• Applied Chemistry for Engineering
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• v.20 no.6
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• pp.685-691
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• 2009

Dispersions of fumed silica are made in 6 kinds of mono-solvents and mixed solvents which have hydroxyl group, non hydroxyl group, different polarity, and different molecular size. The viscosity and rheology behaviors of the each dispersion are investigated according to the viewpoint of solvent characteristic. The silica dispersion in polar solvent with hydroxyl group is stable and low viscous sol. The silica dispersion in non-polar solvent with non-hydroxyl group is high viscous gel. When the solvent with hydroxyl group is added to the silica dispersions with non-polar solvents, they show the reduction of viscosity with solvent content. They have minimum critical content which shows no viscosity change. The minimum critical solvent content is decreased according to the polarity of solvents with no hydroxyl group. The solvation layer which is formed on the silica surface through hydrogen bonding between hydroxyl-containing solvent and the silanol group of silica surface is the reason of stable and low viscous sol. In case of non-polar solvent, silanol on adjacent silica particles interacted directly by hydrogen bonding show high viscous and flocculated gel.

• Journal of Adhesion and Interface
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• v.15 no.4
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• pp.161-168
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• 2014

New self-assembled discotic liquid crystals have been prepared through single hydrogen bonding between phenol and pyridine moieties, and their liquid crystalline properties were investigated. For the construction of discotic structure, we used phloroglucinol as a core molecule and trans-4-alkoxy-4'-stilbazoles with systematically varied alkyl chain lengths as peripheral units. FTIR results showed that the intermolecular hydrogen bonds between core and peripheral molecules are successfully formed, and the stability of the hydrogen bond is strongly influenced by molecular ordering. Discotic complexes exhibited different liquid crystalline phases depending on the length of alkyl chains around the discotic mesogen. The discotic complexes with longer alkyl chains showed hexagonal columnar mesophases, while the other complexes formed nematic columnar mesophases. These results indicated that the type of mesophase structure was strongly dependent on the alkyl chain length around the aromatic core.

• Journal of the Korean Chemical Society
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• v.53 no.3
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• pp.266-271
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• 2009

In the recently synthesized rare earth transition metal carbide $La_7O_{s4}C_9$ one finds one-dimensional organometallic $[O_{s4}C_9]^{21-}$ polymers embedded in a $La^{3+}$ ionic matrix. The electronic structure of the polymeric $[O_{s4}C_9]^{21-}$ chain was investigated by density of states (DOS) and crystal orbital overlap population (COOP), using the extended Huckel algorithm. A fragment molecular orbital analysis is used to study the bonding characteristics of the $C_2$ units in $La_7O_{s4}C_9$ containing $C_2$ units and single C atoms as well. The title compound contains partially filled Os and carbon bands leading to metallic conductivity. As the observed distances already indicated, the calculations show extensive Os-C interactions. The C-C bond distance in the diatomic $C_2$ units ($d_{C-C}$=131 pm) in the solid is significantly increased relative to $${C_2}^{2-}$$ or acetylene, because antibonding $1{\pi}_g$ orbitals are partially filled by the Os-$C_2(1\;{\pi}_g)$ bonding contribution found at and below the Fermi level.

• Bulletin of the Korean Chemical Society
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• v.35 no.9
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• pp.2787-2790
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• 2014

Quercetin is a major dietary flavonoid found in onions, apples, tea, and red wine, and potentially has beneficial effects on disease prevention. We carried out this study to investigate the effect of quercetin on UVB-induced matrix metalloproteinase-1 (MMP-1) expression in human keratinocyte HaCaT cells and to further understand the mechanisms of its action. The anti-inflammatory activity of quercetin was investigated and quercetin significantly suppressed the NO production in LPS-stimulated RAW264.7 mouse macrophages. Post treatment of quercetin decreased UV irradiation-induced phosphorylation of JNK, p38 MAPK, and ERK by 91%, 21%, and 17%, respectively. MMP-1 is mainly responsible for the degradation of dermal collagen during the aging process of human skin and quercetin suppressed the UVB-induced MMP-1 by 94%. Binding studies revealed that quercetin binds to p38 with high binding affinity ($1.85{\times}10^6M^{-1}$). The binding model showed that the 4'-hydroxy groups of the B-ring of quercetin participated in hydrogen bonding interactions with the side chains of Lys53, Glu71, and Asp168 and the 5-hydroxy group of the A-ring formed a hydrogen bond with the backbone amide of Met109. The major finding of this study shows that quercetin inhibits phosphorylation of JNK, p38 MAPK, and ERK pathway leading to the prevention of MMP-1 expression in human keratinocyte HaCaT cells. Therefore, our findings suggested the potentials of quercetin as a skin anti-photoaging agent.

• Macromolecular Research
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• v.14 no.2
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• pp.173-178
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• 2006

Poly(3-(2-hydroxyethyl)thiophene) (P3HET) was synthesized using oxidative coupling polymerization that involved the protecting and deprotecting of hydroxyl groups but not the chlorine substitution or oxidative decomposition of the hydroxyl groups. The resulting P3HET exhibited good solubility in aprotic solvents, in contrast to the insoluble polymer product synthesized directly from the monomer, 3-(2-hydroxyethyl)thiophene (3HET). P3HET had low conductivity due to the strong hydrogen bonding of its hydroxyl groups. The ester-functionalized poly(3-(2-acetoxyethyl)thiophene) and poly(3-(4-pentylbenzoateethyl)thiophene) were also prepared with reasonably high molecular weights in order to examine how this functionalization modified the physical and chemical properties of P3HET. These polymers exhibited better solubility in common solvents and higher conductivity than P3HET. All these polymers exhibited bathochromic shifts of their film state absorption maxima with respect to those found in the UV-visible spectra of their solution phases. The extent of the bathochromic shift was found to vary with the lengths of the side chains of the ester-functionalized polymers.

• Bulletin of the Korean Chemical Society
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• v.32 no.8
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• pp.2695-2699
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• 2011

${\beta}$ Ketoacyl acyl carrier protein synthase III (KAS III) initiates fatty acid synthesis in bacteria and is a key target enzyme to overcome the antibiotic resistance problem. In our previous study, we found flavonoid inhibitors of Enterococcus faecalis KAS III and proposed three potent antimicrobial flavonoids against Enterococcus faecalis and Vancomycin-resistant Enterococcus faecalis with MIC values in the range of 128-512 ${\mu}g/mL$ as well as high binding affinities on the order from $10^6$ to $10^7\;M^{-1}$. Using these series of flavonoids, we conducted biological assays as well as docking study to find potent flavonoids inhibitors of Staphylococcus aureus KAS III with specificities against Staphylococcus aureus and Methicillin-resistant Staphylococcus aureus. Here, we propose that naringenin (5,7,4'-trihydroxyflavanone) and eriodictyol (5,7,3',4'-tetrahydroxyflavanone) are potent antimicrobial inhibitors of Staphylococcus aureus KAS III with binding affinity of $3.35{\times}10^5$ and $2.01{\times}10^5\;M^{-1}$, respectively. Since Arg38 in efKAS III is replaced with Met36 in saKAS III, this key difference caused one hydrogen bond missing in saKAS III compared with efKAS III, resulting in slight discrepancy in their binding interactions as well as decrease in binding affinities. 4'-OH and 7-OH of these flavonoids participated in hydrogen bonding interactions with backbone carbonyl of Phe298 and Ser152, respectively. In particular, these flavonoids display potent antimicrobial activities against various MRSA strains in the range of 64 to 128 ${\mu}M$ with good binding affinities.

• Journal of Ginseng Research
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• v.47 no.2
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• pp.228-236
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• 2023

Background: QiShen YiQi pills (QSYQ) is a Traditional Chinese Medicine (TCM) formula, which has a significant effect on the treatment of patients with myocardial infarction (MI) in clinical practice. However, the molecular mechanism of QSYQ regulation pyroptosis after MI is still not fully known. Hence, this study was designed to reveal the mechanism of the active ingredient in QSYQ. Methods: Integrated approach of network pharmacology and molecular docking, were conducted to screen active components and corresponding common target genes of QSYQ in intervening pyroptosis after MI. Subsequently, STRING and Cytoscape were applied to construct a PPI network, and obtain candidate active compounds. Molecular docking was performed to verify the binding ability of candidate components to pyroptosis proteins and oxygen-glucose deprivation (OGD) induced cardiomyocytes injuries were applied to explore the protective effect and mechanism of the candidate drug. Results: Two drug-likeness compounds were preliminarily selected, and the binding capacity between Ginsenoside Rh2 (Rh2) and key target High Mobility Group Box 1 (HMGB1)was validated in the form of hydrogen bonding. 2 μM Rh2 prevented OGD-induced H9c2 death and reduced IL-18 and IL-1β levels, possibly by decreasing the activation of the NLRP3 inflammasome, inhibiting the expression of p12-caspase1, and attenuating the level of pyroptosis executive protein GSDMD-N. Conclusions: We propose that Rh2 of QSYQ can protect myocardial cells partially by ameliorating pyroptosis, which seems to have a new insight regarding the therapeutic potential for MI.

• Polymer(Korea)
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• v.24 no.4
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• pp.488-498
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• 2000

Molecular bottle-brush was prepared by hydrogen-bonding between poly(4-vinylpyridine)(P4VP) as main chain and 3-pentadecylphenol (PDP) as amphiphilic side chain. Variation of long period ( $L_{p}$), order-disorder transition temperature ( $T_{ODT}$) and mesomorphic structure of bottle-brush were investigated by changing various mole ratio (x) of pyridine group in P4VP and PDP and molecular weight of P4VP. Upper critical solution temperature (UCST) behaviour was observed. For x 0.8-0.9, maximum critical temperature was found. As molecular weight of P4VP was increased, phase transition occurred at higher temperature. It was found that phase behaviour of the bottle-brush was affected by mobility of P4VP as well as size and regularity of lamellar structure. The $L_{p}$ determined from analysis of crystal structure was in the range of 35 $\AA$ and 40 $\AA$ and was more affected by the molecular weight of P4VP than by mole ratio (x). However, if the molecular weight of P4VP was high, LP value was little affected.ted.d.

• Journal of the Korean Wood Science and Technology
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• v.17 no.2
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• pp.20-25
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• 1989

This study was carried out in order to investigate the treatment effect of PEG soln which is a common dimensional stabilizer to green log. sawing panel etc, on bonding product including plywood widely-used in secondary processing unit. The 30% concentration of aqueous PEG soln. with molecular weight of 400, 1.000 and 4,000 were prepared respectively, and also dipping the veneer in the PEG soln. spreading the PEG soln. on veneer and mixing the PEG soln. in the adhesive were allowed. Then the ratio of PEG impregnation on veneer, the adhesive strength of plywood were epitomized as follows: The ratio of impregnation by PEG 4,000 at dipping condition was highest. while that by PEG 400 at same condition was lowest. However, the effect of PEG molecular weight on the ratio of impregnation at spreading condition did not occur. 2. The adhesive strength was great in the order of 4,000>400>1,000 in molecular weight of PEG at dipping and spreading conditions. In case of mixing the PEG soln. in the adhesive, the adhesive strength was great in the order of 400>1,000>4,000 in molecular weight of PEG. Throughout three treatment conditions, PEG 400 was relatively favourable with about 10kg/$cm^2$ dry strength. 3. The adhesive strength was great 10 the order of spreading >dipping >mixing condition. 4. Although adhesive strength with the 30% concentration of aqueous PEG soln. was decreased by 35% and over, compared to control (non-treatment) adhesive strength, all types of PEG treatment except mixing the PEG soln. in the adhesive exceeded the standard dry strength for common use panel. 7.5kg/$cm^2$. 5. In warm water-proof test, the adhesive strengths by all PEG treatment conditions were less than the standard wet strength, 7.5kg cot, and also delamination of glue line occured mostly in mixing in the PEG soln. in the adhesive condition.

• Proceedings of the Korean Vacuum Society Conference
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• 2013.02a
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• pp.186-186
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• 2013

Nitrogen doped Ge-Sb-Te (N-GST) thin films for phase change random access memory (PRAM) applications were investigated by synchrotron-radiation-based x-ray photoelectron spectroscopy and absorption spectroscopy. Nitrogen doping in GST resulted in more favorable N atoms' bonding with Ge atoms rather than with Sb and Te atoms [1,2], which explains the higher phase change transition temperature than that of undoped Ge-Sb-Te thin film. Surprisingly, it was noticed that N atoms also existed in the form of molecular nitrogen, $N_2$, which is detrimental to the stability of the GST performance [3]. N-doped GST experimental features were also supported by ab-initio molecular dynamic calculations [2]. References [1] M.-C. Jung, Y. M. Lee, H.-D. Kim, M. G. Kim, and H. J. Shin, K. H. Kim, S. A. Song, H. S. Jeong, C. H. Ko, and M. Han, "Ge nitride formation in N-doped amorphous Ge2Sb2Te5", Appl. Phys. Lett. 91, 083514 (2007). [2] Zhimei Sun, Jian Zhou, Hyun-Joon Shin, Andreas Blomqvist, and Rajeev Ahuja, "Stable nitride complex and molecular nitrogen in N doped amorphous Ge2Sb2Te5", Appl. Phys. Lett. 93, 241908 (2008). [3] Kihong Kim, Ju-Chul Park, Jae-Gwan Chung, and Se Ahn Song, Min-Cherl Jung, Young Mi Lee, Hyun-Joon Shin, Bongjin Kuh, Yongho Ha, Jin-Seo Noh, "Observation of molecular nitrogen in N-doped Ge2Sb2Te5", Appl. Phys. Lett. 89, 243520 (2006).