• Title/Summary/Keyword: ring structure

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Remarkable Structure Relaxation of Zeolite Windows in Rb₃- and K₃-A Crystal Structures of $M_3nA_{9-x}H_xSi_{12}Al_{12}O_{48}$ where M-Rb or K and x=1 or 0

  • 박종삼;윤명숙;임우택;김명철;서숭혁;허남호
    • Bulletin of the Korean Chemical Society
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    • v.16 no.10
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    • pp.923-929
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    • 1995
  • Four crystal structures of M3-A (M3Na9-xHx-A, M=Rb or K and x=1 or 0), Rb3Na8H-A(a=12.228(1) Å and R1=0.046), Rb3Na9-A (a=12.258(3) Å and R1=0.058), K3Na8H-A (a=12.257(3) Å and R1=0.048) and K3Na9-A (a=12.257(3) Å and R1=0.052), have been determined by single crystal x-ray diffraction technique in the cubic space group Pm3^m at 21 ℃. In all structures, each unit cell contained three M+ ions all located at one crystallographically distinct position on 8-rings. Rb+ ions are 3.12 and 3.21 Å away respectively from O(1) and O(2) oxygens, about 0.40 Å away from the centers of the 8-rings, and K+ ions are 2.87 and 2.81 Å apart from the corresponding oxygens. These distances are the shortest ones among those previously found for the corresoponding ones. Eight 6-rings per unit cell are occupied by eight Na+ ions, each with a distance of 2.31 Å to three O(3) oxygens. The twelfth cation per unit cell is found as Na+ opposite 4-ring in the large cavities of M3Na9-A and assumed to be H+ for M3Na8H-A. With these noble non-framework cationic arrangements, larger M+ ions preferably on all larger 8-rings and the compact Na+ ions on all 6-rings, the bond angles in the 8-rings of M3-A, 145.1 and 161.0 respectively for (Si,Al)-O(1)-(Si,Al) and (Si,Al)-O(2)-(Si,Al), turned out to be remarkably stable and smaller, by more than 12 to 17°, than the corresponding angles found in the crystal structures of zeolites A with high concentration of M+ ions. It is to achieve these remarkably relaxed 8-rings, the main windows for the passage of gas molecules, with simultaneously maximized cavity volumes that M3-A have been selected as one of the efficient zeolite A systems for gas encapsulation.

Arg-Leu-Tyr-Glu Suppresses Retinal Endothelial Permeability and Choroidal Neovascularization by Inhibiting the VEGF Receptor 2 Signaling Pathway

  • Park, Wonjin;Baek, Yi-Yong;Kim, Joohwan;Jo, Dong Hyun;Choi, Seunghwan;Kim, Jin Hyoung;Kim, Taesam;Kim, Suji;Park, Minsik;Kim, Ji Yoon;Won, Moo-Ho;Ha, Kwon-Soo;Kim, Jeong Hun;Kwon, Young-Guen;Kim, Young-Myeong
    • Biomolecules & Therapeutics
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    • v.27 no.5
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    • pp.474-483
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    • 2019
  • Vascular endothelial growth factor (VEGF) plays a pivotal role in pathologic ocular neovascularization and vascular leakage via activation of VEGF receptor 2 (VEGFR2). This study was undertaken to evaluate the therapeutic mechanisms and effects of the tetrapeptide Arg-Leu-Tyr-Glu (RLYE), a VEGFR2 inhibitor, in the development of vascular permeability and choroidal neovascularization (CNV). In cultured human retinal microvascular endothelial cells (HRMECs), treatment with RLYE blocked VEGF-A-induced phosphorylation of VEGFR2, Akt, ERK, and endothelial nitric oxide synthase (eNOS), leading to suppression of VEGF-A-mediated hyper-production of NO. Treatment with RLYE also inhibited VEGF-A-stimulated angiogenic processes (migration, proliferation, and tube formation) and the hyperpermeability of HRMECs, in addition to attenuating VEGF-A-induced angiogenesis and vascular permeability in mice. The anti-vascular permeability activity of RLYE was correlated with enhanced stability and positioning of the junction proteins VE-cadherin, ${\beta}$-catenin, claudin-5, and ZO-1, critical components of the cortical actin ring structure and retinal endothelial barrier, at the boundary between HRMECs stimulated with VEGF-A. Furthermore, intravitreally injected RLYE bound to retinal microvascular endothelium and inhibited laser-induced CNV in mice. These findings suggest that RLYE has potential as a therapeutic drug for the treatment of CNV by preventing VEGFR2-mediated vascular leakage and angiogenesis.

Structural Analysis of Volatile Matters and Heavy Oil Fractions from Pyrolysis Fuel Oil by the Heat Treatment Temperature (열처리 온도에 따른 열분해 연료유 내 휘발유분 및 잔류 중질유분의 구조 분석)

  • An, Donghae;Kim, Kyung Hoon;Kim, Jong Gu;Lee, Young-Seak
    • Applied Chemistry for Engineering
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    • v.30 no.3
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    • pp.297-302
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    • 2019
  • In order to investigate structural changes of the pyrolysis fuel oil (PFO), the volatile matters and heavy oil fractions were separated from PFO by heat treatment temperature. As a result of $^1H-NMR$ analysis of volatile matters, 1~2 ring aromatic compounds contained in the petroleum residue were mostly removed at a temperature before $340^{\circ}C$. Moreover, new peaks corresponding to aliphatic hydrocarbons were detected at the chemical shift of 2.0~2.4 ppm. It is attributed that the aliphatic hydrocarbon sidechain was cracked from the aromatic compound by the cracking reaction occurred at $320^{\circ}C$. The C/H mole ratio and aromaticity increased with increasing the heat treatment temperature. Therefore, from the structural analysis results of heavy oil fractions and volatile matters from PFO, the decomposition of the aliphatic sidechain by cracking reaction and the separation of volatile matters by boiling point of components were mostly affected structure changes of the PFO.

Improvement of Antifungal Activity of for Water-Dispersed Cosmetic Formulations (수분산 제형의 화장품에 대한 항진균력 향상)

  • Lee, Ye Ji;Seo, Jae Yong;Yang, Hyeon Gap;Lee, Ju kyeong;Baek, Sol Bee;Cho, Hyun Dae;Jeong, Noh Hee
    • 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.

Clinical Results of Subtotal Fasciectomy for Treatment of Dupuytren Contracture (아전 근막절제술을 이용한 듀피트렌 구축의 치료 결과)

  • Lee, Yoon-Min;Song, Seok-Whan;Kim, Yong-Woo;Choi, Jae-Hoon
    • Journal of the Korean Orthopaedic Association
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    • v.54 no.4
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    • pp.353-360
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    • 2019
  • Purpose: In the treatment of Dupuytren's contracture, the aim of optical treatment is to lower the recurrence rate and reduce complications. This paper reports the results of subtotal fasciectomy in Dupuytren's contracture, extending the excision of palmar fascial structures from the diseased to normal appearing adjacent fascial structure. Materials and Methods: From 2007 to 2017, 45 patients with Dupuytren's contracture treated by subtotal fasciectomy were reviewed retrospectively. The mean follow-up period was 45.9 months. Ninety-two digits were involved (index: 2, middle: 10, ring: 44, little: 36). The predisposing factors and affected joint were reviewed and the preoperative and postoperative contracture was measured. For clinical results, quick disabilities of the arm, shoulder, and hand (quick DASH) were used. Complications, including wound or skin problems, nerve injuries, hematoma, and complex regional pain syndrome, were assessed. Results: Preoperative flexion contracture was 43.2° in the proximal interphalangeal joint and 32.9° in the metacarpophalangeal joint. In nine cases, patients had residual contracture of 9.7° (range, 5°-20°) on average and if the total number of cases were included, the mean residual contracture was 2.3° on average. The quick DASH score at the 12 months follow-up was 12.4. The overall complication rate was 26.6%. Conclusion: Subtotal fasciectomy can be a good surgical treatment option for Dupuytren's contracture with a low recurrence and low complication rate compared to other open procedures.

Theoretical analysis of erosion degradation and safety assessment of submarine shield tunnel segment based on ion erosion

  • Xiaohan Zhou;Yangyang Yang;Zhongping Yang;Sijin Liu;Hao Wang;Weifeng Zhou
    • Geomechanics and Engineering
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    • v.37 no.6
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    • pp.599-614
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    • 2024
  • To evaluate the safety status of deteriorated segments in a submarine shield tunnel during its service life, a seepage model was established based on a cross-sea shield tunnel project. This model was used to study the migration patterns of erosive ions within the shield segments. Based on these laws, the degree of deterioration of the segments was determined. Using the derived analytical solution, the internal forces within the segments were calculated. Lastly, by applying the formula for calculating safety factors, the variation trends in the safety factors of segments with different degrees of deterioration were obtained. The findings demonstrate that corrosive seawater presents the evolution characteristics of continuous seepage from the outside to the inside of the tunnel. The nearby seepage field shows locally concentrated characteristics when there is leakage at the joint, which causes the seepage field's depth and scope to significantly increase. The chlorine ion content decreases gradually with the increase of the distance from the outer surface of the tunnel. The penetration of erosion ions in the segment is facilitated by the presence of water pressure. The ion content of the entire ring segment lining structure is related in the following order: vault < haunch < springing. The difference in the segment's rate of increase in chlorine ion content decreases as service time increases. Based on the analytical solution calculation, the segment's safety factor drops more when the joint leaks than when its intact, and the change rate between the two states exhibits a general downward trend. The safety factor shows a similar change rule at different water depths and continuously decreases at the same segment position as the water depth increases. The three phases of "sudden drop-rise-stability" are represented by a "spoon-shaped" change rule on the safety factor's change curve. The issue of the poor applicability of indicators in earlier studies is resolved by the analytical solution, which only requires determining the loss degree of the segment lining's effective bearing thickness to calculate the safety factor of any cross-section of the shield tunnel. The analytical solution's computation results, however, have some safety margins and are cautious. The process of establishing the evaluation model indicates that the secondary lining made of molded concrete can also have its safety status assessed using the analytical solution. It is very important for the safe operation of the tunnel and the safety of people's property and has a wide range of applications.

Structure-activity relationships on the selective herbicidal activity between rice plant and barnyard grass by the N-phenyl substituents in 2-(4-(6-chloro-2-benzoxazolyloxy)-phenoxy)-N-phenyl propionamide derivatives (2-(4-(6-chloro-2-benzoxazolyloxy) phenoxy)-N-phenyl propionamide 유도체 중 N-phenyl 치환체들에 의한 벼와 피의 선택적 제초활성에 미치는 구조-활성관계)

  • Sung, Nack-Do;Lee, Sang-Ho;Chang, Hae-Sung;Kim, Dae-Whang;Kim, Jin-Suk
    • The Korean Journal of Pesticide Science
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    • v.3 no.3
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    • pp.11-19
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    • 1999
  • A some of synthesized 2-(4-(6-chloro-2-benzoxazolyloxy)phenoxy)-N-phenyl propionamide derivativesa substrates were found to selectivity significantly with both rice plant (Oryza sativa L.) and barnyard grass (Echinochloa crus-galli) for those her- bicidal activities with post emergence in up land. The selectivity of substrates against rice plant better than that of Fenoxaprop-ethyl. The structure activity relationship (SAR) n the selectivity of N-phenyl substituents were analyzed by the Free-Wilson and Hansch method. The SAR approach against barnyard grass is shown that the optimal ($({\pi})_{opt.}=1.60$) hydrophobicity and electron donating effects ($0<{\sigma}$ & 0$(ES)_{opt.}=0.87$) so that the herbicidal activity against rice plant can be decreased. The significance of these results on the selectivity between barnyard grass and rice plant is discussed. And it is assumed that the 2-ethoxy-3-methoxy-4-dimethylamino group substituent ($pI_{50}$=6.60, 1g/ha) is selected as the most highest herbicidal activity against barngard grass in green house.

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Structure activity relationship on the herbicidal activity by the N-phenyl substituents of 2-(4-(6-chloro-2-benzoxazolyloxy)phenoxy)-N-Phenylpropionamide derivatives in down land (수답에서 2-(4-(6-chloro-2-benz-oxazolyloxy)phenoxy)-N-phenylpropionamide 유도체 중 N-phenyl 치환체들의 제초활성)

  • Sung, Nack-Do;Lee, Sang-Ho;Ko, Young-Kwan;Lee, Kyung-Mo;Kim, Dae-Whang;Kim, Tae-Joon
    • The Korean Journal of Pesticide Science
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    • v.4 no.2
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    • pp.21-28
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    • 2000
  • A new fourty six 2-(4-(6-chloro-2-benzoxazolyloxy)phenoxy)-N-phenylpro- pionamide derivatives were synthesized and the herbicidal activities against rice plant and barnyard grass with pre-emergence in down land were measured. The structure activity relationships (SAR) between the activities and physicochemical parameters of the substituted(X) N-phenyl group in substrates were analyzed and discussed by Free- Wilson and Hansch method from the basis on the former study (Sung. et. al., 1999). The conditions of selective herbicide activity both the barnyard grass and rice plant are shown that the optimal hydrophobicity, $({\pi})_{opt.}=1.34$ and electron donating with field effect (F<0) of meta and ortho, para-substituted mono or disubstituent on the N-phenyl ring were found to contribute significantly. The herbicidal activities against barnyard grass are roughly the same as the results in up land whereas damage to rice plant in down land more increase than that of up land. Degradation products in water are 2-(4-(6-chloro-2-benzoxazolyloxy)phenoxy)propionic acid ((A)) (obs. pKa=4.35 & obs. logP=4.77) and 6-chloro-2-benzoxazolone (B) (obs. pKa=8.40 & obs. logP=2.90). These results were supposing that the hydrolysis product of substrates, (A) is comparatively absorbed in rice plant but not in barnyard grass. And it is assumed from the SAR equations that the 2,6-dimethyl-4-methoxymethyl group substituent ($pI_{50}=5.41$, 3g/ha) is selected as the most highest herbicidal activity against barnyard grass in green house.

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NMR Spectroscopy and Mass Spectrometry of Phenylethanol Galactoside synthesized using Escherichia coli 𝛽-Galactosidase (대장균 베타-갈락토시데이즈를 이용하여 합성된 Phenylethanol Galactoside의 NMR Spectroscopy 및 Mass spectrometry)

  • Lee, Hyang-Yeol;Jung, Kyung-Hwan
    • Journal of the Korean Applied Science and Technology
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    • v.37 no.5
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    • pp.1323-1329
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    • 2020
  • To characterize the molecular structure of PhE-gal synthesized using Escherichia coli 𝛽-gal, NMR (1H- and 13C-) spectroscopy and mass spectrometry of PhE-gal were conducted. 1H NMR spectrum of PhE-gal showed multiple peaks corresponding to the galactosyl group, which is an evidence of galactosylation on 2-phenylethanol (PhE). Downfield proton peaks at 𝛿H 7.30~7.21 ppm showed the presence of aromatic protons of PhE as well as benzyl CH2 protons at 𝛿H 2.88 ppm. Up field proton peaks at 𝛿H 4.31 ppm, 4.07 ppm and multiple peaks from 𝛿H 3.86~3.38 ppm are indicative of galactocylation on PhE. 13C NMR spectrum revealed the presence of 12 carbons suggestive of PhE-gal. Among 12 carbon peaks from PhE-gal, the four peaks at 138.7, 129.0, 128.6 and 126.5 were assigned aromatic carbons in the phenyl ring. Three peaks at 129.0, 128.6 and 126.5 showed high intensities, indicating CH aromatic carbons. 13C NMR data of PhE-gal showed 6 monosaccharide peaks from galactose and 2 peaks from aliphatic chain of PhE, indicating that PhE-gal was galactosyl PhE. The mass value (sodium adduct ion of PhE-gal, m/z = 307.1181) from mass spectrometry analysis of PhE-gal, and 1H and 13C NMR spectral data were in good agreement with the expecting structure of PhE-gal. We are expecting that through future study it will eventually be able to develop a new additive with low cytotoxicity.

Adsorption of Heavy Metal Cations by Fe and Al Hydroxides (철, 알루미늄 수산화물에 의한 중금속 Ion의 흡착)

  • Lee, Jyung-Jae;Chang, Sang-Moon;Choi, Jyung
    • Korean Journal of Soil Science and Fertilizer
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    • v.28 no.2
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    • pp.105-113
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    • 1995
  • Adsorption experiments of heavy metal cations by Fe- and Al-hydroxides was conducted to obtain clear information on their adsorption mechanisms. The adsorption isothermal curves of heavy metal cations by Fe- and Al-hydroxides conformed to Langmuir's equation. Increasing the crystallinity degree of Fe- and Al-hydroxides tended to decrease the adsorption capacity and binding energy of heavy metal cations. At the same crystallinity degree, Al-hydroxide showed higher adsorption capacity and energy for the heavy metal cations than Fe-hydroxide. The adsorption capacity and energy of heavy metal cations were directly related to CEC, specific surface area and charge density of hydroxides, and the sequence was in the order of $Cu^{+{+}}$ > $Zn^{+{+}}$ > $Cd^{+{+}}$. The adsorption mechanism of $M^{+{+}}$ form of heavy metal could be presumed as the specific adsorption of $M^{+{+}}$ and the desorption of two $H^+$ from the surface aquo($OH_2$) and/or hydroxo(-OH) group for each mole of $M^{+{+}}$ adsorbed. A ring structure between $M^{+{+}}$ and two surface aquo and/or hydroxo groups was postulated. Nonspecific adsorption involved the adsorption of $MCl^+$ and the desorption of one H+ from the surface aquo and/or hydroxo groups for each mole of $M^{+{+}}$ adsorbed. A single bond structure in which $MCl^+$ replaced one $H^+$ from the surface aquo and/or hydroxo groups was postulated. The ratio of specific to nonspecific adsorption increased with increasing pH.

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