• Bulletin of the Korean Chemical Society
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• v.30 no.11
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• pp.2806-2808
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• 2009

• Bulletin of the Korean Chemical Society
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• v.16 no.8
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• pp.716-720
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• 1995

• Bulletin of the Korean Chemical Society
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• v.20 no.10
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• pp.1129-1135
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• 1999

Free energy perturbation and molecular dynamics simulations were carried out to investigate the relative binding affinities of [17] ketonand (1) toward alkali metal cations in methanol. The binding affinities of 1 toward the alkali metal cations were calculated to be in the order Li+ > Na+ > K+ > Rb+ > Cs+, whereas our recent theoretically predicted and experimentally observed binding affinities for [18]starand (2) were in the order K+ > Rb+ > Cs+ > Na+ > Li+. The extremely different affinities of 1 and 2 toward smaller cations, Li + and Na+ , were explained in terms of the differences in their ability to change the conformation to accommodate cations of different sizes. The carbonyl groups constituting the central cavity of 1 can reorganize to form a cavity with the optimal M+ -O distance, even for the smallest Li+, without imposing serious strain on 1. The highest affinity of 1 for Li+ was predominantly due to the highest Coulombic attraction between the smallest Li+ and the carbonyl oxygens of 1.

• Applied Chemistry for Engineering
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• v.16 no.6
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• pp.857-864
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• 2005

Dealuminated and alkali/alkaline-earth metal exchanged Y-type and ZSM-5 zeolites were prepared as catalytic materials. Comparing with the composition of starting material, the magnitude of Si/Al ratio was increased after dealumination and cation exchange process. The ratio of Si/Al on surface was appeared to be larger than that in bulk. The destruction of basic frame in catalysts observed was understood to be due to a detachment of aluminum, which results in reducing framework while increasing non-framework. This phenomenon becomes more serious with increasing time of steam treatment and even more significant for the cation exchanged catalysts. The desorption peaks of the NO-TPD profiles taken after dealumination and cation exchanged Y-type and ZSM-5 zeolites shifted to the low temperature region. It was also found that the longer the steam treatment time, the degree of shift toward low temperature region was increased. The catalytic activities are dependent on the nature of cation exchanged, the ratio of Si/Al and the ratio of framework/non-framework by a change in basic frame.

• Bulletin of the Korean Chemical Society
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• v.19 no.2
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• pp.207-211
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• 1998

Potentiometric characteristics of DOS plasticized PVC-based membranes containing upper-rim calix[4]crown neutral carrier to various metal cations and protonated alkylamines have been examined. Although the calix[4]crown-based membrane electrodes exhibited substantial emf responses to alkali and alkaline earth metal cations, their high detection limits (- log[Cs+]=4.5) and sub-Nernstian response slopes (48 mV/pCs+) to the most selective cation, cesium, indicate that the metal cation complexing ability of calix[4]crown is much weaker than that of macrocyclic crown ethers. However, the calix[4]crown-based membrane electrodes exhibited near-Nernstian response slopes (56 mV/decade for hexylNH3+) with low detection limits (log[hexylNH3+]= - 6.7) to most alkylammonium ions compared to those of blank (DOS plasticized PVC membrane with no ionophore) or crown ether-based membranes. While the selectivity patterns of blank and crown ether-based membranes are determined primarily by the lipophilicity of alkylammonium ions, the membranes doped with calix[4]crown ionophore could effectively discriminate the steric shapes of nonpolar alkyl groups of alkylammonium ions.

• Journal of Radiopharmaceuticals and Molecular Probes
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• v.7 no.2
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• pp.141-146
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• 2021

With increasing interest in fluorinated compounds, nucleophilic fluorination reaction has been generally used for synthesizing fluorine-containing chemicals. However, alkali metal fluorides (MFs) generally have low solubility and reactivity in organic solvent. To overcome these problems, various phase transfer catalysts (PTCs) have been investigated. Calix-arene is known as to capture the metal cation(M⁺), and therefore in this review, we would like to introduce several kinds of calix-arene based PTCs, such as bis-tert-alcohol-functionalized crown-6-calix[4]arene (BACCA), oligo-ethylene glycol linked bis-triethyleneglycol crown-5-calix[4]arene (BTC5A), and ionic liquid functionalized calix-arene based catalyst, as well as ion-pair receptor crown-6-calix[4]arene-capped calix[4]pyrrole.

• Journal of the Korean Chemical Society
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• v.42 no.6
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• pp.696-702
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• 1998

The effect of alkali metal salt on the activity of Co-Mo catalyst which has high resistance to sulfur poisoning for water gas shift reaction(WGSR) was studied. Two groups of catalysts were prepared to investigate the effects of anion and cation in alkali metal salts. For K-doped catalysts made with various potassium salts having different anion, the catalytic activity was explained to depend mainly on the BET surface area. Among the catalysts prepared by various nitrates of alkali metal as precursor, the Li-doped catalyst showed the best activity, and the others did not make significant differences giving relatively low activities. And the change of BET surface area by varying the loading of alkali metal showed a similar trend to that of activity. In this case, the activity was dependent on both BET surface area and the ratio of $Mo^{6+}$ with a tetrahedral coordination symmetry to $Mo^{6+}$ with an octahedral one, $Mo^6+[T]/Mo^{6+}[O]$ value.

• Bulletin of the Korean Chemical Society
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• v.35 no.4
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• pp.1117-1120
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• 2014

Ru/C-catalyzed hydrogenation of m-xylylene diamine into 1,3-cyclohexanebis(methylamine) was greatly accelerated by the presence of $LiNO_3$, $NaNO_2$, or $NaNO_3$. It was found that the effect of the nitrate salt was significantly affected by the size of cation. The promoting effect of the nitrate salt increased with the decrease of the cation size: $LiNO_3$ ~ $NaNO_2$ > $KNO_3$ > $CsNO_3$ >> [1-butyl-3-methylimidazolium]$NO_3$. XRD analysis of the recovered catalysts after the hydrogenation reactions showed that $LiNO_3$ and $NaNO_2$ were completely transformed into LiOH and NaOH, respectively, along with the evolution of $NH_3$, while $KNO_3$ and $CsNO_3$ remained unchanged.

• Journal of the Korean Chemical Society
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• v.50 no.1
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• pp.7-13
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• 2006

infrared(IR) absorption spectra were calculated for the ethyl ester of p-tert-butylcalix[4]arene (1) in the cone conformer and its alkali-metal-ion complex. The vibrational spectra were obtained by restricted Hartree-Fock (RHF) calculations with the 6-31G basis set. The characteristic vibrational frequencies of various C-O and C=O stretching motions of the complexes show that the structure of 1+K+ complex is almost of C4v symmetry compared to 1+Na+ (C2v) analogue. The theoretical results for the host molecule 1 and complex (1+Na+) were compared with the experimental results, and the calculated vibrational frequencies agree well with the features of the experimental spectra.

• Analytical Science and Technology
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• v.13 no.4
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• pp.466-473
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• 2000

The complex formation constants (${\beta}_{MLn}$) of potassium and various sodium-selective neutral carriers in solvent polymeric membranes have been determined using solvent polymeric membrane-based optodes and ion-selective electrodes (ISEs). Two different types of PVC-based membranes containing the H^+selective chromoionophore (ETH 5294) with and without a sodium ionophore (4-tert-bntylcalix[4]arenetetraacetic acid tetraethyl ester, ETH 2120, bis[(12-crown-4)methyl] dodecylmethylmalonate or monensin methyl ester) were prepared and their optical responses to either the changes in alkali metal cation (e.g., sodium and potassium) concentrations at a fixed pH (0.05 M Tris-HCl, pH 7.2) or varying pH at a fixed alkali metal cation concentration (0.1 M) were measured. The same type of membranes were also mounted in conventional electrode body and their potentiometric responses to varying pH at a fixed alkali metal cation concentration (0.1 M) were measured. The complex formation constants of the ligand could be calculated from the calibration plots of the relative absorbance vs. the activity ratios of cation and proton ($a_{M^+}/a_{H^+}$) and of the emf vs. pH. It was confirmed that the ratio values of the complex formation constants for the primary and interfering ions are closely related to the experimental selectivity coefficients of ISEs.