysis using R, the quadratic function model best explained the correlation between the size of the leak hole, the leak time, and the range of influence with an adjected coefficient of determination of 0.97 and a root mean square error of 22.33. Conclusion: If a correlation database for the size of a leak hole is accumulated for various substances and under various conditions, the amount of leakage and the range of influence can easily be calculated, facilitating field response activities.

• Bulletin of the Korean Chemical Society
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• v.33 no.10
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• pp.3391-3396
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• 2012

Two-dimensional infrared (2D-IR) spectroscopy can probe the fast structural evolution of molecules under thermal equilibrium. Vibrational frequency fluctuation caused by structural evolution produced the time-dependent line shape change in 2D-IR spectrum. A variety of methods has been used to connect the evolution of 2D-IR spectrum with Frequency-Frequency Correlation Function (FFCF), which connects the experimental observables to a molecular level description. Here, a new method to extract FFCF from 2D-IR spectra is described. The experimental observable is the time-dependent frequency shift of maximum peak position in the slice spectrum of 2D-IR, which is taken along the excitation frequency axis. The direct relation between the 2D-IR peak shift and FFCF is proved analytically. Observing the 2D-IR peak shift does not need the full 2D-IR spectrum which covers 0-1 and 1-2 bands. Thus data collection time to determine FFCF can be reduced significantly, which helps the detection of transient species.

• Journal of the East Asian Society of Dietary Life
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• v.11 no.6
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• pp.485-497
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• 2001

For a period of 5 days, the quality of breads with Paecilomyces japonica powder were investigated using chemical, sensory, and mechanical evaluations at $25^{\circ}C$. The result of analysis of chemical properties revealed that the pH value of dough was increased as the amount of Paecilomyces japonica powder increased, but volume of dough and baking loss rate were decreased. Breads with 1% and 2% Paecilomyces japonica powder showed a good overall preference in sensory evaluation. As storing time passed. moisture content, lightness, and redness were decreased in all breads, but yellowness increased. Hardness and gumminess of texture analysis were increased as storing time passed, but springiness decreased. Springiness of the mechanical properties was negatively correlated with pH value of dough and volume of bread, while was positively correlated with volume of dough and baking loss rate. In the analysis of correlation between sensory and mechanical properties showed that hardness of mechanical properties had negative correlation with softness, moistness, and springiness. Cohesiveness of mechanical properties had positive correlation with acceptability.

• KOREAN JOURNAL OF CROP SCIENCE
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• v.30 no.2
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• pp.180-183
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• 1985

Percent dormant root and percent missing root were investigated in ginseng (Panax ginseng) plantations and correlated with soil chemical characteristics. Percent dormant root showed no consistency with root age and significant positive correlation with percent missing root in many cases. Percent dormant root showed significant positive correlation with available phosphorus and phosphorus-moisture ratio in soils. Percent missing root showed significant negative correlation with moisture and calcium in soil and positive one with phosphorus - moisture ratio. Above results strongly suggest that excess phosphorus and water stress are the common causes of dormancy and missing of root.

• Bulletin of the Korean Chemical Society
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• v.35 no.12
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• pp.3527-3531
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• 2014

In this paper, we report thermodynamic and transport properties (diffusion coefficient, viscosity, and thermal conductivity) of diatomic gases ($H_2$, $N_2$, $O_2$, and $Cl_2$) at 273.15 K and 1.00 atm by performing molecular dynamics simulations using Lennard-Jones intermolecular potential and modified Green-Kubo formulas. The results of self-diffusion coefficients of diatomic gases obtained from velocity auto-correlation functions by Green-Kubo relation are in good agreement with those obtained from mean square displacements by Einstein relation. While the results for viscosities of diatomic gases obtained from stress auto-correlation functions underestimate the experimental results, those for thermal conductivities obtained from heat flux auto-correlation functions overestimate the experimental data except $H_2$.

• Bulletin of the Korean Chemical Society
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• v.35 no.4
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• pp.1061-1066
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• 2014

Time-dependent formulations of the reactive scattering theory based on the wavepacket correlation functions with the M${\phi}$ller wavepackets for the electronically nonadiabatic reactions are presented. The calculations of state-to-state reactive probabilities for the quasi-Jahn-Teller scattering model system were performed. The conical intersection (CI) effects are investigated by comparing the results of the two-surface nonadiabatic calculations and the single surface adiabatic approximation. It was found that the results of the two-surface nonadiabatic calculations show interesting features in the reaction probability due to the conical intersection. Single surface adiabatic calculations with extended Born-Oppenheimer approximation using simple wavepacket phase factor was found to be able to reproduce the CI effect semi-quantitatively, while the single surface calculations with the usual adiabatic approximation cannot describe the scattering process for the Jahn-Teller model correctly.

• Bulletin of the Korean Chemical Society
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• v.18 no.9
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• pp.1010-1013
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• 1997

Nucleophilic substitution reactions of (Z)-phenylethyl (X)-benzenesulfonates with (Y)-pyridines were investigated in acetonitrile at 60 ℃ under respective pressures. The magnitudes of the Hammett reaction constants, ρX, ρY and ρZ indicate that a stronger nucleophile leads to a greater degree of bond formation of C-N and a better leaving group is accompanied by a less degree of bond breaking. The magnitude of correlation interaction term, ρij can be used to determine the structure of the transition state (TS) for the SN reaction. As the pressure is increased, the Hammett reaction constants, ρX and |ρY|, are decreased, but correlation interaction coefficient, ρXZ and |ρYZ|, are increased. The results indicate that the reaction of (Z)-phenylethyl (X)-benzenesulfonates with (Y)-pyridines probably moves from a dissociative SN2 to early-type concerted SN2 mechanism by increasing pressure. This result shows that the correlation interaction term ρij can be useful tool to determine the structure of TS, and also the sign of the product ρXZ·ρYZ can be predict the movement of the TS.