• Bulletin of the Korean Chemical Society
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• v.24 no.5
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• pp.583-592
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• 2003

The gas phase identity nucleophilic substitution reactions of halide anions (X = F, Cl, Br) with cyclopentadienyl halides (1) are investigated at the B3LYP/6-311+G**, MP2/6-311+G** and G2(+)MP2 levels involving five reaction pathways: σ-attack $S_N2$, β-$S_N$2'-syn, β-$S_N$2'-anti, γ-$S_N$2'-syn and γ-$S_N$2'-anti paths. In addition, the halide exchange reactions at the saturated analogue, cyclopentyl halides (2), and the monohapto circumambulatory halide rearrangements in 1 are also studied at the same three levels of theory. In the σ-attack $S_N2$ transition state for 1 weak positive charge develops in the ring with X = F while negative charge develops with X = Cl and Br leading to a higher energy barrier with X = F but to lower energy barriers with X = Cl and Br than for the corresponding reactions of 2. The π-attack β-$S_N$2' transition states are stabilized by the strong $n_C-{\pi}^{*}_{C=C}$ charge transfer interactions, whereas the π-attack γ-$S_N$2' transition states are stabilized by the strong $n_C-{\sigma}^{*}_{C-X}$ interactions. For all types of reaction paths, the energy barriers are lower with X = F than Cl and Br due to the greater bond energy gain in the partial C-X bond formation with X = F. The β-$S_N$2' paths are favored over the γ-$S_N$2' paths only with X = F and the reverse holds with X = Cl and Br. The σ-attack $S_N2$ reaction provides the lowest energy barrier with X = Cl and Br, but that with X = F is the highest energy barrier path. Activation energies for the circumambulatory rearrangement processes are much higher (by more than 18 kcal $mol^{-1}$) than those for the corresponding $S_N2$ reaction path. Overall the gas-phase halide exchanges are predicted to proceed by the σ-attack $S_N2$ path with X = Cl and Br but by the β-$S_N$2'-anti path with X = F. The barriers to the gas-phase halide exchanges increase in the order X = F < Br < Cl, which is the same as that found for the gas-phase identity methyl transfer reactions.

• Journal of agriculture & life science
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• v.46 no.3
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• pp.1-10
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• 2012

This study was carried out to provide basal information on factors effected the decline of Pinus thunbergii by analysisof, the content of chlorophyll, and acid deposition through stepwise regression analysis. pH in throughfall at industrial area was 4.65 in the spring and 4.72 in the fall. On the contrary, pH at rural area was measured 5.32 in the spring and 5.34 in the fall. EC of rain fall at industrial area was $262.30{\mu}s$, However, there was $47.72{\mu}s$ at control area. Of anions, the concentration of ${NO_3}^-$ was $52.13mg/{\ell}$ at industrial area and $37.85mg/{\ell}$ at area. The concentration of ${SO_4}^{2-}$ was $57.89mg/{\ell}$ at industrial area and $36.21mg/{\ell}$ at area. Of the concentration of leaf chlorophyll in Pinus thunbergii, chlorophyll a was 0.2378 but control area was 0.4378. Also the content of chlorphyll b was 0.2097 and control area was 0.2345. The degree of decline of Pinus thunbergii forest was 2.97 at industrial area and 1.20 at area. We carried out a correlation analysis between the degree of decline and the concentration of ions, $SO_2$, and $NO_2$ in Pinus thunbergii forest. As a result, there was a negative correlation (r=-0.8672) between rain acids, and a positive correlation between $SO_2$ concentrations (r=0.8924) and between $NO_2$ concentrations (r=0.8428) in air. The correlations among acid depositions at level of 1% were pH (r=-0.8672), ${NO_3}^-$(r=0.6996), ${SO_4}^{2-}$(r=0.8497), $SO_2$ (r=0.8924), and $NO_2$ (r=0.8428).

• Korean Journal of Remote Sensing
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• v.37 no.6_2
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• pp.1859-1867
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• 2021

This study investigated seasonal characteristics of the particulate matter (PM) in the atmosphere and rainwater quality in Busan, South Korea, and evaluated the seasonal effect of PM₁₀ concentration in the atmosphere on the rainwater quality using multivariate statistical analysis. The concentration of PM in the atmosphere and meteorological observations(daily precipitation amount and rainfall intensity) are obtained from automatic weather systems (AWS) by the Korea Meteorological Administration (KMA) from March 2020 to August 2020. Rainwater samples (n = 216, 13 rain events) were continuously collected from the beginning of the precipitation using the rainwater collecting device at Pukyong National University. The samples were analyzed for pH, EC (electrical conductivity), water-soluble cations(Na⁺, Mg²⁺, K⁺, Ca²⁺, and NH₄⁺), and anions(Cl^-, NO₃^-, and SO₄^2-). The concentration of PM₁₀ in the atmosphere was steadily measured before and after the precipitation with a custom-built PM sensor node. The measured data were analyzed using principal component analysis (PCA) and Pearson correlation analysis to identify relationships between the concentration of PM₁₀ in the atmosphere and rainwater quality. In spring, the daily average concentration of PM₁₀ (34.11 ㎍/m³) and PM_2.5 (19.23 ㎍/m³) in the atmosphere were relatively high, while the value of daily precipitation amount and rainfall intensity were relatively low. In addition, the concentration of PM₁₀ in the atmosphere showed a significant positive correlation with the concentration of water-soluble ions (r = 0.99) and EC (r = 0.95) and a negative correlation with the pH (r = -0.84) of rainwater samples. In summer, the daily average concentration of PM₁₀ (27.79 ㎍/m³) and PM_2.5 (17.41 ㎍/m³) in the atmosphere were relatively low, and the maximum rainfall intensity was 81.6 mm/h, recording a large amount of rain for a long time. The results indicated that there was no statistically significant correlation between the concentration of PM₁₀ in the atmosphere and rainwater quality in summer.

• Journal of Naturopathy
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• v.11 no.1
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• pp.18-30
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• 2022

Background: It was to develop an air purification system (APS) using an underground air purification layer to verify the effect of basalt forest's underground air (sumgol) on a volcanic Jeju. Finally, it is necessary to analyze these purified air components and their usefulness to the human body in an air experience center. Purpose: It was to collect basalt forest air, analyze its composition, and explore its effect on the human body. Methods: We APS devices installed at four points in the Papaville area of Jeju. The air discharged from the APS was collected and analyzed the recycling components. An installed experience room filled with negative ions is about 5,000 ions/m³. After allowing the participants to stay for 60 to 120 minutes, we investigated the state of blood vessels. Results: In the analysis of the underground air, the O₂ concentration was 21.18%, which was higher than the average oxygen concentration of 20.94% in the atmosphere. However, Formaldehyde was not detected, and the CO₂ was 419 ppm, which was lower than that of indoor air. The PM2.5 concentration was less than 24 ㎍/m³ and detected anions over 5.000 /m³. The experiencer's vascular states improved, and the increase in pulse rate and stress relief were high. Conclusions: The valuable ingredients identified by analyzing the air were precious for natural healing. The experience results showed that it effectively improved the pulse rate, blood vessels, and stress. These conditions may be highly beneficial as a new area for expanding the basalt lava forest in the Jeju area into the natural healing and wellness industry.