• Journal of the Korean Chemical Society
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• v.29 no.1
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• pp.31-37
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• 1985

N-Acetyl-1-phenylalanyl-1-phenylalanine methyl ester (APhPhMe), N-acetyl-l-phenylalanine methyl ester (APhMe) and N-acetyl-1-phenylalanyl-1-alanine methyl ester (APhAlMe) were used as model compounds to investigate a protein denaturation under various temperatures and pressures. Overall, the solubility of APhPhMe in water increased with increasing pressure and that of APhMe decreased. However, the solubility of APhAlMe was nearly same. The values of volume change of APhPhMe were -0.9, -1.47, -1.09, -1.52 ml/mole at 20, 30, 40 and 50$^{\circ}C$, respectively, and those of APhMe were +6.0, +7.0, +7.5 ml/mole at 20, 30 and 40$^{\circ}C$, respectively. But those of APhAlMe were nearly zero at the measured temperature. The experimental result seems to be explained by the hydrophobic interaction and hydrogen bond of peptide bonds. In the compounds which have only peptide bonds and which have both a pretty large hydrophobic group and a peptide bond in the molecules, the hydrogen bond between peptide bonds is more dominant than the hydrophobic interaction. However, when the number of peptide bond and hydrophobic group increase simultaneously, the hydrophobic interaction seems to be more dominant.

• Journal of the Korean Chemical Society
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• v.32 no.4
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• pp.301-310
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• 1988

Reaction rates for mononuclear heterocyclic rearrangement of N-(5-phenyl-1,2,4-oxadiazol-3-yl)-N'-arylformamidines into 3-acylamino-1-aryl-1,2,4-triazoles were determined spectrophotometrically in dioxane/water (50 : 50, v/v). There are two different reaction paths according to pH. One is pH-independent path, the other is pH-dependent one. In pH-independent path, the result of substituent effect by IYT equation show that N-H bond breaking as well as new N-N bond formation controls the reaction rate. In pH-dependent path, concave-upward Hammett plot was observed. It can be concluded that new N-N bond formation is more advanced than N-H bond breaking in transition state for electron-donating substituents, but N-H bond breaking is more advanced than new N-N bond formation for electron-withdrawing substituents.

• Korean Journal of Crystallography
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• v.5 no.2
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• pp.108-112
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• 1994

C19H20O5, Mr=314.337, triclinic,PI, a=10.291(2)A, b=11.218(3)A, c=3.059(1)A, α=74.54(2)°, β=1148.84(1)°, r=109.84(2)°, V=883.283(2)A3, λ(Mo Kα)=0.71069A, μ=0.47 mm-1, F(000)=324, 296K, Z=2, Dx=1.18Mgm-3. Final R=0.0580 for 1637[F>3σ(F)]unique refledtions. α,β-diphenylsuccinic acid, C16H14O4, are connedted with the solvent actone by hydrogen bond O(4)-H˙˙˙O(5), forming a dimer related by related by centrosymmentry thorough intermolecualr carboxylic hydrogen bond O(1)-H˙˙˙O(2)(-x,-y,-z). The nearest distance 3.288A[O(2)˙˙˙O(2)(-x,-y,-z)] between the dimers shows that the packing of the dimer is govermed by van der Waals'force.

• Journal of the Korean Chemical Society
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• v.39 no.11
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• pp.837-841
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• 1995

Thermodynamic parameters for the hydrogen bonding between thiopropionamide(TPA) and proton donors such as triethylphosphine oxide(TEPO), triphenylphosphine oxide(TPPO), trimethylphosphate(TMP), and tributyl phosphate(TBP) in dilute carbon tetrachloride solution have been measured by near-IR spectroscopy. The νa + amide Ⅱ combination band of TPA has been resolved into two Lorentzian-Gaussian product components which have been identified with monomeric TPA and 1 : 1 hydrogen bonded complex. The equilibrium constants and thermodynamic parameters for the formation of 1 : 1 hydrogen bonded complex have been obtained by the analysis of concentration and temperature dependent spectra. The standard enthalpies for the 1 : 1 hydrogen bonded complex formation of TPA with TEPO, TPPO, TMP, and TBP in CCl4 have been found to be - 21.4, - 16.8, - 12.8, and - 12.9 kJ/mol, respectively. The results are explained by the inductive and steric effects of substituents.

• Journal of the Korean Chemical Society
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• v.64 no.6
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• pp.350-353
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• 2020

The validity of the calculation method based on the local mode in hydrogen-bonded water molecules was investigated by comparing the frequencies of the local and normal modes of OH stretching vibration in water molecules. By calculating a monomer, dimer, and trimer of water molecules using a quantum chemical ab initio theory, we examined how the frequencies of the local and normal modes and the anharmonicity of local modes vary with molecular cluster size. It was shown that, as the number of molecules increases from monomer to trimer, the anharmonicity of OH bonds increases and the difference between local and normal mode frequencies decreases. This confirms that local-mode-based calculations that can easily handle the anharmonicity can be appropriate for the calculation of the OH stretching frequency of water molecules in the condensed phase.

• Restorative Dentistry and Endodontics
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• v.31 no.4
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• pp.290-299
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• 2006

Objectives: The purpose of this study is to evaluate the effect of ethylene glycol analogs on modulus of elasticity and ultimate tensile strength of moist, demineralized dentin matrix. Methods: Dentin disks 0.5 mrn thick were prepared from mid-coronal dentin of extracted. unerupted, human third molars. 'I' beam and hour-glass shaped specimens were prepared from the disks, the ends protected with nail varnish and the central regions completely demineralized in 0.5M EDTA for 5 days. Ultimate tensile stress (UTS) and low strain modulus of elasticity (E) were determined with specimens immersed for 60 min in distilled water $(H_{2}O)$, ethylene glycol $(HO-CH_{2}-CH_{2}-OH)$, 2-methoxyethanol $(H_{3}CO-CH_{2}-CH_{2}-OH)$, and 1,2-dimethoxyethane $(H_{3}CO-CH_{2}-CH_{3}-OCH_{3})$ prior to testing in those same media. Modulus of elasticity was measured on the same specimens in a repeated measures experimental design. The results were analyzed with a one-way ANOVA on ranks, followed by Dunn's test at ${\alpha}\;=\;0.05$. Regression analysis examined the relationship between UTS or E and hoy's solubility parameter for hydrogen bonding $({\delta}_{h})$ of each solvent. Results: The UTS of demineralized dentin in water, ethylene glycol, 2-methoxyethanol, and 1,2-dimethoxyethane was 24 (3), 30 (5), 37 (6), and 45 (6) MPa, ${\times}$ (SD) N = 10. Low strain E for the same media were 16 (13), 23 (14), 52 (24), and 62 (22) MPa. Regression analysis of UTS vs ${\delta}_{h}$ revealed a significant $(p\;<\;0.0001,\;r\;=\;-0.99,\;R^{2}\;=\;0.98)$ inverse, exponential relationship. A similar inverse relationship was obtained between low strain E vs ${\delta}_{h}\;(p\;<\;0.0005,\;r\;=\;-0.93,\;R^{2}\;=\;0.86)$. Significance: The tensile properties of demineralized dentin are dependent upon the hydrogen bonding ability of polar solvents $({\delta}_{h})$. Solvents with low ${\delta}_{h}$ values may permit new interpeptide H-bonding in collagen that increases its tensile properties. Solvents with high ${\delta}_{h}$ values prevent the development of these new interpeptide H-bonds.

• Journal of the Korean Magnetics Society
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• v.11 no.4
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• pp.146-150
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• 2001

The effect of H$_2$ content in Ar sputtering gas on exchange coupling field(H$_{ex}$) for NiFe/FeMn interface was studied. When NiFe layer of Si(100)/Ta(50 $\AA$)/NiFe(60 $\AA$)/FeMn(250 $\AA$)Ta(50 $\AA$) was deposited at 8% H$_2$ in sputtering gas, the maximum exchange coupling field(H$_{ex}$) and minimum coercivity(H$_{c}$) were obtained. When Si(100)/Ta(50 $\AA$)/NiFe(60 $\AA$)/FeMn(250 $\AA$)/NiFe(70 $\AA$)/Ta(50 $\AA$) was deposited at 5% H$_2$ in sputtering gas, the maximum exchange coupling field(H$_{ex}$) of 148 Oe was obtained. The (111) preferred orientation and grain size of underlayer NiFe were increased and the internal stress was reduced by H$_2$ in sputtering gas. And the (111) preferred orientation and grain size of FeMn layer were also increased.d.ased.

• Journal of the Korean Chemical Society
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• v.32 no.2
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• pp.85-93
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• 1988

Solvolyses of t-butylhalides (X = Cl, Br, I) in quasi isodielectric solvent system, MeOH-nitromethane, MeOH-nitrobenzene and MeOH-ethyleneglycol have been studied kinetically. Methanolyses for t-butylhalides in MeOH-NM and MeOH-NB show rate maxima at 40~100 % (v/v) MeOH. The rate maxima observed have been interpreted as a result of cooperative enhancement of polarity-polarizability and hydrogen bonddonor ability of solvents. The influences of polarity-polarizability and hydrogen bonddonor ability on reactivities of substrates have been discussed in terms of Y value changes. The solvolysis rates for t-butylhalides in E.G. are more than 20 fold faster than those in MeOH and this was attributed to the solvent structure of E.G.

• Journal of the Korean Chemical Society
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• v.36 no.2
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• pp.185-190
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• 1992

Near-IR spectra for $ν_{\alpha}$+ Amide Ⅱ combination band of thioamides, and very dilute thioamide-DMSO solution in CCl4 were recorded in the temperature range of $5^{\circ}C$ to $55^{\circ}C$. This combination band was resolved by the computer program into two Lorentzian-Gaussian product function which have been identified with monomeric thioamide and thioamide-DMSO 1 : 1 complex. Equilibrium constants and thermodynamic parameters for the thioamide-DMSO hydrogen bonding were elucidated by the analysis of conce ntration and temperature dependent spectra. The hydrogen bonding strength between thioacetamide (TA) and DMSO in $CCl_4$ is stronger than that between thiopropionamide (TPA) and DMSO in CCl4. The ${\Delta}H^{\circ}$ for the TA-DMSO and TPA-DMSO 1 : 1 complex in CCl4 were -15.3 kJ${\cdot}$$mol^{-1}$ and -14.2 kj${\cdot}$$mol^{-1}$, respectively.

• Journal of the Korean Chemical Society
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• v.41 no.2
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• pp.63-68
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• 1997

Calorimetric measurements have been carried out for the binary mixture between protic, ROH (R=Me, Et) and dipolar aprotic solvents, MeCN,$Me_2CO,\;MeNO_2(or EtNO_2)$in order to investigate the molecular interaction and liquid structure of isodielectric solvents. From the measured partial molar enthalpies of the solutions, excess enthalpies for the mixing process were determined. The hydrogen bond strength between two components decreases in the order of$ROH-ROH>ROH-Me_2CO>ROH-MeCN>ROH-MeNO_2(or EtNO_2)$and the hydrogen bond donor acidity decreases in the order of MeOH>EtOH. From this result, we can conclude that the most important interaction for the formation of binary liquid mixture comes from the specific hydrogen bond.