• Bulletin of the Korean Chemical Society
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• v.23 no.2
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• pp.309-314
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• 2002

The ablation dynamics and cluster formation of $C_n^+$ ions ejected from 355 nm laser ablation of a graphite target in vacuum are investigated using a reflectron time-of-flight (RTOF) mass spectrometer. At low laser fluence, odd-numbered cluster ions with $3{\leq}n{\leq}15$ are predominantly produced. Increasing the laser fluence shifts the maximum size distribution towards small cluster ions, implying the fragmentation of larger clusters within the hot plume. The temporal evolution of $C_n^+$ ions was measured by varying the delay time of the ion extraction pulse with respect to the laser irradiation, providing significant information on the characteristics of the ablated plume. Above a laser fluence of $0.2J/cm^2$ , large cluster ions ($n{\geq}30$) are produced at relatively long delay times, indicating that atoms or small carbon clusters aggregate during plume propagation. The dependence of the intensity of ablated $C_n^+$ ions on delay time after laser irradiation shows that the most probable velocity of each cluster ion decreases with cluster size.

• Journal of Environmental Science International
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• v.27 no.5
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• pp.299-308
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• 2018

The adsorption characteristics of Cu ions were studied using the zeolite Na-A synthesized from Jeju volcanic rocks. The effects of various operating parameters such as initial concentration of Cu ions, contact time, solution pH, and solution temperature were investigated in batch experiments. The adsorption of Cu ions by Na-A zeolite was fitted well by pseudo-second-order kinetics and the Langmuir isotherm model. The maximum adsorption capacity determined using the Langmuir isotherm model was 152.95 mg/g. In addition, the adsorption of Cu ions by zeolite Na-A was primarily controlled by particle diffusion model in comparison with the film diffusion model. As the temperature increased from 303 K to 323 K, ${\Delta}G^o$ decreased from -2.22 kJ/mol to -3.41 kJ/mol, indicating that the adsorption of Cu ions by Na-A zeolite is spontaneous process.

• Journal of Environmental Science International
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• v.23 no.12
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• pp.1987-1998
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• 2014

Zeolite was synthesized from power station waste, coal fly ash, as an alternative low-cost adsorbent and investigated for the removal of Sr(II) and Cs(I) ions from single- and binary metal aqueous solutions. In order to investigate the adsorption characteristics, the effects of various operating parameters such as initial concentration of metal ions, contact time, and pH of the solutions were studied in a batch adsorption technique. The Langmuir model better fitted the adsorption isotherm data than the Freundlich model. The pseudo second-order model was found more applicable to describe the kinetics of system. The adsorption capacities of Sr(II) and Cs(I) ions obtained from the Langmuir model were 1.7848 mmol/g and 0.7640 mmol/g, respectively. Although the adsorption capacities of individual Sr(II) and Cs(I) ions was less in the binary-system, the sum of the total adsorption capacity (2.3572 mmol/g) of both ions in the binary-system was higher than the adsorption capacity of individual ion in the single-system. Comparing the homogeneous film diffusion model with the homogeneous particle diffusion model, the adsorption was mainly controlled by the particle diffusion process.

• Journal of Environmental Science International
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• v.8 no.1
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• pp.51-59
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• 1999

Chemical composition of atmospheric aerosols was measured at 4 sites in Pusan. All the samples were collected with a high volume air sampler from January to October 1996, to analyze major ions and heavy metals. Dominant ions of aerosols were S $O_4$$^{2-}$ in anion and N $a^{+}$ in cation. Sulfate, nitrate and ammonium ions in aerosols showed high enrichment factor to soil and seawater composition. The concentrations of heavy metals in aerosols was lowest at the site PI near the coast. The lowest concentrations of major ions and heavy metals mainly appeared in August, probably due to scavenging by frequent rains. Especially, the concentrations of total suspended particulate matter(TSP) and heavy metals in aerosols showed good correlations in Pusan. Based on crustal Al, enrichment factors for some metals(Zn, Cu, Pb, Cd) in aerosols were significantly greater than unity, and the order was Cd ＞ Pb ＞ Zn ＞ Cu. This evidence suggests that Cd and Pb are derived predominantly from non-crustal sources.s.

• Bulletin of the Korean Chemical Society
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• v.18 no.8
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• pp.874-880
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• 1997

Various classes of phospholipids were investigated for the structural determination of fatty acyl groups by fast atom bombardment tandem mass spectrometry (FAB-MS/MS). Phospholipids were desorbed by FAB as molecules chelated with sodium ion (or ions). Collision-induced dissociation (CID) of intact sodium adduct molecular ions ([M+Na]+, [M-H+2Na]+ or [M+Na-2H]-) produced a series of homologous fragment ions via the charge-remote fragmentation along the fatty acid chains. These ions were found useful to locate the double bond positions even for the polyunsaturated fatty acid chains. The regiospecificity of the acyl chain linkages in phosphatidylcholine (PC) could also be determined based on the ratio of relative abundance of the product ions (i.e., [M+Na-85-R2COOH]+ vs [M+Na-85-R1COOH]+) in CID-MS/MS of [M+Na]+. These are generated by the loss of fatty acyl groups at sn-1 and sn-2, respectively, together with the choline group. In all the phospholipid compounds investigated, loss of the fatty acid at the sn-2 position was dominant. The present method was applied to the structural determination of molecular species of phosphatidylglycerols (PG) isolated from cyanobacterium Synechocystis sp. PCC 6803.

• Bulletin of the Korean Chemical Society
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• v.16 no.3
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• pp.248-251
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• 1995

The crystal structure of Ba46-X, Ba46Al92Si100O384 [a= 25.297(1) Å], has been determined by single-crystal X-ray diffraction techniques in the cubic space group Fd&bar{3}at 21(1) ℃. The crystal was prepared by ion exchange in flowing stream of 0.05 M Ba(OH)2 aqueous solution for 5 days. The crystal was then dehydrated at 380 ℃ and 2 × 10-6 Torr for 2 days. The structure was refined to the final error indices R1= 0.051 and Rw= 0.054 with 369 reflections for which I > 3σ(I). In this structure, all Ba2+ ions are located at the three different crystallographic sites: fourteen Ba2+ ions are located at site Ⅰ, the centers of the double six rings, two Ba2+ ions lie at site Ⅰ', in the sodalite cavity opposite double six rings(D6R's) and another thirty Ba2+ ions are located at site Ⅱ in the supercage. Two Ba2+ ions are recessed ca. 0.27 Å into the sodalite cavity from their three O(3) oxygen plane and thirty Ba2+ ions are recessed ca. 1.11 Å into the supercage from their three O(2) oxygen planes, respectively (Ba(1)-O(3) = 2.76(1) Å, O(3)-Ba(1)-O(3) = 180(0)°, Ba(2)-O(3) = 2.45(1) Å, O(3)-Ba(2)-O(3) = 108(1)°, Ba(3)-O(2)=2.65(1) Å, and O(2)-Ba(3)-O(2)=103.9(4)°).

• Bulletin of the Korean Chemical Society
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• v.14 no.2
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• pp.258-262
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• 1993

Two single crystals of fully dehydrated $Rb^+$ -exchanged zeolite A have been prepared by the reduction of all $Ca^{2+}$ ions in dehydrated $Ca_6$-A by rubidium vapor. Their structures were determined by single crystal X-ray diffraction methods in the cubic space group Pm3m (a=12.160(2) $^{\AA}$ and 12.166(2) $^{\AA}$) at 22(1)$^{\circ}$C. In these structures, 12.4(2) to 13.3(2) Rb species are found per unit cell, more than 12 Rb$^+$ ions needed to balance the anionic charge of the zeolite framework, indicating that the sorption $Rb^0$ has occurred. In each structure, three $Rb^+$ ions per unit cell are located at the centers of the 8-rings. Six to eight $Rb^+$ ions are found opposite the 6-rings on threefold axes, and three $Rb^+$ ions are found in a sodalite unit. About 0.5 $Rb^+$ ion lies opposite a 4-ring. The structural analysis indicates the presence of a triangular rubidium cluster in the sodalite cavities. The triangular rubidium clusters may be stabilized by the coordination to two and/or three rubidium ions in the large cavity. Therefore, this cluster may be viewed as $(Rb_5)^{4+}$ and/or $(Rb_6)^{4+}$.

• Bulletin of the Korean Chemical Society
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• v.13 no.3
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• pp.317-324
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• 1992

Structure and dynamics of $Na^+$ ions are investigated by molecular dynamics simulations of rigid dehydrated zeolite-A at several temperatures using a simple Lennard-Jones potential plus Coulomb potential. A best-fitted set of electrostatic charges is chosen from the results of simulation at 298.15 K and Ewald summation technique is used for the long-ranged character of Coulomb interaction. The calculated x, y, and z coordinates of $Na^+$ ions are in good agreement with the positions determined by X-ray crystallography within statistical errors, their random movings in different types of closed cages are well described by time-correlation functions, and $Na_Ⅰ$ type ions are found to be less diffusive than $Na_Ⅱ$ and $Na_{III}$. At 600.0 K, the unstable $Na_{III}$ type ion pushes down one of nearest $Na_{I}$ ions into the $\beta-cage$ and sits on the stable site Ⅰ, and the captured ion in the $\beta-cage$ wanders over and attacks one of 8 $Na_{I}$ type ions.

• Bulletin of the Korean Chemical Society
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• v.23 no.1
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• pp.48-52
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• 2002

Using several molecular modeling programs we have performed computer simulations to investigate the complexation behaviors of an ester derivative of p-tert-butylcalix[5]arene (1e) toward a variety of butylammonium ions. Semi-empirical AM1 method was used for calculating the binding energies and the formation enthalpies. MM and CVFF forcefields for molecular mechanics calculations were adapted to express the complexation energies of the host. Molecular dynamics were performed to the calculated complex systems to simulate the ionophoric behavior of the host-guest complexes. The absolute Gibbs free energies of the host (1e) complexed with four kinds of butylammonium ions have been calculated using the Finite Difference Thermodynamic Integration (FDTI) method in Discover. Calculation results show that the trend in complex formation is n-$BuNH_3^+$ > iso-$BuNH_3^+$ >> sec-$BuNH_3^+$ > tert-$BuNH_3^+$, which is in good agreement with the experimental results.

• Bulletin of the Korean Chemical Society
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• v.32 no.11
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• pp.3959-3962
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• 2011

A simple propargylamide-fuctionalized chemodosimeter was prepared for the ratiometric fluorescence detection of mercuric ions in HEPES buffer. The chemodosimeter exhibited $Hg^{2+}$-induced propargyl amide-tooxazole transformation, with a significant accompanying ratiometric change in fluorescence. It afforded high selectivity for mercuric ion detection without any competitive inhibition by common alkali, alkaline earth, or other transition metal ions. The probe showed a $17{\times}10^{-6}M$ detection limit for $Hg^{2+}$ ions and potential applicability for detecting aqueous $Hg^{2+}$ ions.