• 대한화학회지
• /
• 제38권12호
• /
• pp.864-872
• /
• 1994

열변색 현상을 나타내는 spiropyran과 spirooxazine 유도체의 흡수 스펙트럼을 관찰하였다. 흡수 스펙트럼의 용매효과를 관찰한 결과, 치환되지 않은 spiro 화합물은 merocyanine-like form이 quinoid type이며, 전자끄는기가 치환된 spiro 화합물은 merocyanine-like form이 zwitter-ion type임을 확인하였다. 닫힌형 구조와 merocyanine-like form 사이의 엔탈피 변화량을 측정하였다. Spiro 화합물의 엔탈피 변화량은 용매의 극성이 증가할수록 감소함을 관찰하였다. Merocyanine-like form의 흡수 스펙트럼을 세 개의 Lorentzian-Gaussian 곱함수의 띠로 분해하였으며, 각 띠의 모양이 용매에 어떻게 변화하는지도 관찰하였다.

• 대한화학회지
• /
• 제52권6호
• /
• pp.649-656
• /
• 2008

• Bulletin of the Korean Chemical Society
• /
• 제33권12호
• /
• pp.4079-4083
• /
• 2012

The mechanism of the cycloaddition reaction between singlet state dichlorosilylene germylidene ($Cl_2Si=Ge:$) and acetone has been investigated with B3LYP/6-$31G^*$ and B3LYP/6-$31G^{**}$ method, from the potential energy profile, we predict that the reaction has one dominant reaction pathway. The presented rule of the reaction is that the two reactants firstly form a Si-heterocyclic four-membered ring germylene through the [2+2] cycloaddition reaction. Because of the 4p unoccupied orbital of Ge atom in the Si-heterocyclic four-membered ring germylene and the ${\pi}$ orbital of acetone forming a ${\pi}{\rightarrow}p$ donor-acceptor bond, the Si-heterocyclic four-membered ring germylene further combines with acetone to form an intermediate. Because the Ge atom in the intermediate hybridizes to an $sp^3$ hybrid orbital after the transition state, then, the intermediate isomerizes to spiro-heterocyclic ring compound involving Si and Ge (P4) via a transition state.

• Bulletin of the Korean Chemical Society
• /
• 제13권4호
• /
• pp.375-381
• /
• 1992

In this study we have synthesized two spiro orthocarbonates, which can be polymerized with volume expansion, and determined their crystal structures. The crystal data are as follows; 3,4,10,11-Di(9,10-dihydro-9,10-ethanoanthracenyl)- 1,6,8,13-tetraoxa-6.6-tridecane 5: a = 16.898 (1), b = 9.299 (1), c = 24.359 (2) ${\AA}$, $\beta$ = 123.73 $(7)^{\circ}$, space group P21/c and R = 0.073 for 2954 reflections; compound 8: a = 15.244 (4), b = 15.293 (3), c = 10.772 (3) $\AA$, ${\beta}$ = 99.45 $(2)^{\circ}$, space group P21/c and R = 0.082 for 2346 reflections. The seven-membered rings of compound 5 are chair forms and all the six-membered rings are boat shaped. For a six-membered spiro orthocarbonate, 3,9-Di(9-fluorenylidenyl)-1,4,6,9-tetraoxa-5,5-und ecane 8, fluorene groups [C(1) atom through C(13) atom] are planar within ${\pm}0.09{\AA}$ and the six-membered rings have chair conformations. The whole molecule has pseudo-C2 symmetry. The water molecules in the crystal are linked with each other through the hydrogen bond with distance of 2.790 (20) ${\AA}$.

• 통합자연과학논문집
• /
• 제3권2호
• /
• pp.107-111
• /
• 2010

Silicon-containing ${\pi}$-conjugated compounds, especially silacyclopentadienes (siloles), have emerged as a new class of electroactive materials with good electron transport properties in OLEDs. 9,9'-spiro-9-silabifluorene compound as well as its starting material 2,2'-dibromobiphenyl have been synthesized with higher yields. Spirosilabifluorene is expected to be an efficient host material for the blue-light emitting diodes. 9,9'-spiro-9-silabifluorene, 1,1-dichloro-1-silafluorene, and 1,1-dimethyl-1-silafluorene were characterized by $^1H$-NMR, UV/Vis and photoluminescence spectroscopy.

• Bulletin of the Korean Chemical Society
• /
• 제29권8호
• /
• pp.1472-1478
• /
• 2008

The synthesis of a new series of 1$\beta$-methylcarbapenems having spiro[2,4]heptane moieties is described. Their in vitro antibacterial activities against both Gram-positive and Gram-negative bacteria were tested and the effect of substituents at the pyrrolidine ring was investigated. Most of the compounds were found to be more active compared to imipenem against Gram-negative bacteria. A particular compound (IIIc) having 7-oxo-5- azaspiro[2,4]heptane moiety showed the most potent antibacterial activity.

• 한국정보디스플레이학회:학술대회논문집
• /
• 한국정보디스플레이학회 2007년도 7th International Meeting on Information Display 제7권1호
• /
• pp.628-631
• /
• 2007

We developed new green emitting materials based on the spiro moieties. The introduction of a spiro linkage into the structure of DJGH series lead to a reduction in crystallization tendency and an increase in glass transition temperature. they showed much better emitting efficiency and color purity than commercial host material $Alq_3$.

• Bulletin of the Korean Chemical Society
• /
• 제34권12호
• /
• pp.3690-3694
• /
• 2013

The $H_2Ge=Ge:$ and its derivatives ($X_2Ge=Ge:$, X = H, Me, F, Cl, Br, Ph, Ar${\ldots}{\ldots}$) is a new species. Its cycloaddition reactions is a new area for the study of germylene chemistry. The mechanism of the cycloaddition reaction between singlet state Cl2Ge=Ge: and formaldehyde has been investigated with CCSD(T)//MP2/$6-31G^*$ method. From the potential energy profile, it could be predicted that the reaction has only one dominant reaction pathway. The reaction rule presented is that the two reactants first form a fourmembered Ge-heterocyclic ring germylene through the [2+2] cycloaddition reaction. Because of the 4p unoccupied orbital of Ge: atom in the four-membered Ge-heterocyclic ring germylene and the ${\pi}$ orbital of formaldehyde forming a ${\pi}{\rightarrow}p$ donor-acceptor bond, the four-membered Ge-heterocyclic ring germylene further combines with formaldehyde to form an intermediate. Because the Ge: atom in intermediate hybridizes to an $sp^3$ hybrid orbital after transition state, then, intermediate isomerizes to a spiro-Ge-heterocyclic ring compound via a transition state. The research result indicates the laws of cycloaddition reaction between $H_2Ge=Ge:$ and formaldehyde, and laid the theory foundation of the cycloaddition reaction between $H_2Ge=Ge:$ and its derivatives ($X_2Ge=Ge:$, X = H, Me, F, Cl, Br, Ph, Ar${\ldots}{\ldots}$) and asymmetric ${\pi}$-bonded compounds, which is significant for the synthesis of small-ring and spiro-Ge-heterocyclic compounds. The study extends research area and enriches the research content of germylene chemistry.

• Asian Pacific Journal of Cancer Prevention
• /
• 제16권9호
• /
• pp.3759-3765
• /
• 2015

Background: Approaches in disruption of MDM2-p53 interactions have now emerged as an important therapeutic strategy in resurrecting wild type p53 functional status. The present study highlights virtual screening strategies in identification of high affinity small molecule non-peptidic inhibitors. Nutlin3A and RG7112 belonging to compound class of Cis-imidazoline, MI219 of Spiro-oxindole class and Benzodiazepine derived TDP 665759 served as query small molecules for similarity search with a threshold of 95%. The query molecules and the similar molecules corresponding to each query were docked at the transactivation binding cleft of MDM2 protein. Aided by MolDock algorithm, high affinity compound against MDM2 was retrieved. Patch Dock supervised Protein-Protein interactions were established between MDM2 and ligand (query and similar) bound and free states of p53. Compounds with PubCid 68870345, 77819398, 71132874, and 11952782 respectively structurally similar to Nutlin3A, RG7112, Mi219 and TDP 665759 demonstrated higher affinity to MDM2 in comparison to their parent compounds. Evident from the protein-protein interaction studies, all the similar compounds except for 77819398 (similar to RG 7112) showed appreciable inhibitory potential. Of particular relevance, compound 68870345 akin to Nutlin 3A had highest inhibitory potential that respectively showed 1.3, 1.2, 1.16 and 1.26 folds higher inhibitory potential than Nutilin 3A, MI 219, RG 7112 and TDP 1665759. Compound 68870345 was further mapped for structure based pharamacophoric features. In the study, we report Cis-imidazoline derivative compound; Pubcid: 68870345 to have highest inhibitory potential in blocking MDM2-p53 interactions hitherto discovered.

• 청정기술
• /
• 제16권4호
• /
• pp.239-244
• /
• 2010

스파이로 구조의 플로렌 에폭사이드, 9,9'-Bis(4-oxiranylmethoxyphenyl) fluorine (2)를 4차 암모니늄 또는 인산염을 촉매를 사용하여 이산화탄소와 반응시켜 5각고리의 플로렌 카보네이트 화합물로 전환시켰다. 이 과정은 주요 온실가스의 하나인 초임계 조건의 이산화탄소를 C-1 재료로 쓰고 동시에 반응용매로 이용하는 청정반응의 한 예로 볼 수 있다. 4차염의 종류와 반응조건이 반응에 미치는 영향에 대해 조사한 결과, 촉매의 음이온의 종류, 알킬 치환기, 반응온도가 반응에 큰 영향을 미치는 것으로 나타났다. 브롬화 사부틸 암모늄 촉매 (2 mol%)를 쓰고 플로레닐 에폭사이드를 75.9 bar 압력의 이산화탄소를 393 K에서 반응시켰을 때 플로레닐 카보네이트를 92% 수율로 얻을 수 있었다.