• 한국자기공명학회논문지
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• 제8권2호
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• pp.127-138
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• 2004

We obtained the chemical shifts of amide protons (NHs) in helical peptides at various temperatures and trifluoroethanol (TFE) concentrations using 2-dimensional NMR spectroscopy. These NH chemical shifts and their temperature dependence exhibited characteristic periodicity of 3-4 residues per cycle along the helix, where downfield shifted NHs showed larger temperature dependence. In an attempt to understand these observations, we focused on hydrogen bonding changes in the peptides and examined the validity of two possible explanations: (1) changes in intermolecular hydrogen bonding caused by differential solvation of backbone carbonyl groups by TFE, and (2) changes in intramolecular hydrogen bonding due to disproportionate variations in the hydrogen bonding within the peptide helix. Interestingly, the slowly exchanging NHs, which were on the hydrophobic side of the helix, showed consistently larger temperature dependences. This could not be explained by the differential solvation assumption, because the slowly exchanging NHs would become more labile if the preceding carbonyl groups were preferentially solvated by TFE. We suggest that the disproportionate changes in intramolecular hydrogen bonding better explain both the temperature dependence and the exchange behavior observed in this study.

• 한국섬유공학회:학술대회논문집
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• 한국섬유공학회 2003년도 가을 학술발표회 논문집
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• pp.181-182
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• 2003

Poly(vinyl alcohol) (PVA) is a semicrystalline polymer whose hydroxyl groups produce inter-and intramolecular hydrogen bonding. The extent of hydrogen bonding is greatly affected by stereoregularity of hydroxyl groups, so-called tacticity, of PVA[1-3]. Hydrogen bonding has a profound effect on the rheological and mechanical properties of the polymer, which is largely determined by the density and spatial arrangement of hydroxyl groups. (omitted)

• Bulletin of the Korean Chemical Society
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• 제32권6호
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• pp.1879-1883
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• 2011

The electronic structure and bonding in $Ti_2Pd$ and $Pd_2Ti$ alloys with and without hydrogen as an interstitial atom were studied by performing extended Huckel tight-binding band calculations. The hydrogen absorption near an octahedral site is found to be a favorable process in $Ti_2Pd$ rather than in $Pd_2Ti$. In metal hydrides, the metal-hydrogen bonding contribution is crucial to the stability of the system. The stronger interaction of hydrogen with Ti atoms in $Ti_2PdH_2$ than with Pd atoms in $Pd_2TiH_2$ is analyzed by perturbation theory.

• Carbon letters
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• 제15권4호
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• pp.282-289
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• 2014

Blends of poly(vinyl alcohol) (PVA), polyethyleneimine (PEI), and graphene oxide (GO) were prepared by solution casting method. Calorimetric thermal properties of the blends were investigated. The $T_gs$ of PVA/PEI blends were higher than the $T_gs$ of either of the component polymers at low concentrations of PEI. These abnormal increases of $T_gs$ may be due to the negative entropy of mixing which is associated with strong hydrogen bonding between PVA and PEI. The degree of depression of $T^0_ms$ was not reduced by the negative entropy of mixing, since strong hydrogen bonding also causes an increase in the magnitude of negative ${\chi}$ between PVA and PEI. The $T_g$ of PVA was increased significantly by adding 0.7 wt.% GO into PVA. The magnitude of negative ${\chi}$ was increased by adding GO into the blends of PVA and PEI.

• Bulletin of the Korean Chemical Society
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• 제23권8호
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• pp.1157-1159
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• 2002

• Bulletin of the Korean Chemical Society
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• 제24권5호
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• pp.545-546
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• 2003

• Bulletin of the Korean Chemical Society
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• 제34권9호
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• pp.2711-2719
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• 2013

Hydrogen bonding interaction between alcohols and water molecules is an important characteristic in the aqueous solutions of alcohols. In this paper, a series of molecular dynamics simulations have been performed to investigate the aqueous solutions of low molecular weight alcohols (methanol, ethylene glycol and glycerol) at the concentrations covering a broad range from 1 to 90 mol %. The work focuses on studying the effect of the alcohols molecules on the hydrogen bonding of water molecules in binary mixtures. By analyzing the hydrogen bonding ability of the hydroxyl (-OH) groups for the three alcohols, it is found that the hydroxyl group of methanol prefers to form more hydrogen bonds than that of ethylene glycol and glycerol due to the intra-and intermolecular effects. It is also shown that concentration has significant effect on the ability of alcohol molecule to hydrogen bond water molecules. Understanding the hydrogen bonding characteristics of the aqueous solutions is helpful to reveal the cryoprotective mechanisms of methanol, ethylene glycol and glycerol in aqueous solutions.

• Bulletin of the Korean Chemical Society
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• 제11권5호
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• pp.367-371
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• 1990

The near-IR spectra of thioacetamide were recorded for the investigation of hydrogen bonding between thioacetamide (TA) and N,N-dimethylalkylamides (DMF, DMA, DMP) in chloroform over the range of 5$^{\circ}C$ to 55$^{\circ}C$. The ${\nu}_{\alpha}$ + amide II combination band has been resolved into contributions from monomeric TA, 1:1 hydrogen bonded complex and 1:2 complex by the parameterized matrix modeling method. The association constants ($K_c$) of the complex have been obtained at various temperatures and used to determine the thermodynamic parameters for the hydrogen bonding by the usual Van't Hoff method. It was found that N,N-dimethylalkylamide forms less stable hydrogen bonded complex with TA in chloroform than in carbon tetrachloride.

• Journal of the Korean Wood Science and Technology
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• 제16권3호
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• pp.5-16
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• 1988

This experiment was executed to investigate the effect of activation of veneer surface by oxidizing agents, hydrogen peroxide and nitric acid, on bonding characteristics of Malas(Homalium foetidum Benth) plywood, in which the effects of these oxidizing agents amount, pretreatment time, and pressing time and temperatue on shear strength of the plywood were examined and discussed. In this research the activation of veneer surface by oxidants was effective in raising shear strength but the difference in shear strength was not observed between hydrogen peroxide and nitric acid treatment. Hydrogen peroxide treatment, however, seemed to be more profitable to industrial application because of its lower concentration and easier handling than nitric acid. The bonding method by lignin-phenol adhesive through surface activation revealed inferior shear strength to phenol- and urea-formaldehyde adhesive but superior water resistance to urea-formaldehyde adhesive and this bonding method, in addition, have the advantage of lower cost compared with phenol-formaldehyde adhesive, Therefore, this bonding method by lignin-phenol adhesive through surface activation seemed to economical in manufacturing of water-resistant wood panel materials in future.

• EDISON SW 활용 경진대회 논문집
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• 제5회(2016년)
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• pp.140-146
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• 2016

Using density functional Theory, we studied local structure of liquid ethylene glycol and 1,3-propanediol. For both liquid, making intramolecular hydrogen bonding is not preferred, because relative energy between with and without intramolecular hydrogen bond is only -1.95kcal/mol, which is far less than intermolecular hydrogen bonding energy, about -7.5kcal/mol. Also, hydrogen bond induce polarization of hydroxyl group and make $2^{nd}$ hydrogen bond more stronger. This effect was small in intramolecular hydrogen bond of ethylene glycol. When considering energy per hydrogen bond, making only one intermolecular hydrogen bond for ethylene glycol pair is energetically favored, while two intermolecular hydrogen bond can be formed in 1,3-propanediol pair.