• Archives of Pharmacal Research
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• v.4 no.1
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• pp.1-8
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• 1981

Our need for a convenient method of analytical estimation of the precise optical purity of d-2 aminobutanol (d-2AB) and d-ethambutol has prompted us to examine in detail the preparation and G. L. C. separation of the N-TFA-L-prolyl derivatives of their optical isomers (d-and l-2AB, d-, meso-and l-ethambutol). Silicon OV-1 columns were used for the G. L. C. separation.

• Bulletin of the Korean Chemical Society
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• v.25 no.4
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• pp.452-459
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• 2004

The geometrical structures of various isomers of hexafluoro-1,3-butadiene (HFBD), tetrafluoro-1,3-butadiene (TFBD), and difluoro-1,3-butadiene (DFBD) have been studied theoretically. Natural steric and natural resonance theory (NRT) analyses indicate that the lower energy of skew s-cis conformer of hexafluoro-1,3-butadiene than that of the s-trans conformer is originated from the strong steric repulsions between fluorine atoms particularly in the s-trans conformer. The resonance structures generated by NRT also show that the lone electron pairs of fluorine atoms effectively extend the conjugation, and the large differences in energy among the structural isomers of tetrafluoro-1,3-butadiene and difluoro-1,3-butadiene are in part attributed to the differences in the delocalization energies, in addition to the steric repulsion between fluorine atoms. Other interatomic interactions, such as hydrogen bonding, also play important roles in determination of the structures of isomers of tetrafluoro-1,3-butadiene and difluoro-1,3-butadiene.

• Journal of Photoscience
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• v.4 no.1
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• pp.7-10
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• 1997

The structures of 8-membered azalactone isomers produced from photocyclization of 2-(N,N-dibenzylamino)ethyl benzoylacetate were determined by the X-ray structure analysis to clarify the stereochemical behavior of a 1,8-biradical. The remarkable stereoselectivity in cyclization of the 1,8-biradical to form cis- and trans-isomers of the azalactone was not observed. The ring conformations were boat-chair like and dihedral angles between C$_5$- and C$_6$- phenyl groups were ca 45$\circ$ in the both isomers. The 1,8-biradicals in the transition state for the cyclization would have nearly same boat-chair like conformation and twisted configuration with the dihedral angle of ca 45$\circ$ as the corresponding isomer, and this is responsible for luck of stereoselectivity in long-chain biradical cyclization.

• Bulletin of the Korean Chemical Society
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• v.29 no.3
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• pp.541-545
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• 2008

Stable molecular isomers were calculated for the azobenzene crown ether p-tert-butylcalix[4]arene (1) in the host and their alkali-metal-ion complexes. The structures of two distinct isomers (cis and trans) have been optimized using DFT B3LYP/6-31G(d,p) method. Trans isomer of 1 is found to be 11.69 kcal/mol more stable than cis analogue. For two different kinds of complexation mode, the alkali-metal-cation in the crown-ether moiety (exo) has much better complexation efficiency than in the benzene-rings (endo) pocket for both isomers of 1. Sodium ion has much better complexation efficiency than potassium ion in all kinds of complexation mode with host 1. The Na+ complexation efficiency of the trans-complex (1) in the exo-binding mode is 8.24 kcal/mol better than cis-exo analogue.

• Preventive Nutrition and Food Science
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• v.11 no.3
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• pp.253-256
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• 2006

The purpose of this study was to develop a gas chromatographic (GC) method to analyze fatty acids in milk fat with a single injection. The single-injection GC method we developed for analyzing fatty acid composition can separate a wide range of fatty acid methyl esters from butyric acid to docosahexaenoic acid. It separated 6 isomers of 18:1 (cis-6, cis-9, cis-11, trans-6, trans-9 and trans-11), 4 isomers of 18:2 (cis-9-cis-12, trans-9-trans-12, cis-9-trans-12 and trans-9-cis-12), and 4 isomers of conjugated 18:2 (cis-9- trans-11, trans-9-cis-11, cis-10-trans-12 and trans-10-cis-12).

• Journal of the Korean Chemical Society
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• v.48 no.6
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• pp.568-576
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• 2004

Density functional theory calculations are presented for dicyanoacetylene $N{\equiv}C-C{\equiv}C-C{\equiv}N$ and its geometrical isomers. The structures and harmonic frequencies are computed by the BLYP theory employing the 6-311G^{\ast}$ basis set. A variety of isomers are predicted, and the relative energies are compared to estimate their thermodynamic stability.

• Nutrition Research and Practice
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• v.2 no.4
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• pp.326-330
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• 2008

Conjugated linoleic acids (CLA) were identified in 1980's, since then it has been intensively studied due to its various beneficial health effects such as anti-inflammatory, anti-atherogenic, anti-carcinogenic and anti-diabetic/obesity effects. Isomer specificity of a number of CLA isomers, especially predominant isomer 9Z,11E- and 10E,12Z-CLA, is now recognized. However, the less prevalent CLA isomers have not been well characterized. Recently, studies have reported the distinctively different effects of 9E, 11E-CLA in colon cancer cells, endothelial cells, and macrophage cells compared to the rest of CLA isomers. In this review, various effects of CLAs, especially anti-inflammatory and anti-atherogenic effects, will be discussed with focusing on the isomer-specific effects and potential mechanism of action of CLA. At last, recent studies about 9E,11E-CLA in in vitro and animal models will be discussed.

• Bulletin of the Korean Chemical Society
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• v.15 no.9
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• pp.795-799
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• 1994

Kinetic studies of the deacylation reactions of p-and m-nitrophenyl esters of (R or S)-${\alpha}$ -methoxyphenylacetic acid were performed in ${\beta}$ -CD, mono-6-deoxy-6-[N-(2-aminoethyl)]amino-${\beta}$-CD (${\beta}$-CDen) and mono-6-deoxy-6-[N-(2-aminoethyl)-2-aminoethyl] amino-${\beta}$-CD (${\beta}$-CDdien) media. The binding constants (K) of the substrates to the hosts and the rate constants ($k_{\varphi}^{CD}$) for the complexed substrates were determined. $k_{\varphi}^{CD}$ values are highly dependent on the hosts and the substrates, whereas differences in K values among them are modest. The p-nitrophenyl esters show larger acceleration by -${\beta}$-CDen and -${\beta}$-CDdien than the corresponding m-isomers, while the m-isomers are more reactive than the p-isomers in -${\beta}$-CD media. This is taken as an indication that the amino groups attached to the primary side of -${\beta}$-CD participate in the deacylation reaction.

• Bulletin of the Korean Chemical Society
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• v.17 no.5
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• pp.428-432
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• 1996

Amino acid cobalt(Ⅲ) complexes of 1,3-diminopropane-N,N'-di-α-(β-methyl)-pentanoic acid (H2dpdmp), uns-cis-[Co(dpdmp)(aa)] (aa=glycine, S-alanine, R-aspartic acid, sarcosine) have been prepared from the reaction between the uns-cis-[Co(dpdmp)Cl2]- complex and the corresponding amino acid. In the reaction with the uns-cis-[Co(dpdmp)Cl2]- complex, glycine and S-alanine have yielded both merridional and facial isomers, while R-aspartic acid and sarcosine, only merridional isomers. The stereospecific substitution reaction of R-aspartic acid to racemic uns-cis-[Co(dpdmp)Cl2]- complex has yielded two merridional diastereomers; ΛR-uns-cis- and ΛR-uns-cis-[Co(dpdmp)(R-asp)]. It is of interest to note that this is one of the few CoⅢ(ONNO)(aa) type complex preparations, which gives only one isomer with stereospecificity. On the other hand, two merridional products obtained from the reaction of sarcosine with racemic uns-cis-[Co(dpdmp)Cl2]- are turned out to be mixtures of optical isomers.

• Bulletin of the Korean Chemical Society
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• v.7 no.5
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• pp.362-366
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• 1986

Synthesis and hydrolysis of aromatic diketimines of triaryl type were investigated by the action of aryl organometallics on the three isomers of phthalonitrile. The reactions of organometallic reagents, prepared from bromobenzene, o-bromotoluene and o-bromoanisol, with iso- and terephthalonitrile proceeded in normal way. Decomposition of the addition complex with dry ammonia, methanol or water gave six diketimines, which could be hydrolysed to the corresponding diketones. Reactions of phthalonitrile with the organometallic reagent were different from the other isomers, so that the decomposition and hydrolysis of the addition complex did not give diimines and the corresponding aromatic diketones.