• Title/Summary/Keyword: hydrogen bonds

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A study on pre-bonding mechanism of Si wafer at HF pre-treatment (HF 전처리시 실리콘 기판의 초기접합 메카니즘에 관한 연구)

  • Kang, Kyung-Doo;Park, Chin-Sung;Lee, Chae-Bong;Ju, Byung-Kwon;Chung, Gwiy-Sang
    • Proceedings of the KIEE Conference
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    • 1999.07g
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    • pp.3313-3315
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    • 1999
  • Si direct bonding(SDB) technology is very attractive for both Si-on-insulator(SOI) electric devices and MEMS applications because of its stress free structure and stability. This paper presents on pre-bonding according to HF pre-treatment conditions in Si wafer direct bonding. The characteristics of bonded sample were measured under different bonding conditions of HF concentration, and applied pressure. The bonding strength was evaluated by tensile strength method. The bonded interface and the void were analyzed by using SEM and IR camera respectively. A bond characteristic on the interface was analyzed by using IT- IR. Si-F bonds on Si surface after HF pre-treatment are replaced by Si-OH during a DI water rinse. Consequently, hydrophobic wafer was bonded by hydrogen bonding of Si $OH{\cdots}(HOH{\cdots}HOH{\cdots}HOH){\cdots}OH-Si$. The bond strength depends on the HF pre-treatment condition before pre- bonding (Min:$2.4kgf/crn^2{\sim}Max:14.9kgf/crn^2$)

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Effect of Temperature on Persistence of Recombinant Plasmid pCU103 in Different Waters

  • Kwak, Myong-Ja;Kim, Chi-Kyung;Kim, Young-Chang;Lim, Jai-Yun;Kim, Young-Soo;Lee, Ki-Sung;Min, Kyung-Hee
    • Journal of Microbiology
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    • v.33 no.3
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    • pp.178-183
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    • 1995
  • The recombinant plasmid of pCU103 constructed by cloning pcbCD genes in pBluescript SK(+) was studied for the effect of temperature on its persistence in different waters by the methods of electrophoresis, Southern hybridization, quantification, and transformation. The plasmid was very rapidly degraded out in non-sterile FW water without regards to water temperature, probably due to the effect of biochemical factor such as nucleases. The pCU103 was most persistent at 4$^{\circ}C$ in any water environments, moderately persistant at 15$^{\circ}C$ but least stable at 3$0^{\circ}C$ such results could be explained by the facts that hydrogen bonds in double-stranded plasmid DNAs become unstable and that nucleases are activated by increasing temperature. The intact structure of pCU1-3 was generally observed by gel electrophoresis under the conditions which the plasmid should be 2.0 ng/$\mu\textrm{l}$ or higher in concentration and that about 10$^2$ CFU/ml or more transformant cells should be recovered.

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Analysis of Intermolecular Interaction in Thermotropic Aromatic Polyurethanes with Flexible Spacers (Spacer를 가지고 방향족 polyurethane의 분자간 상호 작용에 의한 액정성의 발견)

  • Lee, Jong Back;Song, Jin Cherl
    • Textile Coloration and Finishing
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    • v.7 no.4
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    • pp.8-15
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    • 1995
  • A series of thermotropic Polyurethanes mesogenic unit were synthesized by polyaddition of a para-type diisocyanate such as 2,5-tolylene diisocyanate(2,5-TDI) with 4-4'-bis($\omega$-hydroxyalkoxy) biphenls(BPm: $HOCmH_{2m}OC_{6}H_{4}OC_{m}H_{2m}OH$ : m is the carbon number of the hydroxyalkoxy group) in DMF. Intrinsic viscosities of the polymers were in the range of 0.41~0.99dL/g DSC thermograms for these polymers exhibited two endothermic peaks corresponding to phase transitions of melting and isotropization. For examplem polyurethane 2,5-TDI/BPll with [η]=0.99 prepared from 2.5-TDI and 4,4'-bis[11-hydroxyundecaoxy biphenyl(BP11) a liquid crystalline phase from 156 to 173$^{\circ}C$. The thermotropic properites of liquid crystalline polyurethanes have been investigated by wide-angle X-ray scatter(WAXS), infrared (IR) spectroscopy, and differential scanning calorimetry (DSC). The mesomorphic behavior of the polyurethanes was concluded to be greatly dependent on the intermolecular hydrogen bonds through the urethane.

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Theoretical Studies on the Gas-Phase Pyrolysis of Esters The effect of ${\alpha}$- and ${\beta}$-methylation of Ethyl Formates

  • Ikchoon Lee;Ok Ja Cha;Bon-Su Lee
    • Bulletin of the Korean Chemical Society
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    • v.11 no.1
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    • pp.49-54
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    • 1990
  • The gas-phase thermolysis reactions of ${\alpha}$- and ${\beta}$-methylated ethyl formates, Y = $CH-X-CHR_1CH_2R_2$ where X = Y = O or S and $R_1\;=\;R_2$ = H or $CH_3$, are investigated theoretically using the AM1 method. The experimental reactivity order is reproduced correctly by AM1 in all cases. The thermolysis proceeds through a six-membered cyclic transition state conforming to a retro-ene reaction, which can be conveniently interpreted using the frontier orbital theory of three-species interactions. The methyl group substituted at $C_{\alpha}\;or\;C_{\beta}$ is shown to elevate the ${\pi}$-HOMO of the donor fragment (Y = C) and depress the ${\sigma}^{\ast}$-LUMO of the acceptor fragment ($C_{\beta}$-H), increasing the nucleophilicity of Y toward ${\beta}$-hydrogen which in turn increases the reactivity. The two bond breaking processes of the $C_{\alpha}$-X and $C_{\beta}$-H bonds are concerted but not synchronous so that the reaction takes place in two stages as Taylor suggested. The initial cleavage of $C_{\alpha}$-X is of little importance but the subsequent scission of $C_{\beta}$-H occurs in a rate determining stage.

Orbital Interactions in$ BeC_{2}H_{2}\;and\;LiC_{2}H_{2}$ Complexes

  • Ikchoon Lee;Jae Young Choi
    • Bulletin of the Korean Chemical Society
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    • v.14 no.1
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    • pp.101-107
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    • 1993
  • Ab initio calculations are carried out at the 6-311G$^{**}$ level for the $C_{2v}$ interactions of Be and Li atoms with acetylene molecule. The main contribution to the deep minima on the $^3B_2\;BeC_2H_2\;and\;^2B_2 LiC_2H_2$ potential energy curves is the b_2\;(2p(3b_2)-l{\pi}_g^*(4b_2))$ interaction, the $a_1\;(2s(6a_1)-I{\pi}_u(5a_1))$ interaction playing a relatively minor role. The exo deflection of the C-H bonds is basically favored, as in the $b_2$ interaction, due to steric crowding between the metal and H atoms, but the strong in-phase orbital interaction, or mixing, of the $a_1$ symmetry hydrogen orbital with the $5a'_1,\;6a'_1,\;and\;7a'_1$ orbitals can cause a small endo deflection in the repulsive complexes. The Be complex is more stable than the Li complex due to the double occupancy of the 2s orbital in Be. The stability and structure of the $MC_2H_2$ complexes are in general determined by the occupancy of the singly occupied frontier orbitals.

Conformation of L-Ascorbic Acid in solution. 1. Neutral L-Ascorbic Acid

  • Shin, Young A.;Kang, Young-Kee
    • Bulletin of the Korean Chemical Society
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    • v.12 no.1
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    • pp.61-67
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    • 1991
  • Conformational free energy calculations using an empirical potential function and the hydration shell model (a program CONBIO) were carried out on the neutral L-ascorbic acid (AA) in the unhydrated and hydrated states. The conformational energy was minimized from starting conformations which included possible conformations of six torsion angles in the molecule. The conformational entropy of each low energy conformation in both states was computed using a harmonic approximation. From the analysis of conformational free energies for AA in both states, intramolecular hydrogen bonds (HBs) are proved to be an essential factor in stabilizing the overall conformations, and cause the conformations in both states to be quite different from those in crystal. In the case of hydrated AA, there is a competition between HBs and hydration, and the hydration around the two hydroxyl groups attached to the acyclic side chain forces the molecule to form less stable HBs. The hydration affects strongly the conformational energy surfaces of AA. Several feasible conformations obtained in this work indicate that there exists an ensemble of several conformations in aqueous solution. The calculated probable conformations for the rotation about the C5-C6 bond of the acyclic side chain are trans and gauche +, which are in good agreement with results of NMR experiment.

Conformation of L-Ascorbic Acid in Solution 2. L-Ascorbic Acid Anion

  • Mi Suk Kim;Sung Hee Lee;Uoo Tae Chung;Young Kee Kang
    • Bulletin of the Korean Chemical Society
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    • v.12 no.2
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    • pp.143-148
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    • 1991
  • In the unhydrated and hydrated states, conformational free energies of L-ascorbic acid anion (AAA) were computed with an empirical potential function and the hydration shell model (a program CONBIO). The conformational energy was minimized from possible starting conformations expressed with five torsion angles of the molecule. The conformational entropy of each low energy conformation in both states was computed using a harmonic approximation. As found in L-ascorbic acid (AA), intramolecular hydrogen bonds (HBs) are proved to be of significant importance in stabilizing the overall conformations of AAA in both states, and give the folded conformations, which are quite different from those in crystal. There are competitions between HBs and hydration around O3 atom of the lactone ring and hydroxyls of the acyclic side chain. Especially, the whole conformation of AAA is strongly dependent on the water-accessibility of O3 atom. Though there is a significant effect of the hydration on conformational surface, the lowest energy conformation of the unhydrated AAA is conserved. The different patterns of HBs and hydration result in the conformations of AAA in both states being different from those of AA. It can be drawn by several feasible conformations obtained in the hydrated state that there exists an ensemble of several conformations in aqueous solution.

Structure Identification of 1,2-Disubstituted Chiral Calix[4]arene : X-Ray and NMR Analysis of 25-(3,5-Dinitrobenzoyloxy)-26-methoxy-27,28-dihydroxycalix[4]arene

  • 박영자;신정미;남계춘;김종민;국승근
    • Bulletin of the Korean Chemical Society
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    • v.17 no.7
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    • pp.643-647
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    • 1996
  • 1,2-Disubstituted chiral calix[4]arene "25-(3,5-dinitrobenzoyloxy)-26-methoxy-27,28-dihydroxycalix[4]arene" was synthesized by the reaction of 25-(3,5-dinitrobenzoyloxy)-calix[4]arene with methyl iodide in the presence of K2CO3. Methylation was occurred at the 26-position of calix[4]arene. The partial cone conformation and 1,2-substitution were characterized based on the 1H NMR, 13C NMR and X-ray diffraction analysis. The crystal structure has been determined by X-ray diffraction method. The crystals are orthorhombic, Pbca, a=10.652(1), b=17.687(1), c=32.247(3) Å, Z=8, V=6075.4(9) Å3, Dc=1.38gcm-3. The intensity data were collected on an Enraf-Nonius CAD-4 Diffractometer with a graphite monochromated Cu-Kα radiation. The structure was solved by direct method and refined by full-matrix least-squares methods to a final R value of 0.050 for 2368 observed reflections. The molecule is in the partial cone conformation. It has two strong intramolecular hydrogen bonds of O(1D)-H…O(1C)-H…O(1B).

Nanomechanical behaviors and properties of amyloid fibrils

  • Choi, Bumjoon;Lee, Sang Woo;Eom, Kilho
    • Multiscale and Multiphysics Mechanics
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    • v.1 no.1
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    • pp.53-64
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    • 2016
  • Amyloid fibrils have recently been considered as an interesting material, since they exhibit the excellent mechanical properties such as elastic modulus in the order of 10 GPa, which is larger than that of other protein materials. Despite recent findings of these excellent mechanical properties for amyloid fibrils, it has not been fully understood how these excellent mechanical properties are achieved. In this work, we have studied the nanomechanical deformation behaviors and properties of amyloid fibrils such as their elastic modulus as well as fracture strength, by using atomistic simulations, particularly steered molecular dynamics simulations. Our simulation results suggest the important role of the length of amyloid fibrils in their mechanical properties such that the fracture force of amyloid fibril is increased when the fibril length decreases. This length scale effect is attributed to the rupture mechanisms of hydrogen bonds that sustain the fibril structure. Moreover, we have investigated the effect of boundary condition on the nanomechanical deformation mechanisms of amyloid fibrils. It is found that the fracture force is critically affected by boundary condition. Our study highlights the crucial role of both fibril length and boundary condition in the nanomechanical properties of amyloid fibrils.

Simple and Efficient Method for the Enantiomeric discrimination of Racemates (라세미 화합물의 거울상 이성질체 구분을 위한 간단하고 효과적인 방법)

  • Ho Sik Rho
    • Journal of the Society of Cosmetic Scientists of Korea
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    • v.49 no.2
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    • pp.141-146
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    • 2023
  • The efficient use of a chiral shift agent (3) containing bifunctional group (thiourea and tertiary amine) for the determination of the enantiomeric purity of racemic mixture (Hemiesters) has been studied. The diastereomeric complexes derived from a chiral shift agent (3) with various hemiesters gave rise to well separate signals of the methoxy protons of hemiesters. Good splitting signals for enantiomers of hemiesters in 1H NMR are originated form the hydrogen bonds between carbonyl groups of hemiester and bifunctional groups of a chiral shift agent (3) such as thiourea moiety and tertiary amine. This study provides a quick and simple way to determine the chiral purity of hemiester using chiral transfer agent (3).