• Bulletin of the Korean Chemical Society
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• v.31 no.6
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• pp.1519-1526
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• 2010

The behavior of peptide or protein solutes in saline aqueous solution is a fundamental topic in physical chemistry. Addition of ions can strongly alter the thermodynamic and physical properties of peptide molecules in solution. In order to study the effects of added ionic salts on protein conformation and dynamics, we have used the molecular dynamics (MD) simulations to investigate the behavior of Staphylococcus aureus Hfq protein under two different ionic concentrations: 0.1 M NaCl and 1.0 M NaCl in presence and absence of RNA (a hepta-oligoribonucleotide AU5G). Hfq, a global regulator of gene expression is highly conserved and abundant RNA-binding protein. It is already reported that in vivo the increase of ionic strength results in a drastic reduction of Hfq affinity for $Q{\beta}$ RNA and reduces the tendency of aggregation of Escherichia coli host factor hexamers. Our results revealed the crucial role of 0.1 M NaCl Hfq system on the bases with strong hydrogen bonding interactions and by stabilizing the aromatic stacking of Tyr42 residue of the adjacent subunits/monomers with the adenine and uridine nucleobases. An increase in RNA pore diameter and weakened compactness of the Hfq-RNA complex was clearly observed in 1.0 M NaCl Hfq system with bound RNA. Aggregation of monomers in Hfq and the interaction of Hfq with RNA are greatly affected due to the presence of high ionic strength. Higher the ionic concentration, weaker is the aggregation and interaction. Our results were compatible with the experimental data and this is the first theoretical report for the experimental study done in 1980 by Uhlenbeck group for the present system.

• Bulletin of the Korean Chemical Society
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• v.28 no.1
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• pp.41-48
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• 2007

Large colorless single crystals of sodium zeolite X, stoichiometry |Na80 |[Si112Al80O384]-FAU, with diameters up to 200 μm and Si/Al = 1.41 have been synthesized from gels with the composition of 2.40SiO2 : 2.00NaAlO2 : 7.52NaOH : 454H2O : 5.00TEA. One of these, a colorless octahedron about 200 μm in cross-section has been treated with aqueous 0.1 M KNO3 for the preparation of K+-exchanged zeolite X. The crystal structure of |K80|[Si112Al80O384]-FAU per unit cell, a = 24.838(4) A, dehydrated at 673 K and 1 × 10-6 Torr, has been determined by single-crystal X-ray diffraction techniques in the cubic space group Fd at 294 K. The structure was refined using all intensities to the final error indices (using only the 707 reflections for which Fo > 4σ (Fo)) R1 = 0.075 (based on F) and R2 = 0.236 (based on F2). About 80 K+ ions per unit cell are found at an unusually large number of crystallographically distinct positions, eight. Eleven K+ ions are at the centers of double 6-rings (D6Rs, site I; K-O = 2.492(6) A and O-K-O (octahedral) = 88.45(22)o and 91.55(22)o). Site-I' position (in the sodalite cavities opposite D6Rs) is occupied by five K+ ions per unit cell; these K+ ions are recessed 1.92 A into the sodalite cavities from their 3-oxygen planes (K-O = 2.820(19) A, and O-K-O = 78.6(6)o). Twety-three K+ ions are found at three nonequivalent site II (in the supercage) with occupancies of 5, 9, and 9 ions; these K+ ions are recessed 0.43 A, 0.75 A, and 1.55 A, respectively, into the supercage from the three oxygens to which it is bound (K-O = 2.36(13) A, 2.45(13) A, and 2.710(13) A, O-K-O = 116.5(20)o, 110.1(17)o, and 90.4(6)o, respectively). The remaining sixteen, thirteen, and twelve K+ ions occupy three sites III' near triple 4-rings in the supercage (K-O = 2.64(3) A, 2.94(3) A, 2.73(5) A, 2.96(6) A, 3.06(4) A, and 3.08(3) A).

• Bulletin of the Korean Chemical Society
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• v.28 no.2
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• pp.251-256
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• 2007

The crystal structure of fully dehydrated partially Cs+-exchanged zeolite X, [Cs52Na40Si100Al92O384], a = 24.9765(10) A, has been determined by single-crystal X-ray diffraction techniques in the cubic space group Fd3 at 21 °C. The crystal was prepared by flow method for 5 days using exchange solution in which mole ratio of CsOH and CsNO3 was 1 : 1 with total concentration of 0.05 M. The crystal was then dehydrated at 400 °C and 2 × 10-6 Torr for 2 days. The structure was refined to the final error indices, R1 = 0.051 and wR2 (based on F2) = 0.094 with 247 reflections for which Fo > 4σ (Fo). In this structure, about fifty-two Cs+ ions per unit cell are located at six different crystallographic sites with special selectivity; about one Cs+ ion is located at site I, at the centers of double oxygen-rings (D6Rs), two Cs+ ions are located at site I', and six Cs+ ions are found at site II'. This is contrary to common view that Cs+ ions cannot pass sodalite cavities nor D6Rs because six-ring entrances are too small. Ring-opening by the formation of ?OH groups and ring-flexing make Cs+ ions at sites I, I', and II' enter six-oxygen rings. The defects of zeolite frameworks also give enough mobility to Cs+ ions to enter sodalite cavities and D6Rs. Another six Cs+ ions are found at site II, thirty-six are located at site III, and one is located at site III' in the supercage, respectively. Forty Na+ ions per unit cell are located at two different crystallographic sites; about fourteen are located at site I, the centers of D6Rs and twenty-six are also located at site II in the supercage. Cs+ ions and Na+ ions at site II are recessed ca. 0.34(1) A and 1.91(1) A into the supercage, respectively. In this work, the highest exchange level of Cs+ ions per unit cell was achieved in zeolite X by conventional aqueous solution methods and it was also shown that Cs+ ion could pass through the sixoxygen rings.

• Korean Journal of Environmental Agriculture
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• v.34 no.3
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• pp.155-160
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• 2015

BACKGROUND: Objective of this study was to investigate adsorption characteristics of $NH_4-N$ to biochar produced from rice hull in respective to mitigation of greenhouse gases. METHODS AND RESULTS: $NH_4-N$ concentration was analyzed by UV spectrophotometer. For adsorption experiment of $NH_4-N$ to biochar, input amount of biochar was varied from 0.4 to 10 g/L with 30 mg/L $NH_4-N$ solution. Its adsorption characteristic was investigated with application of Langmuir isotherm. Adsorption amount and removal rates of $NH_4-N$ were decreased at 53.9% and increased at 20.2% with 10 g/L compared to 0.4 g/L, respectively. The sorption of $NH_4-N$ to biochar produced from rice hull was fitted well by a Langmuir model. The largest adsorption amount of $NH_4-N$ ($q_m$) and binding strength constant (b) were calculated as 0.4980 mg/g, and 0.0249 L/mg, respectively. It was observed that dimensionless constant ($R_L$) was 0.58. CONCLUSION: It was indicated that biochar produced from rice hull is favorably absorbed $NH_4-N$, because this value lie within 0< $R_L$ <1.

• Journal of the Mineralogical Society of Korea
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• v.18 no.1
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• pp.1-9
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• 2005

The electrocatalytic reduction of O₂ was investigated with methyl viologen and methylene blue incorporated clay-modified electrodes. Clay suspensions were prepared with Na-montmorillonite, Ca-montmorillonite, and kaolinite. The methyl viologen-clay modified electrodes were made by coating clay suspensions adsorbing methyl viologen on a glassy carbon electrode. Cyclic voltammetry were performed in aqueous media to investigate the electrocatalytic property of the modified electrode in reducing O₂. A Na-montmorillonite modified electrode showed the greatest adsorption capacity for methyl viologen. The modified electrode made of Na-montmorillonite suspension of 0.87 g/10 mL and a 2.5 mM of methyl viologen solution showed the most effective electrocatalytic property, where the catalytic reduction potential was shifted by 242.6 mV toward the positive potential. The electrocatalytic ability was more significant in acidic (pH=3.7) and alkaline (pH=12.7) media than the neutral pH range (6.3∼8.3). The methyl viologen-Na-montmorillonite modified electrode had the good reproducibility and maintain the electrocatalytic property over 20 times reuse.

• Journal of the Korean Applied Science and Technology
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• v.36 no.1
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• pp.355-361
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• 2019

The red pigment extracted from Serratia marcescens 2354 (ATCC 25419) was prodigiosin (PG), which was dissolved in methanol and measured for ultraviolet and visible light absorption spectra. It was the typical absorption spectrum of PG in an acid solution with ${\lambda}_{max}=537nm$. When the concentration of PG was increased from $1.0{\times}10-5M$ to $9.0{\times}10-5M$ in the methanol solution, the absorption intensity at 537 nm was increased, the absorption intensity at 467 nm was decreased, and the isosbestic point at 500 nm was observed. This phenomenon can be regarded as a result of reversible acid-base equilibrium reaction considering 537 nm and 467 nm of PG absorption band in acid and base solution respectively and isosbestic point of 500 nm. On the other hand, when the concentration of PG was reduced from $6.0{\times}10-4$ to $1.0{\times}10-4M$ in acetic acid buffer solution at pH 4.75, a new absorption band with ${\lambda}$ max at 500 nm appeared. This absorption band appears only in the aqueous solution of pH 4.75 and does not appear in the pure methanol solution of the same pH. This is due to the conversion of the PG molecule from the ${\alpha}$-isomer to the ${\beta}$-isomer by $H_2O$. In other words, it was confirmed that the color change of the PG can be caused by the concentration of the solution and the characteristics of the solvent.

• Journal of the Society of Cosmetic Scientists of Korea
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• v.47 no.4
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• pp.281-287
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• 2021

In this study, we analyzed the cosmetic applicability of extract from snow tea, native to Lijiang, Yunnan-province, China. After confirming the species as N. grossedentata through DNA analysis of Lijiang snow tea, experiments were conducted using representative tea, green tea, and a representative control group for each efficacy analysis. Both teas were extracted using 70% (v/v) ethanol aqueous solution. The polyphenol content in the Lijiang snow tea extract (gallic acid equivalent, 23.9 ± 3.2 mg/mL) was higher than that in green tea extract (16.4 ± 2.3 mg/mL). In contrast, the antioxidant (Radical scavenging, IC₅₀ 104 ㎍/mL), tyrosinase enzyme inhibitory (whitening agent, IC₅₀ 40.7 ㎍/mL), and Escherichia coli growth inhibitory (preservative) activities (IC₅₀ 2.85 mg/mL) were analyzed based on the solid content in the extract, and it was confirmed that the activities of Lijiang snow tea extract were superior to those of green tea extract (radical scavenging, IC₅₀ 234 ㎍/mL. It also showed similar efficacy to previously used active substances such as antioxidants (vitamin C, IC₅₀ 108 ㎍/mL), whitening agents (vitamin C, IC₅₀ 80㎍/mL), and preservatives (methylparaben, IC₅₀ 4.35 mg/mL). However, green tea was found to be better in collagenase inhibition activity (anti-wrinkle). Through this study, the cosmetic application potential of Lijiang snow tea is high.

• Journal of the Society of Cosmetic Scientists of Korea
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• v.48 no.2
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• pp.135-146
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• 2022

In order to prevent microbial contamination and safely use cosmetics, it is essential to possess preservative power. In this study, the antifungal effect was confirmed by improving the preservative system of the aqueous dispersion formulation, which has a weak preservative power against fungi, and various preservative systems were established to strengthen the preservative power against fungi. Five kinds of raw materials (sodium anisate, p-anisic acid, caprylhydroxamic acid, o-cymen-5-ol, hydroxyacetophenone) that have a benzene ring structure having a hydroxyl group and exist as protonated form in cosmetic formulations expected to improve antifungal activity in cosmetics were selected, and the minimum growth inhibitory concentration of the raw materials was determined through MIC assay. It was confirmed that the preservative power against mold was improved through the preservative efficacy test of 4 types of water dispersion formulations (cream, lotion, toner, and sun cream) in which 4 types of raw materials showing antimicrobial activity against mold were added to the preservative system. When p-anisic acid was used, it was confirmed that the preservative activity against mold was strengthened without the effect of inhibiting the preservative power against bacteria and yeast in all four formulations.

• Applied Biological Chemistry
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• v.51 no.3
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• pp.223-227
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• 2008

The aerial parts of Sajabalssuk (Artemisia princeps PAMPANINI, Sajabalssuk) was extracted with 80% aqueous MeOH, and the concentrated extract was partitioned with EtOAc, n-BuOH and $H_2O$, successively. From the EtOAc fraction, three cycloartane-type triterpnoids and one ursane-type triterpenoid were isolated through the repeated silica gel, ODS and Sephadex LH-20 column chromatographies. From the results of physico-chemical data including NMR, MS and IR, the chemical structures of the triterpenoids were determined as wrightial (1), wrightial acetate (2), 27-norcycloart-20(21)-ene-25-al-3${\beta}$-ol acetate (3) and ursolic acid (4). No report has been found for isolation of compound 3 in the literature so far, and compounds 1, 2 and 3 were the first to be isolated from Sajabalssuk (Artemisia princeps PAMPANINI, Sajabalssuk). Also, compound 1 showed Acyl-CoA:Cholesterol acyltransferase (hACAT-1) and hACAT-2 inhibitory activity with the $IC_{50}$ values of 33.0 and 45.0 ${\mu}g/ml$, respectively. Compounds 2 and 3 inhibited hACAT-1 activity with the $IC_{50}$ values of 12.0 and 16.0 ${\mu}g/ml$, respectively.

• Journal of Applied Biological Chemistry
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• v.60 no.1
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• pp.5-11
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• 2017

18 flowers of Compositae family were collected and extracted in aqueous methanol (MeOH). The concentrated extract was partitioned into n-hexane, ethyl acetate (EtOAc), n-BuOH, and water fractions. The extract and fractions were evaluated for total phenolics, total flavonoids, 1,1-diphenyl-2-picrylhydrazyl (DPPH) radical scavenging activity, and tyrosinase inhibition activity. n-Hexane and EtOAc fractions of Aster yomena, n-hexane fraction of Cosmos bipinnatus White, n-hexane and EtOAc fractions of C. bipinnatus Pink showed high total phenolics. And EtOAc fractions of A. yomena, C. bipinnatus White, C. bipinnatus Red, C. morifolium Froggy, and C. morifolium Himaya exhibited high total flavonoids. EtOAc fractions of A. yomena, C. bipinnatus White, C. bipinnatus Pink, C. morifolium Yellowmable, and MeOH extract of C. morifolium Rosa significantly scavenged DPPH radical. EtOAc fractions of C. chinensis, C. bipinnatus White, C. bipinnatus Red, C. morifolium Himaya, and C. morifolium Hongsim highly inhibited the tyrosinase activity. A. yomena, C. bipinnatus White, C. bipinnatus Pink, C. bipinnatus Red and C. morifolium Himaya are evaluated as good source for whitening cosmetics materials.