• Title/Summary/Keyword: Hydrogen-bonding

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Study on Rheological Characterization of Polyacrylonitrile/Dimethyl Sulfoxide Solution with Change of Storage Times and Temperatures (시간 및 온도변화에 따른 폴리아크릴로니트릴/디메틸술폭시드 중합체 용액의 유변학적 특성 연구)

  • Yang, Jae-Yeon;Lee, Byoung-Min;Kuk, Yun-Su;Kim, Byoung-Suhk;Seo, Min-Kang
    • Composites Research
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    • v.32 no.1
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    • pp.71-77
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    • 2019
  • In this study, the structural and rheological characterizations of polyacrylonitrile(PAN)/dimethyl sulfoxide(DMSO) solutions for PAN fiber were investigated according to the change of storage times and temperatures. As a result, PAN/DMSO solutions exhibited a very characteristic rheological behavior with variation of temperature. The solutions showed an increase of complex viscosity and a decrease of loss tangent($tan{\delta}$) as temperature was increased over the temperature range of 40 and $70^{\circ}C$ and it could be seen that the viscosity rapidly increased at low frequency. These results indicated that the gel polymer and denser gel structure were formed due to the intermolecular hydrogen bonding of water in the polymer solution depending on the storage time.

Ethanol-pretreated Drying of (+)-dihydromyricetin for Removal of Residual Solvents (잔류 용매 제거를 위한 (+)-dihydromyricetin의 에탄올 전처리 건조)

  • Lee, Hee-Gun;Kim, Jin-Hyun
    • Korean Chemical Engineering Research
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    • v.60 no.2
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    • pp.237-242
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    • 2022
  • In this study, a drying method that can effectively remove residual solvent from (+)-dihydromyricetin was developed. Residual acetone concentration was efficiently removed below ICH-specified value (5,000 ppm) by simple rotary evaporation with ethanol pretreatment. In addition, the residual ethanol met the ICH-specified value (5,000 ppm) by simple rotary evaporation through the addition of water, and the residual moisture also met the specified value (<4%) for active pharmaceutical ingredients. At all the drying temperature (35, 45, and 55 ℃), a large amount of the residual solvent was initially removed during the drying, and the drying efficiency increased when increasing the drying temperature. Removal of residual solvent by ethanol pretreatment was shown to be related to high vapor pressure of acetone-ethanol mixture and hydrogen bonding between acetone and ethanol.

Integrative applications of network pharmacology and molecular docking: An herbal formula ameliorates H9c2 cells injury through pyroptosis

  • Zhongwen Qi;Zhipeng Yan;Yueyao Wang;Nan Ji;Xiaoya Yang;Ao Zhang;Meng Li;Fengqin Xu;Junping Zhang
    • 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.

Fabrication of Poly(vinyl alcohol)/Cellulose Film by Heterogeneous Saponification (불균일계 비누화를 통한 폴리비닐알코올/셀룰로오스 필름 제조)

  • Tae Young Kim;Mi Kyung Kim;Jinsoo Kim;Jungeon Lee;Jae Hoon Jung;Youngkwon Kim;Tae Hyeon Kim;Jeong Hyun Yeum
    • Textile Coloration and Finishing
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    • v.35 no.4
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    • pp.214-220
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    • 2023
  • Poly(vinyl alcohol) (PVA) is a common hydrophilic polymer that is synthesized through the saponification reaction of poly(vinyl ester)-based polymers, mostly using poly(vinyl acetate) (PVAc) as a precursor. The heterogeneous saponification reaction of poly(vinyl ester)-based films leads to PVA films with new surface properties. Cellulose acetate (CA), in which the hydroxyl group of cellulose is replaced by an acetyl group, is a typical cellulose derivative capable of overcoming the low processability of cellulose due to strong hydrogen bonding. In this study, P(VAc/VPi)/CA blended films were prepared by the solvent casting, and then PVA/Cellulose blended films with improved surface properties were prepared by heterogeneous saponification. The structural changes caused by heterogeneous saponification were confirmed by FT-IR analysis, where both saponification and deacetylation reactions occurred in the saponification solution. In addition, the surface property changes were analyzed by FE-SEM and contact angle analyses, and the transmittance changes of the modified films were also assessed.

Poly(vinyl alcohol)의 합성과 유변학적 성질

  • Lee, Jeong Kyung;Lee, Hyang Aee;Kim, Keyn Gyi
    • Journal of the Korean Chemical Society
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    • v.45 no.6
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    • pp.555-561
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    • 2001
  • Vinyl acetate usually used in PVA resin preparation was converted to PVAc by bulk polymerization using AIBN as a initiator and PVA was synthesized by changing the concentration of NaOH added for saponification subsequently. As a result of estimating molecular weight using GPC, molecular weight increased as the NaOH concentration increased to 2.5 N, 5.0 N, 7.5 N and 10.0 N and polydispersity had similar values of 2.1~2.3, however, showed slightly decreasing tendency. In addition, PVA saponificated by 10.0 N-NaOH showed high syndiotacticity in observation of tacticity using NMR spectroscopy. From this fact, the degree of tacticity was predicted to be high and it was in good agreement with the tendency of polydispersity by GPC. Also, from the result of FT-IR spectroscopy, it might be known that hydrolysis was more promoted in the PVA with 10.0 N-NaOH than other NaOH concentration. Intrinsic viscosity measured using Ubbelohde viscometer, which increased as the concentration of NaOH added for saponification increased. The change of shear strength with the change of shear rate was investigated using Brookfield viscometer, in consequence, viscosity of PVA synthesized decreased as shear rate increased. PVA solution confirmed to show the shear thining behavior by Casson plot and PVA with 10.0 N-NaOH had the largest yield value. DSC measurement was performed to know the thermal properties of PVA. Tp had nearly constant value of 214$^{\circ}C$ in all cases except for adding 2.5 N-NaOH and $\Delta$H was increased as the concentration of NaOH increased. From this properties, it was concluded that the degree of hydrogen bonding was proportional to the added concentration of NaOH and the increase of the degree of hydrogen bonding and hydrophobic interaction could affect the rheological and thermal properties of title compound.

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Characteristic of Aromatic Amino Acid Substitution at α96 of Hemoglobin

  • Choi, Jong-Whan;Lee, Jong-Hyuk;Lee, Kwang-Ho;Lee, Hyean-Woo;Sohn, Joon-Hyung;Yoon, Joon-Ho;Yeh, Byung-Il;Park, Seung-Kyu;Lee, Kyu-Jae;Kim, Hyun-Won
    • BMB Reports
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    • v.38 no.1
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    • pp.115-119
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    • 2005
  • Replacement of valine by tryptophan or tyrosine at position $\alpha$96 of the $\alpha$ chain ($\alpha$96Val), located in the ${\alpha}_1{\beta}_2$ subunit interface of hemoglobin leads to low oxygen affinity hemoglobin, and has been suggested to be due to the extra stability introduced by an aromatic amino acid at the $\alpha$96 position. The characteristic of aromatic amino acid substitution at the $\alpha$96 of hemoglobin has been further investigated by producing double mutant r Hb ($\alpha$42Tyr$\rightarrow$ Phe, $\alpha$96Val$\rightarrow$Trp). r Hb ($\alpha$42Tyr$\rightarrow$Phe) is known to exhibit almost no cooperativity in binding oxygen, and possesses high oxygen affinity due to the disruption of the hydrogen bond between $\alpha$42Tyr and $\beta$99Asp in the ${\alpha}_1{\beta}_2$ subunit interface of deoxy Hb A. The second mutation, $\alpha$96Val$\rightarrow$Trp, may compensate the functional defects of r Hb ($\alpha$42Tyr$\rightarrow$Phe), if the stability due to the introduction of trypophan at the $\alpha$96 position is strong enough to overcome the defect of r Hb ($\alpha$42Tyr$\rightarrow$Phe). Double mutant r Hb ($\alpha$42Tyr$\rightarrow$Phe, $\alpha$96Val$\rightarrow$Trp) exhibited almost no cooperativity in binding oxygen and possessed high oxygen affinity, similarly to that of r Hb ($\alpha$42Tyr$\rightarrow$Phe). $^1$H NMR spectroscopic data of r Hb ($\alpha$42Tyr$\rightarrow$Phe, $\alpha$96Val$\rightarrow$Trp) also showed a very unstable deoxy-quaternary structure. The present investigation has demonstrated that the presence of the crucible hydrogen bond between $\alpha$42Tyr and $\beta$99Asp is essential for the novel oxygen binding properties of deoxy Hb ($\alpha$96Val$\rightarrow$Trp).

Effect of substrate bias voltage on a-C:H film (기판 bias 전압이 a-C:H 박막의 특성에 미치는 영향)

  • 유영조;김효근;장홍규;오재석;김근식
    • Journal of the Korean Vacuum Society
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    • v.6 no.4
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    • pp.348-353
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    • 1997
  • Hydrogenated amorphous carbon(a-C:H) films were deposited on p-type Si(100) by DC saddle-field plasma enhanced CVD to investigate the effect of substrate bias on optical properties and structural changes. They were deposited using pure methane gas at a wide range of substrate bias at room temperature and 90 mtorr. The substrate bias voltage ($V_s$) was employed from $V_s=0 V$ to $V_s=400 V$. The information of optical properties was investigated by photoluminescence and transmitance. Chemical bondings of a-C:H have been explored from FT-IR and Raman spectroscopy. The thickness and relative hydrogen content of the films were measured by Rutherford backscattering spectroscopy (RBS) and elastic recoil detection (ERD) technigue. The growth rate of a-C:H film was decreased with the increase of $V_s$, but the hydrogen content of the film was increased with the increase of $V_s$. The a-C:H films deposited at the lowest $V_s$ contain the smallest amount of hydrogen with most of C-H bonds in the of $CH_2$ configuration, whereas the films produced at higher $V_s$ reveal dominant the $CH_3$ bonding structure. The emission of white photoluminescence from the films were observed even with naked eyes at room temperature and the PL intensity of the film has the maximum value at $V_s$=200 V. With $V_s$ lower than 200 V, the PL intensity of the film increased with V, but for V, higher than 200 V, the PL intensity decreased with the increase of $V_s$. The peak energy of the PL spectra slightly shifted to the higher energy with the increase of $V_s$. The optical bandgap of the film, determined by optical transmittance, was increased from 1.5 eV at $V_s$=0V to 2.3 eV at $V_s$=400 V. But there were no obvious relations between the PL peak and the optical gap which were measured by Tauc process.

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Kinetics Change of the R-134a Gas Hydrate Formation in Seawater with the Addition of Edible Surfactants (R-134a 가스 하이드레이트 형성 속도에 미치는 식용 계면활성제 첨가의 영향)

  • Jeong, Hui Cheol;Kim, A Ram;Lim, Jun-Heok;Won, Yong Sun
    • Clean Technology
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    • v.22 no.3
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    • pp.154-160
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    • 2016
  • For any conceivable desalination process using the gas hydrate formation, the kinetics has to be one of the most important parameters from the economic point of view. We thus were to improve the kinetics of the R-134a (also known as HFC-134a) gas hydrate formation by using promoters and three different kinds of edible surfactants were selected for the desalination process targeted to produce potable water; κ-carrageenan, lecithin, and polysorbate 80 among anionic, amphoteric, and nonionic surfactants, respectively. Then, the kinetics change of the R-134a hydrate formation was monitored by varying the surfactant concentration. Experimental results demonstrated that the rate of R-134a hydrate formation increases with the addition of edible surfactants in general and the effect as a promotor has an order of polysorbate 80 > κ-carrageenan > lecithin. As a supportive measure, the atomic charges of each surfactant were calculated by using a DFT (density functional theory)-based molecular modeling and the results showed a positive relationship between the promotor effect of each surfactant and the number of oxygens available for hydrogen bonding and the negativity of their atomic charge values.

Effect of PVP on CO2/N2 Separation Performance of Self-crosslinkable P(GMA-g-PPG)-co-POEM) Membranes (자가가교형 P(GMA-g-PPG)-co-POEM) 분리막의 이산화탄소/질소 분리 성능에 대한 PVP의 영향)

  • Kim, Na Un;Park, Byeong Ju;Park, Min Su;Kim, Jong Hak
    • Membrane Journal
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    • v.28 no.2
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    • pp.113-120
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    • 2018
  • Global warming due to indiscriminate carbon dioxide emissions has a profound impact on human life by causing abnormal climate change and ecosystem destruction. As a way to reduce carbon dioxide emissions, in this study, we presented a polymeric membrane prepared by blending a self-crosslinkable P(GMA-g-PPG)-co-POEM (SP) copolymer and commercial polymer polyvinylpyrrolidone (PVP). As the content of PVP increased, it was observed that the gas permeance decreased and $CO_2/N_2$ selectivity increased. At 30 wt% PVP content, the $CO_2$ permeance of the membrane decreased from 72.9 GPU of pure SP polymer to 12.6 GPU, while $CO_2/N_2$ selectivity improved by 79% from 28.1 to 50.4. It results from the hydrogen bonding between the SP copolymer and PVP, leading to more compact structure of the polymer chains, which was confirmed by FT-IR, TGA, XRD and SEM analysis. Therefore, we suggest that the permeance and selectivity of the membranes can be easily adjusted as desired by controlling the PVP content in the SP/PVP polymer blend.

Phase Behavior of Poly(ethylene-co-vinyl alcohol)-Solvent System at High Pressure (고압에서 폴리(에틸렌/비닐 알코올) 공중합체-용매계의 상거동에 관한 연구)

  • Byun, Hun-Soo;Kim, Chong-Bae
    • Applied Chemistry for Engineering
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    • v.9 no.3
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    • pp.424-429
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    • 1998
  • Cloud-point data at $230^{\circ}C$ and 1,800 bar are presented for two poly(ethylene-co-vinyl alcohol)(PEVA) copolymers[9.9mol% and 17.8mol% vinyl alcohol(VA)] in ethylene, propane, propylene, n-butane, 1-butene, dimethyl ether(DME), and chlorodifluromethane(CDFM). The static type experimental apparatus with a view cell has been used for the experiment at the high pressure and temperature. The pressure-temperature (P-T) loops of PEVA(9.9mol% VA) copolymer-DME mixtures are presented at copolymer concentrations of 1.4wt% to 20.0wt%. Also, we presented the phase behavior of PEVA(17.8mol% VA) copolymer-DME system at copolymer concentration of 1.9wt% to 6.8wt%. The cloud-point curves for the PEVA copolymers in dimethyl ether showed single phase above 480 bar as a result of the hydrogen bonding between the vinyl alcohol unit and dimethyl ether. The pressure-concentration(P-x) isotherm loops of PEVA(9.9mol% and 17.8mol% VA)-DME system are obtained. The cloud-point curves for PEVA(9.9mol% and 17.8 mol% VA) copolymers andthe ethylene, propane, propylene, n-butane, 1-butene, and CDFM all show negative slopes of phase behavior and are located at pressures below 1,800 bar. For PEVA copolymer-DME system(9.9mol% VA), cloud-point curves show positive slopes that decrease in pressures with decrease in temperature in the temperature range of $80^{\circ}C$ to $160^{\circ}C$.

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