• Title/Summary/Keyword: Hydrogen bonding network

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Studies on the Morphology and Thermal Properties of the Polyurethane Synthesized from 4,4'-Diphenylmethane Diisocyanate (MDI) and Polyester Polyol (4,4'-Diphenylmethane Diisocyanate (MDI)와 폴리에스테르 폴리올로부터 합성된 폴리우레탄의 모폴로지와 열적 성질에 관한 연구)

  • Jung Hyun Chul;Kang Sung Joong;Kim Woo Nyon;Kim Sang Bum;Lee Yeong Beom;Hong Seong Ho
    • Journal of the Korean Institute of Gas
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    • v.2 no.1
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    • pp.59-65
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    • 1998
  • Morphology and thermal properties of polyurethane synthesized from 4,4'-diphenylmethane diisocyanate (MDI), polyester polyol, and 1,4-butane diol are investigated using fourier transform infrared spectroscopy (FT-IR), differential scanning calorimeter (DSC), and dynamic mechanical thermal analysis (DMTA). From the FT-IR study, it is found that the stretching peaks of hydrogen bonded N-H and C=O are shifted to the low frequencies with the increase of hard segment content of the polyurethanes. The shift of the stretching peaks of hydrogen bonded N-H and C=O indicates that the degree of hydrogen bonding is increased. From the DSC study, it appears that the glass transition temperature ($T_g$) of the polyurethanes is increased with the increase of the hard segment content. Also, it is found that the polyurethanes investigated in this study have the homogeneous network structure due to the high functionality of the MDI. From the DMTA study, transition of the soft segment was not found. Therefore it is concluded that the polyurethanes investigated in this study have the one-phase morphology which is consistent with the DSC results.

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Characterization and Construction of Chemical Vapor Deposition by using Plasma (rf 플라즈마 화학기상증착기의 제작 및 특성)

  • 김경례;김용진;현준원;이기호;노승정;최병구
    • Journal of the Korean institute of surface engineering
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    • v.33 no.2
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    • pp.69-76
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    • 2000
  • The rf plasma chemical vapor deposition is a common method employed for diamond or amorphous carbon deposition. Diamond possesses the strongest bonding, as exemplified by a number of unique properties-extraordinary hardness, high thermal conductivity, and a high melting tempera tore. Therefore, it is very important to investigate the synthesis of semiconducting diamond and its use as semiconductor devices. An inductively coupled rf plasma CVD system for producing amorphous carbon films were developed. Uniform temperature and concentration profiles are requisites for the deposition of high quality large-area films. The system consists of rf matching network, deposition chamber, pumping lines for gas system. Gas mixtures with methane, and hydrogen have been used and Si (100) wafers used as a substrate. Amorphous carbon films were deposited with methane concentration of 1.5% at the process pressure of S torr~20 torr, and process temperature of about $750^{\circ}C$. The nucleation and growth of the amorphous carbon films have been characterized by several methods such as SEM and XRD.

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The Crystal and Molecular Structure of Phthalylsulfacetamide

  • Shin, Whan-Chul;Kim, Young-Chang;Koo, Chung-Hoe
    • Bulletin of the Korean Chemical Society
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    • v.5 no.1
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    • pp.23-26
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    • 1984
  • The crystal structure of phthalylsulfacetamide, one of the long-acting 'sulfa' drugs, has been determined by the X-ray diffraction methods. The crystal is monoclinic with cell dimensions of a = 7.980(3), b = 12.784(2), c = 18.064(7) ${\AA}$ and ${\beta}$= $112.94(2)^{\circ}$, space group $P2_1$/c and Z = 4. The structure was solved by the direct methods and refined to R = 0.048. The sulfonylacetamide moiety is folded with respect to the central phenyl ring and the benzamide and benzoyl planes are nearly perpendicular to each other. This conformation is consistent with those of the relevant molecules containing the corresponding moieties. All of the molecules in the crystal lattice are connected by a three-dimensional hydrogen bonding network.

Drug Release Control of Poloxamer-Poly(acrylic acid) Interpenetrating Polymer Networks (폴록사머-폴리아크릴산 IPNs의 약물 조절 방출)

  • Byun, Eun-Jung;Park, Joo-Ae;Lee, Seung-Jin;Kim, Kil-Soo
    • YAKHAK HOEJI
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    • v.41 no.1
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    • pp.22-29
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    • 1997
  • Poloxamer-poly (acrylic acid) (PAA) interpenetrating polymer networks (IPNs) were prepared via matrix polymerization of acrylic acid with poloxamer prepolymer. The equilibrium s welling of poloxamer/PAA IPNs was determined in various pH medium. The swelling of poloxamer/PAA IPNs was more affected by pH difference compared with the swelling of homo PAA gel due to protonation and deprotonation of the PAA network, followed by reversible formation and dissociation of the interpolymer complex due to hydrogen bonding between acidic hydrogens and ether oxygens. Nonionic/anionic/cationic drugs were incorporated into IPN matriceds as a model drug and their release behavior was studied. Nonionic, drug revealed release patterns depending solely on pH dependent swelling kinetics. In contrast, the release of ionic drugs was significantly affected by ionic drug-polymer interaction as well as the swelling kinetics.

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Interaction Models of Substrate Peptides and β-Secretase Studied by NMR Spectroscopy and Molecular Dynamics Simulation

  • Lee, Jee-Young;Lee, Sung-Ah;Kim, Jin-Kyoung;Chae, Chi-Bom;Kim, Yangmee
    • Molecules and Cells
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    • v.27 no.6
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    • pp.651-656
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    • 2009
  • The formation of ${\beta}$-amyloid peptide ($A{\beta}$) is initiated from cleavage of amyloid precursor protein (APP) by a family of protease, ${\alpha}$-, ${\beta}$-, and ${\gamma}$-secretase. Sub W, a substrate peptide, consists of 10 amino acids, which are adjacent to the ${\beta}$-cleavage site of wild-type APP, and Sub M is Swedish mutant with double mutations on the left side of the ${\beta}$-cleavage site of APP. Sub W is a normal product of the metabolism of APP in the secretary pathway. Sub M is known to increase the efficiency of ${\beta}$-secretase activity, resulting in a more specific binding model compared to Sub W. Three-dimensional structures of Sub W and Sub M were studied by CD and NMR spectroscopy in water solution. On the basis of these structures, interaction models of ${\beta}$-secretase and substrate peptides were determined by molecular dynamics simulation. Four hydrogen bonds and one water-mediated interaction were formed in the docking models. In particular, the hydrogen bonding network of Sub M-BACE formed spread over the broad region of the active site of ${\beta}$-secretase (P5-P3'), and the side chain of P2- Asn formed a hydrogen bond specifically with the side chain of Arg235. These are more favorable to the cleavage of Sub M by ${\beta}$-secretase than Sub W. The two substrate peptides showed different tendency to bind to ${\beta}$-secretase and this information may useful for drug development to treat and prevent Alzheimer's disease.

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.

keV and MeV Ion Beam Modification of Polyimide Films

  • Lee, Yeonhee;Seunghee Han;Song, Jong-Han;Hyuneui Lim;Moojin Suh
    • Proceedings of the Korean Vacuum Society Conference
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    • 2000.02a
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    • pp.170-170
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    • 2000
  • Synthetic polymers such as polyimide, polycarbonate, and poly(methyl methacrylate) are long chain molecules which consist of carbon, hydrogen, and heteroatom linked together chemically. Recently, polymer surface can be modified by using a high energy ion beam process. High energy ions are introduced into polymer structure with high velocity and provide a high degree of chemical bonding between molecular chains. In high energy beam process the modified polymers have the highly crosslinked three-dimensionally connected rigid network structure and they showed significant improvements in electrical conductivity, in hardness and in resistance to wear and chemicals. Polyimide films (Kapton, types HN) with thickness of 50~100${\mu}{\textrm}{m}$ were used for investigations. They were treated with two different surface modification techniques: Plasma Source Ion Implantation (PSII) and conventional Ion Implantation. Polyimide films were implanted with different ion species such as Ar+, N+, C+, He+, and O+ with dose from 1 x 1015 to 1 x 1017 ions/cm2. Ion energy was varied from 10keV to 60keV for PSII experiment. Polyimide samples were also implanted with 1 MeV hydrogen, oxygen, nitrogen ions with a dose of 1x1015ions/cm2. This work provides the possibility for inducing conductivity in polyimide films by ion beam bombardment in the keloelectronvolt to megaelectronvolt energy range. The electrical properties of implanted polyimide were determined by four-point probe measurement. Depending on ion energy, doses, and ion type, the surface resistivity of the film is reduced by several orders of magnitude. Ion bombarded layers were characterized by Time-of-Flight Secondary Ion Mass Spectrometry (TOF-SIMS), XPS, and SEM.

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Effect of Asp193 on Proton Affinity of the Schiff Base in pharaonis phoborhodopsin

  • Iwamoto, Masayuki;Furutani, Yuji;Sudo, Yuki;Shimono, Kazumi;Kandori, Hideki;Kamo, Naoki
    • Journal of Photoscience
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    • v.9 no.2
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    • pp.305-307
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    • 2002
  • Spectroscopic titration of D 193N and D 193E mutants of pharaonis phoborhodopsin (ppR) were performed to evaluate the pK$_{a}$ of the Schiff base Asp 193 corresponds to Glu204 of bacteriorhodopsin (bR). The pK$_{a}$ of the Schiff base (SBH$^{+}$) of D193N was 10.1~10.0 (at XH$^{+}$) and 11.4~11.6 (at X) depending on the protonation state of a certain residue (designated by X) and independent on CI$^{[-10]}$ , while those of the wild-type and D193E were> 12. pK$_{a}$ of XH$^{+}$ were; 11.8~11.2 at the state of SB, 10.5 at SBH$^{+}$ state in the presence of CI$^{[-10]}$ , and 9.6 at SBH$^{+}$ without CI$^{[-10]}$ These imply the presence of a long-range interaction in the extracellular channel.r channel.

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The preparation of ultra hard nitrogenated DLC film by $N_2^+$ implantation

  • Olofinjana, A.O.;Chen, Z.;Bell, J.M.
    • Proceedings of the Korean Society of Tribologists and Lubrication Engineers Conference
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    • 2002.10b
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    • pp.165-166
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    • 2002
  • Hydrogen free diamond like carbon (DLC) films were prepared on steel substrates by using a single ion beam in a configuration that allowed sputtering of a graphite target and at the same time allowed to impact the substrate at a grazing angle. The DLC films so prepared have improved properties with increased disorder and with modest hardness that is slightly higher than previously reported values. We have studied the effects of $N_2^+$ ions implantation on such films. It is found that the implantations of nitrogen ions into DLC films lead to chemical modifications that allowed N atoms to be incorporated into the carbon network to produce a nitrogenated DLC. Nano-indentation experiments indicated that the nitrogenated films have consistently higher hardnesses ranging from 30 to 45GPa, which represents a considerable increase in surface hardness, compared with non-nitrogenated precursor films. The investigations by XPS and Raman spectroscopy suggests that the $N_2^+$ implanted DLCs had undergone both chemical and structural modifications through the incorporation of N atoms and the increased ratio of $sp^3/sp^2$ type bonding. The observed high hardness was therefore attributable to these structural and chemical modifications. This result has implication for the preparation of super hard wear resistant films required for tribological functions in devices.

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Synthesis and X-ray Crystal Structure of the Ethylenediammonium Monohydric Phosphate (Ethylenediammonium Monohydric Phosphate의 합성 및 X-선 결정구조)

  • Tae-Sun Chang;Chong-Hyeak Kim;Deug-Hee Cho;Dong-Koo Lee;Tianyou Song
    • Korean Journal of Crystallography
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    • v.13 no.2
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    • pp.96-100
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    • 2002
  • The title compound, (H/sub 3/NCH/sub 2/CH/sub 2/NH/sub 3/)HPO/sub 4/ (Ⅰ), has been synthesized by hydrothermal technique for the first time and its novel structure analyzed by X-ray single crystallography. The compound (Ⅰ) crystallizes in the monoclinic system, P2/sub 1//c space group with a=10.209(1), b=7.891(1), c= 8.039(1) (equation omitted), β= 92.138(9)°, V=: 647.2(2) (equation omitted), Z=4, R/sub 1/=0.0295 and ωR/sub 2/=0.0811 for 1141 independent reflections. The compound (Ⅰ) is interconnected to give a three-dimensional network through hydrogen-bonding interactions.