• Archives of Pharmacal Research
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• 제13권1호
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• pp.82-96
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• 1990

Ten (E)-and (Z)-isomers of 2-phenylcyclopropylamine (PCA), 1-Me PCA, 2-Me-PCA, N-Me-PCA, and N, N-diMe PCA and fifteen o-. m-, p- isomers of (E) PCA with substituents of Me, Cl, F, OMe, OH were synthesized in this laboratory and tested for the inhibition of rat brain mitochondrial MAO-A and MAO-B. The effects of substituents, their positions, and stereochemistry on the inhibition were assessed for the compounds with substituents at cyclopropyl and amino groups and QSAR analyses were performed using the potency data of ring-substituted compounds. The best correlated QSAR equations are as follows : pI$_{50}$ = 0.804 $\pi^2$-0.834 Blo-1.069 Blm + 0.334 Lp-1.709 HDp +7.897 (r = 0.945, s =0.211, F = 16.691, p = 0.000) for the inhibition of MAO-A;PI$_{50}$= 1.815$\pi$-0.825 $\pi^2$-1.203R + 0.900 Es$^2$ + 0.869 Es$^3$ + 0.796 Es$^4$-0.992 HDp + 0.562 HAo + 3.893 (r = 0.982, s =0.178, F = 23.351, p = 0.000) for the inhibition of MAO-B. Based on the potency difference between stereoisomers of cyclopropylamine-modified compounds and an QSAR cavity near para position, two hydrophobic carities interacting with Me group, a hydrophobic site near para position, and an amino group binding site and that in addition to the same two hydrophotic cavities, hydrophotic area, steric boundaries, hydrogen-acceptor site, and amino group binding site, another steric boundary near para position and a hydrogen donating site near ortho position constitute active sites of MAO-B.

• 농약과학회지
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• 제3권3호
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• pp.11-19
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• 1999

Fenoxaprop-ethyl계 화합물의 amide 형태로 합성된 기질로써 일련의 2-(4-(6-chloro-2-benzoxazolyloxy)phenoxy)-N-phenylpropionamide 유도체들은 건답에서 발아 후 (post), 벼와 피 (Echinochloa crus-galli)에 대하여 Fenoxaprop-ethyl 보다 비교적 양호한 선택성을 나타내었으며 N-phenyl 치환체들의 선택성에 관한 구조-활성과의 관계 (SAR)를 Free-Wilson 방법과 Hansch 방법을 이용하여 정량적으로 검토하였다. 피의 제초활성에는 N-phenyl 고리상 meta-치환된 1 치환체들과 ortho, meta, para-치환된 3 치환체로서 methyl 및 methoxy 등의 치환체들이 비교적 높게 기여하였다. 또한 적정값 ($({\pi})_{opt.}=1.60$)의 소수성을 갖는 전자 밀게 (${\sigma}<0$)들의 공명효과 (R<0)가 제초활성을 개선하는데 영향을 미치고 있음을 알았다. 벼의 경우에는 para-치환된 1-치환체나 ortho, para-치환된 2-치환체로써 Taft의 입체효과 (Es)에 대한 적정값 ($(ES)_{opt.}=0.87$)을 벗어나는 전자 밀게에 의한 공명효과 (R<0)가 약해를 줄이기 위한 조건이었으며 벼와 피 사이의 선택성에 기여하는 물리-화학적인 요인이었다. 그리고 SAR식에 따라 온실 내에서 피에 대하여 가장 큰 활성을 나타내는 화합물은 2-ethoxy-3-methoxy-4-dimethylamino 치환체 ($pI_{50}$=6.60, 1g/ha)로 예상되었다.

• 자원환경지질
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• 제5권1호
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• pp.21-38
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• 1972

In this paper, the author discussed about following subjects for the studies of acidic plutonic rocks in Korea. (1) The criteria of distinction between ortho-origin and para.origin of acidic plutonic rocks using the statistic chemical treatment of lognormal type distribution of H.L. Arhens (1954, 1957, 1963), the normative Q-Ab-Or triangle of O.F. Tuttle and N.L. Bowen(1958), plagioclase twin type of M. Gorai(1952) and optical measurement of ordering degree of plagioclase of K. Uruno(1963), (2) Macroscopic structural classification of migmatites of K.R. Mehnert(l968), (3) Volcano-plutonism comparing the geological features in the younger orogenic belts in Japan and Cordillera in America and (4) The original sources of granitic magma in the viewpoint of isotope geology.

• Bulletin of the Korean Chemical Society
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• 제32권11호
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• pp.3855-3860
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• 2011

The competitive solvent extractions of alkali and alkaline earth metals by di-ionizable calix[4]arene nano-baskets were studied using nine conformers of calix[4]arene nano-baskets. The objective of this work is to assess the variation of macrocycle conformation, orientation and position of pendant moieties upon the extraction parameters (efficiency, selectivity and $pH_{1/2}$) of the complexes. The results revealed that alternation of ring conformation in calixarene scaffold affects the solvent extraction parameters towards alkali and alkaline earth metals, while changing the orientation of pendant moieties from ortho- to para- as well as cis- to trans-analogues depicted no changes in those extraction parameters.

• 대한화학회지
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• 제19권4호
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• pp.213-217
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• 1975

N,N-디에틸-m-톨루아미드 분자는 malaria 모기에 대한 방충제로서의 효력이 있지만 메틸기가 오르토나 파라 위치에 있는 이성질체들은 그러한 효능이 없다. 반 실험적 양자역학 이론인 확장 Huckel 이론을 사용하여 이들 분자들의 형태를 계산하고 상기의 차이점을 이론적으로 설명하고 실험결과와 비교하였다.

• 대한화학회지
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• 제7권4호
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• pp.225-229
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• 1963

The nature of the two isomers of 4-nitroazoxybenzenes in strongly acidic solution have been analyzed by U.V. spectrophotometry. Oxygen atom in the azoxy-group of $\alpha$-and $\beta$-4-nitroazoxybenzene in strong acid solution migrates neither to para position nor ortho position of the unsubstituted benzene ring of the compound in contrast with the cases of methyl-and bromo-substituted azoxybenzene, and shown no Wallach rearrangement. Since the $^1A{\rightarrow}^1H$ bands of the spectra shown hyperchromic effect whereas the ${\pi}{\rightarrow}{\pi}^*$ bands of them exhibit extream hypochromic effect, it appears most likely that trans ${\rightarrow}$cis isomerization take place in the media. A mechanism of a triangular transition state by which the transformation might be proceeded, is proposed.

• 생약학회지
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• 제8권1호
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• pp.17-21
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• 1977

$^{13}C-NMR$ behaviors of phenolic compounds such as phenol, catechol, pyrogallol, resorcine, phoroglucine and hydroquinone were studied. From the study on the effects of OH-substitution on benzene and its dervatives it was found that the additivity rule can be applied to the ortho-and para-effect but not to the meta-effect for the OH-function. The empirically calculated chemical shifts regarding the o-and p-effects coincide very well with the results of measurement. The chemical shifts of the phenolic compounds can be classified into three types. 1) Catechol-type C-1 and C-2 145 ppm C-3 and C-6 116-107 ppm 2) Pyrogallol-type C-1 132ppm C-2 and C-6 146ppm C-3 and C-5 106ppm 3) Resorcin-type C-1 and C-3 159ppm C-2 103-95ppm C-4 and C-6 107ppm

• 한국수소및신에너지학회논문집
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• 제9권2호
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• pp.53-64
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• 1998

Thermal analysis on a Linde-Hampson hydrogen liquefaction system using cryogenic refrigerators as precooling has been carried out. Three commercially available models of cryogenic refrigerators, such as CTI l020CP, CVI CGR009 and CVI CGR011, are considered in the performance analysis. The effect of ortho-para conversion process during hydrogen liquefaction is also studied in detail. The results obtained indicate that the optimal hydrogen mass flow rate and the optimal compressed pressure exist for the maximum hydrogen liquefaction rate. The optimal compressed pressure is increased in the range of 80 - 120 bar with an increase in the hydrogen mass flow rate. It is also found that better performance could be obtained with a cryogenic refrigerator, which produces high cooling capacity at precooling temperature in the range of 80 - 100 K.

• 생약학회지
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• 제11권3_4호통권43호
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• pp.153-162
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• 1980

1) The hydroxy-substitution in the simple phenolic compounds follows an additivity rule in the chemical shifts of their aromatic carbon atoms. In para-and ortho-effects is a good agreement between calculated and measured values, but the meta-effect is not certain. 2) The additivity rule was applied to assign the chemical shifts of catechins. 3) The nuclear overhauser effect was applied to assign the chemical shifts of C-8 and C-6 atoms of catechins and their polymer. The signal of C-8 is lower in intensity and appear in lower field than C-6. 4) The results of the NOE were applied to determine the bonding positions of catechin units in the catechin dimer and trimer. The bonding positions are C-8a and C-8b atoms of the second and third catechin units. 5) It was tried to determine the conformation of the catechin dimer and trimer by analysing the signal shapes of C-3' and C-4' atoms in the catechol moieties. The catechol moieties lie in opposite side in the dimer and trimer structure. A combined analysis of $^{13}C-and\;^1H-NMR$ results lead to the suggestion that such a catechin polymer is a zigzag planar form.

• Bulletin of the Korean Chemical Society
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• 제33권11호
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• pp.3740-3744
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• 2012

We synthesized three different derivatives of bis-spiropyran using simple organic reactions with high yields. BSP1, a derivative of bis-spiropyran having a connection at the position 6' and BSP2, a derivative of bis-spiropyran having a connection at the position 5 and BSP3, a derivative of bis-spiropyran containing a dithienylethene group between two spiropyran moieties were synthesized. The optical properties of BSPs were characterized. UV-Vis spectra showed that BSPs exhibit reversible photo-isomerization and the efficiency of photo-isomerization is highly dependent on the position of nitro group. BSPs having nitro group at para position of hydroxy group showed the higher efficiency of photo-isomerization that the one having nitro group at ortho position. The optical microscope images obtained under ultraviolet or visible light exposure demonstrated that the formation of nanorods can be reversibly controlled by optical signal.