• Bulletin of the Korean Chemical Society
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• v.33 no.10
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• pp.3321-3330
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• 2012

The complexation characteristics of mixed [2 + 2'] calix[4]aryl derivatives (3 and 4) with alkali metal cations were investigated by the mPW1PW91 (hybrid HF-DF) calculation method. The total electronic and Gibbs free energies of the various complexes (cone, partial-cone, 1,2-alternate, and 1,3-alternate) of sodium and potassium cations with 3 and 4 were analyzed and compared. The structures of the endo- or exo-complexes of the alkali metal cation with the host 3 were optimized using the mPW1PW91/6-31G(d) method, followed by mPW1PW91/6-311+G(d) calculations. The structures of the endo- or exo-complexes of the alkali metal cation with the host 4 were optimized using the mPW1PW91/6-31G(d,p) method. The mPW1PW91 calculated relative energies of the various conformations of the free hosts (3 and 4) suggest that the cone conformers of 3 and 4 are the most stable. The mPW1PW91calculations also suggest that the complexation efficiencies of the sodium ion with hosts 3 and 4 are about 24 and 27 kcal/mol better than those of the potassium ion, respectively. These trends are in good agreement with the experimental results. The exo-complexation efficiencies of the sodium ion toward the conformers of hosts 3 and 4 are roughly 14 and 17 kcal/mol better than those for the endo-$Na^+$-complexes of 3 and 4, respectively. The exo-complexation of the cone isomer of 3 with cation could be confirmed by the differences of the diagnostic C=O bands in the free host and its complex's IR spectra.

• The Korean Journal of Ecology
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• v.20 no.5
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• pp.385-391
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• 1997

To investigate the degrees of toxification in the serpentine areas, serpentinites and adjacent metamorphic rocks and soils from the serpentinite, metamorphic area and transitional area(mixed soil) between serpentinite and metamorphic rocks are collected from the Hongseong-Gun, Chungnam. A plant, Geochemically, the serpentinites are high in the nickel, chromium and cobalt content whereas the metamorphic rocks show high zinc, scandium, molybdenum and iron contents. The serpentine soils are high in the nickel, chromium and cobalt contents whereas the non-serpentine soils show high zinc and iron contents. Heavy metal contents in the G. oldhamiana are high in the serpentine soil relative to the mixed soil. Ratio of the iron to nickel contents for the G. oldhamiana are low in the serpentine soil(49) relative to the mixed soil(216). Of the G. oldhamiana, most of the heavy metal contents except zinc and molybdenum are high in the root relative to the aboveground vegetation. Comparing with rocks, the G. oldhamiana is low in the all of heavy metal contents relative to the serpentinite. Uptake of zinc by the G. oldhamiana is high in the serpentinites and metamorphic rocks whereas uptake of scandium and iron by the G. oldhamiana is very high in the serpentinite area.

• Journal of Korean Society of Occupational and Environmental Hygiene
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• v.26 no.2
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• pp.170-177
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• 2016

Objectives: This study was conducted to evaluate the total heavy metals contents and chemical forms in the animal manure compost. Materials and methods: A total of 109 compost samples were collected throughout the country and classified into three groups in accordance with the raw materials; pig manure, poultry manure and mixed(pig+poultry+cattle) manure. The compost samples were analyzed for total metal content and sequential chemical extraction to estimate the quantities of metals. Results: Concentrations of Zn and Cu in several compost samples were higher than the maximum acceptable limits by the Korea Compost Quality Standards. Concentrations of Zn, Cu, and Cd in compost samples were 257~5,102, 68~1,243, and 0.02~2.54 mg/kg respectively, while Cr, Ni, As, and Pb were < 20 mg/kg. The concentrations of heavy metals in pig manure compost were higher than those of both the poultry and the mixed manure compost. The predominant forms for extracted metals were Cr, Ni, Zn, As, and Pb, residual; Cu, organic; and Cd, carbonate. Conclusions: Results indicate that the Zn and Cu contents in compost were higher than other heavy metals and the heavy metal contents were greater in pig manure compost followed by mixed and poultry manure compost. To prevent the accumulation of heavy metals in soil where animal manure compost is applied, strategy for reducing heavy metal concentrations in animal manure and compost must be considered.

• Journal of Korea Technical Association of The Pulp and Paper Industry
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• v.45 no.4
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• pp.65-74
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• 2013

In the manufacture of corrugated box, the fibrous raw materials are mainly consisted of recycled papers, such as KOCC(Korean Old Corrugated Container), kraft sack, and AOCC(American Old Corrugated Container). Among these recycled waste paper, the proportion of KOCC is relatively higher than others in fibrous raw materials. Generally, KOCC shows some poor fiber properties and contains hazardous heavy metal sources. Therefore, it is to evaluate the property of recycled paper sources for eco-friendly corrugated box manufacture. In this study, the physical and mechanical properties of 3 kinds of recycled fibers and their mixed stocks were analyzed. The environmental assessment was also evaluated by analyzing the 4 representative heavy metal contents and evaporation residues in waste papers. As the results, KOCC showed the poorest fiber qualities and had the highest heavy metal contents and evaporation residues among the recycled fibers. Finally, the mechanical strength properties were increased by decreasing KOCC proportion of mixed stock conditions. In addition, the heavy metal contents and evaporation residues were also decreased by increasing recycled AOCC and kraft sack proportion.

• Transactions of the Korean hydrogen and new energy society
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• v.18 no.3
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• pp.317-324
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• 2007

The conversion reaction of ortho to para hydrogen was studied. The percentage of ortho and para hydrogen is mainly dependent on the equilibrium temperature. Because this reaction is known to be accelerated by the catalyst such as nickel-silicate and ruthenium on silica, we focused in the test and development of the catalysts. We studied metal-silicates because they provide high metal dispersion on support. Nickel-silicate, ruthenium-silicate and mixed-silicate were prepared by the coprecipitation method and used in the reaction at the temperature of liquid nitrogen. The conversion was measured by the difference of thermal conductivity between reference gas and sample gas. The activation condition was important and it affected the activities of the catalysts. Nickel-silicate showed high activities. Ruthenium-silicate also showed relative high activities but mixed-silicate showed poor activities.

• Journal of the Korean Chemical Society
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• v.57 no.3
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• pp.341-351
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• 2013

Zn(II), Cd(II) and Hg(II) complexes with a general composition[$M(L)_2(X)_2$], where L=4-aminopyridine (4AP) and $X=NO_2{^-}$ were prepared under microwave irradiation. The metal complexes were characterized by elemental analyses, molar conductance, IR, Far-IR, electronic, NMR ($^1H$, $^{13}C$), XPS spectral and thermal studies. The spectroscopic studies reveal the composition, different modes of bonding, electronic transition, different chemical environment of C and H atoms and the electronic state of the metal atoms. On the basis of the characterization data, tetrahedral geometry is suggested for all the complexes. The free ligand (4-aminopyridine) and their metal complexes were screened against phytopathogenic fungi and bacteria in vitro and the activities were compared.

• Structural Engineering and Mechanics
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• v.5 no.6
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• pp.817-837
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• 1997

In the present contribution an interface crack model is introduced which is capable of modelling crack initialisation and growth in aluminium as well as in Fibre Metal Laminates. Interface elements are inserted in a finite element mesh with a yield function which bounds all states of stress in the interface. Hardening occurs after a state of stress exceeds the yield stress of the material. The hardening branch is bounded by the ultimate stress of the material. Thereafter, the state of stress is reduced to zero while the inelastic deformations grow. The energy dissipated by the inelastic deformations in this process equals the fracture energy of the material. The model is applied to calculate the onset and growth of cracking in centre cracked plates made of aluminium and GLARE$^{(R)}$. The impact of the model parameters on the performance of the crack model is studied by comparisons of the numerical results with experimental data.

• Bulletin of the Korean Chemical Society
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• v.1 no.2
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• pp.49-54
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• 1980

Solutions of $Ni^{2+}$ and $Cd^{2+}$ were mixed with the solutions of various dibasic organic acids in the presence of cation exchange resin at room temperature. The distribution ratios of the metal ions between resin and solution were measured, using radioactive metal ions as tracer. From the observed variation of the distribution ratios with acid anion concentrations, it was concluded that $Ni^{2+}$ and $Cd^{2+}$ formed one-to-one complexes with succinate, malonate, o-phthalate and tartarate ions in aqueous, 20 % ethanol-water and 20 % acetone-water solutions. The results of the present study indicated that the relative stabilities of the complexes in solution increased generally in the order : $Ni^{2+}$ < $Cd^{2+}$ complexes. Succinate < malonate < o-phthalate < tartarate complexes. Aqueous < mixed solvent systems.

• Bulletin of the Korean Chemical Society
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• v.1 no.3
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• pp.78-82
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• 1980

Solutions of $Cd^{2+}$, $Co^{2+}$ and $Ni^{2+}$ were mixed with the solutions of hydroxycarboxylic acids such as salicylic, lactic and mandelic acids in the presence of cation exchange resin at room temperature. The distribution ratios of the metal ions between resin and solution were measured, using radioactive metal ions as tracer. From the observed variation of the distribution ratios with the acid anion concentrations, it was concluded that $Cd^{2+}$, $Co^{2+}$ and $Ni^{2+}$ formed the one-to-one complexes with salicylate, lactate and mandelate ions in aqueous, 20 % ethanol-water and 20 % acetone-water solutions. The results of the present study indicated that the relative stabilities of the metal-acid complexes in solution increased in the order: $Cd^{2+}$ <$Co^{2+}$ <$Ni^{2+}$ complexes. Salicylate

• Korean Journal of Soil Science and Fertilizer
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• v.47 no.6
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• pp.540-546
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• 2014

Acid mine drainage sludge (AMDS) has been classified as mine waste and generally deposited in land. For this reason, studies have been conducted to examine the possibility of recycling AMDS as an amendment for heavy metal stabilization in soil. The main objective of this study was to evaluate heavy metal stabilization efficiency of AMDS comparing with the widely used lime stone. Also, optimum mixing ratio was evaluated for enhancing heavy metal stabilization. AMDS and limestone were mixed at the ratio of 0:100, 25:75, 50:50, 75:25, and 100:0 with five different heavy metal solutions ($100mg\;L^{-1}$ of $NaAsO_2$, $CdCl_2$, $CuCl_2$, $Pb(NO_3)_2$, and $ZnSO_4{\cdot}7H_2O$). The amendments were added at a rate of 3% (w/v). In order to determine the stabilization kinetics, samples were collected at different reaction time of 0, 1, 2, 4, 8, 16, 32, 64, 128, 256, 512, 1024 minutes. The heavy metal stabilization by AMDS was faster and higher than those of limestone for all examined heavy metals. While limestone showed only 20% of arsenic (As) stabilization after 1,024 minutes, 96% of As was stabilized within 1 minute by AMDS. The highest effect on the stabilization of heavy metal (loid) was observed, when the two amendments were mixed at a ratio of 1:1. These results indicated that AMDS can be effectively used for heavy metal stabilization in soil, especially for As, and the optimum mixing ratio of AMDS and lime was 1:1 at a rate of 3% (w/v).