• Title/Summary/Keyword: hydrogen bonds

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UV-Cut Effects of Cotton Fabrics Treated with UV Absorbents (자외선 흡수제 처리에 의한 면직물의 자외선 차단 효과)

  • 지영숙;김상희
    • Journal of the Korean Society of Clothing and Textiles
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    • v.18 no.5
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    • pp.622-627
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    • 1994
  • The purpose of this study is to investigate the adsorption rate, adsorption quantities and the UV-Cut effects of cotton fabrics treated with several UV absorbents. The result of this study were as follows: cotton fabric treated with 2,2'-dihydroxy-4- methoxy-benzophenone shows more efficient than ones treated with 4-aminobenzoic acid and 2·hydroxy-1, 4-naphthoquinone in UV absorption. This may be due to the absorption of UV light by formation of intra moleculaar hydrogen bond. The formation of hydrogen bonds between hydrogen atoms of two hydroxy groups and one oxygen atom of carboxyl group in 2, 2'-dihydroxy-4-methoxy-benzophenone would be easier than that of the other absorbents. The adsorption isotherms of 4-aminobenzoic acid and 2-hydroxy-1, 4-naphthoquinone were similar to Freundlich type, while that of 2, 2'-Dihydroxy-4-methoxy-benzophenone was Henry type. Cotton fabrics treated with Antifade MC-100 and W Cut I-2 were just alike in UV absorption, but Antifade 8001 was inferior to the others.

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Domain Structure of Liguid Water According to the Theory of Intermolecular Forces

  • Mu Shik Jhon;Ung In Cho
    • Journal of the Korean Chemical Society
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    • v.16 no.3
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    • pp.135-141
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    • 1972
  • In the past years, a number of theories have been published to elucidate the structure of liquid water. common to most of these theories is that water mainly consist of several different kinds of clusters and also hydrogen bonds in water may be bent to some degree. Recentrly, in a series of paper, Jhon and Eyring successfully explained thermodynamic, dielectric, surface and transport properites of water, assuming that it contains small domains of about 46 molecules. According to the theory, the cluster size does not change with temperature, but the cluster concentration changes. In this paper, the potential function for the hydrogen bond, the dispersion energy and dipole-dipole interaction terms. The calculated results show that the domain of nearly 46 molecules is energetically most probable, and its size is independent of temperature. And also, we evaluated the effect of angel variation of the bent hydrogen bond. In addition, the relaxation energy different for ice and water is also explained by this method.

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DFT Study of Bis(Crown-Ether) Analogue of Troger’s Base Complexed with Bisammonium Ions: Hydrogen Bonds

  • Kim, Kwan-Ho;Choe, Jong-In
    • Bulletin of the Korean Chemical Society
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    • v.27 no.11
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    • pp.1737-1740
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    • 2006
  • The optimized structures and complexation energies of bis(18-crown-6-ether) analogue (2) of Trgers base (1) with a series of primary alkylbisammonium ions have been calculated by DFT B3LYP/6-31G(d,p) method. The calculated complexation efficiency (-142.84 kcal/mol) of 2 for butane-1,4-diylbisammonium guest is better than twice of the value (-61.40 kcal/mol) for butylammonium ion. The multiple hydrogen-bond abilities for the complexes are described as the function of the length of the alkyl substituents of the bisammonium guests with normal-alkyl chain [$-(CH_2)_{n-}$, n = 4-8]. The longer bisammonium guest shows the stronger hydrogen-bonding characterizations (the distance and the quasi-linear angle of the N-H…O) to the host 2 than the shorter bisammonium ions. These calculated results agree with the experimental data of the complexation of 2 with bisammonium salts ([$NH_3(CH_2)_nNH_3$] $Cl_2$).

Ferroelectric-Paraelectric Phase Transition of CsH2PO4 studied by Static NMR and MAS NMR

  • Lim, Ae Ran;Lee, Kwang-Sei
    • Journal of the Korean Magnetic Resonance Society
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    • v.19 no.1
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    • pp.29-35
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    • 2015
  • The microscopic dynamics of $CsH_2PO_4$, with two distinct hydrogen bond lengths, are studied by static nuclear magnetic resonance (NMR) and magic angle spinning (MAS) NMR. The proton dynamics of the two crystallographically inequivalent hydrogen sites were discussed in terms of the $^1H$ NMR and $^1H$ MAS NMR spectra. Although the hydrogen bonds have two inequivalent sites, H(1) and H(2), distinct proton dynamics for the two sites were not found. Further, the $^{133}Cs$ spectrum is more or less continuous near $T_{C1}$ (=153 K). Finally, the phase transition mechanism of $T_{C1}$ in $CsH_2PO_4$ is related to the ordering of protons.

Electrical Characteristics of Ultra-thin $SiO_2$ Films experienced Hydrogen or Deuterium High-pressure Annealing (고압의 수소 및 중수소 분위기에서 열처리된 실리콘 산화막의 전기적 특성 관찰)

  • Lee, Jae-Sung;Baek, Jong-Mu;Do, Seung-Woo;Jang, Cheol-Yeong;Lee, Yong-Hyun
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2005.07a
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    • pp.29-30
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    • 2005
  • Experimental results are presented for the degradation of 3 nm-thick gate oxide ($SiO_2$) under both Negative-bias Temperature Instability(NBTI) and Hot-carrier-induced(HCI) stresses using P and NMOSFETs that are annealed with hydrogen or deuterium gas at high-pressure (1~5 atm.). Statistical parameter variations depend on the stress conditions. We suggest that deuterium bonds in $SiO_2$ film is effective in suppressing the generation of traps related to the energetic hot electrons.

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An Analysis of Light-Induced Degradation of PECVD a-Si Films Using $SiF_4$ ($SiF_4$를 이용하여 증착한 PECVD 박막의 빛에 의한 열화도 특성 분석)

  • Jang, K.H.;Choi, H.S.;Han, M.K.
    • Proceedings of the KIEE Conference
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    • 1995.07c
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    • pp.1019-1021
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    • 1995
  • Light induced degradation of hydrogenated amorphous silicon(a-Si:H) are related to the number of weak dangling bonds which are thought to be responsible for the Staebler-Wronski effects, and caused the many photoelectric problems in applications of thin film transistors and solar cell, etc. In this paper, we deposited fluorinated amorphous silicon films(a-Si:H;F) with $SiH_4$ and $SiF_4$ gas mixture and investigated the effects of fluorine atoms on the evoluations of the crystallinity and improvements of light instability. We have found that micro-crystallinity produced in a-SI:H;F films and marked maximum value of 22% at the flow rate of $SiH_4:SiF_4$=2:10 sccm by UV spectrophotometer measurement, while n-Si:H film deposited with only $SiH_4$ gas showed no crystallinity. Light-induced degradation property of a-Si:H;F films is also improved which is mainly due to the etching effects of fluorine atoms on the weak Si-Si bonds and unstable hydrogen bonds. It is considered that involving fluorine atoms in a-Si:H films may contribute to the suppression of light-induced degradation and evolution of micro-crystallinity.

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Synthesis, Structures and Photoluminescent Properties of Two Novel Zinc(II) Compounds Constructed from 5-Sulfoisophthalic Acid

  • Zhu, Yu-Lan;Tang, Xue-Ling;Ma, Kui-Rong;Chen, Hao;Ma, Feng;Zhao, Lian-Hua
    • Bulletin of the Korean Chemical Society
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    • v.31 no.7
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    • pp.1881-1886
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    • 2010
  • Hydrothermal reaction of zinc(II) salts with 5-sulfoisophthalic acid monosodium salt ($NaO_3SC_6H_3$-1,3-(COOH)$_2$, $NaH_2$-SIP) and 1,10-phenanthroline (phen) led to two new compounds, [Zn(phen)$_3$$\cdot2H_2SIP\cdot4H_2O$ (1) and [Zn(phen)$_2(H_2O)_2]\cdot2H_2SIP\cdot2H_2O$ (2). They were characterized by element analysis, IR spectroscopy, thermalgravimetric analysis (TGA), X-ray powder diffraction (XRD), and single-crystal X-ray diffraction. Both compounds 1-2 represent the first example of Zn/phen/SIP system. The Zn (II) ion in 1 is six-coordinated by six nitrogen atoms from three phen molecules, and the $H_2SIP^-$ ligands engage in the formation of hydrogen bond. The Zn(II) ion in 2 is coordinated by four nitrogen atoms from two phen molecules and two oxygen atoms from two water molecules. Moreover, both 1 and 2 are assembled into 3D supramolecular architectures by hydrogen bonds (O-H$\ldots$O) and $\pi-\pi$ interactions. Solvent water molecules occupying voids of the compounds serve as receptors or donors of the extensive O-H$\ldots$O hydrogen bonds.

Structure and Heme-Independent Peroxidase Activity of a Fully-Coordinated Mononuclear Mn(II) Complex with a Schiff-Base Tripodal Ligand Containing Three Imidazole Groups

  • Sarkar, Shuranjan;Moon, Do-Hyun;Lah, Myoung-Soo;Lee, Hong-In
    • Bulletin of the Korean Chemical Society
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    • v.31 no.11
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    • pp.3173-3179
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    • 2010
  • New complex $[Mn(II)H_{1.5}L]_2[Mn(II)H_3L]_2(ClO_4)_5{\cdot}3H_2O$ (1), where $H_3L$ is tris {2-(4-imidazolyl)methyliminoethyl} amine (imtren), has been prepared by reacting manganese(II) perchlorate hexahydrate with the imtren ligand in methanol. X-ray crystallographic study revealed that the imtren ligand hexadentately binds to Mn(II) ion through the three Schiff-base imine N atoms and three imidazole N atoms with a distorted octahedral geometry, and the apical tertiary amine N atom of the ligand pseudo-coordinates to Mn(II), forming overall a pseudo-seven coordination environment. The hydrogen-bonds between imidazole and imidazolate of $[Mn(II)H_{1.5}L]^{0.5+}$ complex ions are extended to build a 2D puckered network with trigonal voids. $[Mn(II)H_3L]^{2+}$ complex ions constitutes another extended 2D puckered layer without hydrogen bonds. Two layers are wedged each other to constitute overall stack of the crystal. Peroxidase activity of complex 1 was examined by observing the oxidation of 2,2'-azinobis(3-ethylbenzothiazoline)-6-sulfonic acid (ABTS) with hydrogen peroxide in the presence of complex 1. Generation of $ABTS^{+{\cdot}}$ was observed by UV-vis and EPR spectroscopies, indicating that the complex 1, a fully-coordinated mononuclear Mn(II) complex with nitrogen-only ligand, has a heme-independent peroxidase activity.

The Crystal and Molecular Structure of Ammonium p-Methylbenzenesulfonate (암모늄 파라-메칠벤젠슬폰네이트의 결정 및 분자구조)

  • Choong Tai Ahn;Gene B. Carpenter
    • Journal of the Korean Chemical Society
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    • v.32 no.4
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    • pp.297-300
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    • 1988
  • Ammonium p-methylbenzenesulfonate, $C_7H_11NO_3S$, Mr = 189.23, orthorhombic, space group $Pna2-1$, a = 20.406(4), b = 6.271(1), c = 7.067(2)${\AA}$, V = 904.19 ${\AA}^3$, Z = 4, $D_x$ = 1.39, $D_m =1.38g{\cdot}cm^{-3}$, ${\lambda}(M_o K_{\alpha})$ = 0. 71069 ${\AA}$, ${\mu}=3.1 cm^{-1}$, T = 298K, F(000) = 400, final R = 0.057 for 994 unique observed reflections with I > $16{\sigma}(I)$. The methylbenzene portion including the sulfur atom is nearly planar. Between the $SO_3$ groups and the ammonium ion, there are three unique hydrogen bonds; two of which make the anions linked along the c-axis and the remaining one along the b-axis. These hydrogen bonds make two-dimensionally hydrogen-bonded molecular layers. Among these hydrophilic layers, the methylbenzene moieties cluster together to form hydrophobic layers.

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Upregulation of Dendritic Arborization by N-acetyl-D-Glucosamine Kinase Is Not Dependent on Its Kinase Activity

  • Lee, HyunSook;Dutta, Samikshan;Moon, Il Soo
    • Molecules and Cells
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    • v.37 no.4
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    • pp.322-329
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    • 2014
  • N-acetylglucosamine kinase (GlcNAc kinase or NAGK; EC 2.7.1.59) is highly expressed and plays a critical role in the development of dendrites in brain neurons. In this study, the authors conducted structure-function analysis to verify the previously proposed 3D model structure of GlcNAc/ATP-bound NAGK. Three point NAGK mutants with different substrate binding capacities and reaction velocities were produced. Wild-type (WT) NAGK showed strong substrate preference for GlcNAc. Conversion of Cys143, which does not make direct hydrogen bonds with GlcNAc, to Ser (i.e., C143S) had the least affect on the enzymatic activity of NAGK. Conversion of Asn36, which plays a role in domain closure by making a hydrogen bond with GlcNAc, to Ala (i.e., N36A) mildly reduced NAGK enzyme activity. Conversion of Asp107, which makes hydrogen bonds with GlcNAc and would act as a proton acceptor during nucleophilic attack on the ${\gamma}$-phosphate of ATP, to Ala (i.e., D107A), caused a total loss in enzyme activity. The overexpression of EGFP-tagged WT or any of the mutant NAGKs in rat hippocampal neurons (DIV 5-9) increased dendritic architectural complexity. Finally, the overexpression of the small, but not of the large, domain of NAGK resulted in dendrite degeneration. Our data show the effect of structure on the functional aspects of NAGK, and in particular, that the small domain of NAGK, and not its NAGK kinase activity, plays a critical role in the upregulation of dendritogenesis.