• Bulletin of the Korean Chemical Society
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• v.24 no.2
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• pp.249-252
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• 2003

• Bulletin of the Korean Chemical Society
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• v.24 no.7
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• pp.893-894
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• 2003

• Journal of the Korean Chemical Society
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• v.39 no.7
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• pp.493-500
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• 1995

The geometry optimization of oxazole, relevant to the binding of lexitropsin that contains this ring to the base pair (G-C sequence) of minor groove of DNA, is performed with the aid of MM+ and ab initio (Hartree-Fock) calculations. The proton affinity and electronic structure are calculated at the 6-31G and $6-31G^{\ast}$ level for the optimized geometry. The proton affinities are also studied for various substituted oxazoles with the electron-donating and -withdrawing groups to estimate the substituent effect on the proton affinities of oxazoles. It is shown that the electron-donating substituents increase the proton affinity of oxazole, while the electron-withdrawing substituents decrease it. This result can be explained with atomic charge and electron density at oxygen of substituted oxazoles.

• Archives of Pharmacal Research
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• v.17 no.2
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• pp.66-70
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• 1994

The condensation reactions of hippuric acid and tis furyl derivative with salicyladehydes or that of salicylhippuric acid analogues with furadehyde led to the comesponding oxazoles. These wre subsequently treated with hydrazine hydrate, hydroxylamine or subjected to alkaline hydrolysis to yield new o-hydroxyaryl or salicyl containing derivatives. 5-Substituted salicylanilides were treated with piperidine and formaldehyde in a Mannich type reaction affording the corresponding 3-(N-piperidinomethyl) salicylanilides. It was noticed that the presence of an electron donating group in in position 3 in the salicylanilide moiety decrease the mollusicidal activity.

• Journal of the Korean Chemical Society
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• v.51 no.1
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• pp.7-13
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• 2007

The oxazole plays an important role in the binding of lexitropsin to the guanine-cytosine base pair from minor groove of DNA. The geometry optimization is performed with DFT calculations for the two possible conformations of the protonated oxazole. The proton affinities are calculated at B3LYP level of theory with 6-31G* basis set for the optimized geometry. It is found that the proton affinites of the conformations in which the oxazole nitrogen is the protonation center are greater than that of the conformations in which the oxazole oxygen is the protonation center. This result is in good agreement with molecular electrostatic potential (MEP) contour map. The proton affinities are also studied for various substituted oxazoles with the electron-donating and -withdrawing groups to estimate substitutent effect on the proton affinity at the hydrogen bonding site of the oxazoles. it is shown that the electron-donating substituents increase the proton affinity of oxazole, while the electron-withdrawing substituents decrease it.

• Korean Journal of Food Science and Technology
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• v.30 no.2
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• pp.260-265
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• 1998

In this study, volatile flavor compounds in sesame oils were analyzed by using pure-and-trap method and a gas chromatography. 2-ethoxy-3-ethylpyrazine was used as an internal standard and retention index (Kovat's number) for the volatiles were determined through the use of a n-paraffin $(C_5-C_{25})$ standards. A total of 33 volatile compounds including 14 pyrazines, 7 thiazoles, 4 pyridines, 2 oxazoles and 6 others were identified in the sesame oils. By comparing the total yields of volatile flavor compounds, the pyrazines are the most abundant compounds all of the oil samples and considered as good contributor to characteristic flavor of sesame oil. The oil from the seeds roasted in the electric pan at $200^{\circ}C$ and $230^{\circ}C$ for 10 minutes generated 277.06 ppm, 264.81 ppm in pyrazine and 15.16 ppm, 13.19 ppm in thiazole, respectively. The sensory evaluation of oil samples was also investigated. The sesame oil obtained from the sesame seeds roasted at $200^{\circ}C$ for 10 minutes with electric pan showed good flavor scores and quality among the all of samples.