• Bulletin of the Korean Chemical Society
• /
• 제32권9호
• /
• pp.3372-3376
• /
• 2011

We have studied the relative stability and atomic structures of five $C_{20}X_2$ regioisomers obtained as diadducts of a $C_{20}$ cage (X = H, F, Cl, Br, and OH). All the regioisomers are geometric isomers, i.e., they differ in their spatial arrangement. Full-geometry optimizations of the regioisomers have been performed using the hybrid density-functional (B3LYP/6-31G(d, p)) method. Our results suggest that the cis-1 regioisomer (the 1,2-diadduct) is the most stable and that the second most stable is the trans-2 (1,13-diadduct) regioisomer, implying that the long-range interaction between the two adducts and the resonance effect are more pronounced than the diadduct-induced strain in the $C_{20}$ cage. The HOMO and LUMO characteristics of each regioisomer with the same symmetry of structural regioisomers except $C_{20}(OH)_2$ are topologically same. This suggests that by using an entirely different set of characteristic chemical reactions for each regioisomer, we can distinguish between the five regioisomers for each $C_{20}$ diadduct derivative.

• Molecules and Cells
• /
• 제22권1호
• /
• pp.97-103
• /
• 2006

Phosphoinositides are critical regulators of ion channel and transporter activity. There are multiple isomers of biologically active phosphoinositides in the plasma membrane and the different lipid species are non-randomly distributed. However, the mechanism by which cells impose selectivity and directionality on lipid movements and so generate a non-random lipid distribution remains unclear. In the present study we investigated which structural elements of phosphoinositides are responsible for their subcellular location and movement. We incubated phosphatidylinositol (PI), phosphatidylinositol 4-monophosphate (PI(4)P) and phosphatidylinositol 4,5-bisphosphate ($PI(4,5)P_2$) with short or long acyl chains in CHO and HEK cells. We show that phosphate number and acyl chain length determine cellular location and translocation movement. In CHO cells, $PI(4,5)P_2$ with a long acyl chain was released into the cytosol easily because of a low partition coefficient whereas long chain PI was released more slowly because of a high partition coefficient. In HEK cells, the cellular location and translocation movement of PI were similar to those of PI in CHO cells, whereas those of $PI(4,5)P_2$ were different; some mechanism restricted the translocation movement of $PI(4,5)P_2$, and this is in good agreement with the extremely low lateral diffusion of $PI(4,5)P_2$. In contrast to the dependence on the number of phosphates of the phospholipid head group of long acyl chain analogs, short acyl chain phospholipids easily undergo translocation movement regardless of cell type and number of phosphates in the lipid headgroup.

• 마이크로전자및패키징학회지
• /
• 제6권2호
• /
• pp.23-30
• /
• 1999

이성질체에 따른 폴리이미드 박막의 잔류응력 영향과 모폴로지와의 상관관계가 조사되었다. 이를 위해, Poly(phenylene biphenyltetracarboximide) (BPDA-PDA)와 poly (oxydiphenylene biphenyltetracar-boximide) (BPDA-ODA)를 여러 다른 diamine인 1, 3-phenylene diamine (1, 3-PDA), 1.4-phenylene diamine (1,4-PDA)과 3.4'-oxydiphenylene diamine (3,4'-ODA) , 4,4'-oxydiphenylene diamine (4.4'-ODA)으로부터 제조하였다. 이들 박막에 대하여, Thin Film Stress Analyzer (TFSA)를 이용하여 공정온도 (25~$400^{\circ}C$)하에서 전구체의 열적 이미드화에 따라 실시간으로 폴리이미드 박막의 잔류응력 거동을 측정하였다. 폴리이미드 박막의 잔류응력은 면 방향 배향성과 사슬 질서도가 우수한 BPDA-1,4-PDA가 7MPa로 가장 낮게 나타났으며 BPDA-1,3-PDA, BPDA-3,4'-ODA, BPDA-4,4'-ODA의 경우 40~50Mpa 범위에 있었다. 이성질체에 따른 폴리이미드 박막의 잔류응력은 모폴로지 (사슬 강직도, 질서도, 배향성) 변화 및 유리전이 거동과 관련된 사슬 운동성을 이용하여 분석되었다.

• 대한화학회지
• /
• 제39권12호
• /
• pp.940-945
• /
• 1995

입체특이성을 가지는 N, N'-bis-[2(S)-pyrrolidinylmethyl]ethane-1, 2-diamine(SS-epm) 리간드를 합성하여, $CoCl_2{\cdot}6H_2O$와 trans-$[Co(pyridine)_4Cl_2]Cl$에 각각 반응시켜 녹색결정을 얻었다. 원소분석과 전자흡수스펙트럼 자료에 따라 trans-$[Co(SS-epm)Cl_2]_2(COCl_4)$의 조성을 갖게됨을 확인하였다. 또한, 착물의 CD스펙트럼에서는 리간드의 입체특이성으로 인해 vicinal effect가 유발되었고, 장파장에서 음(-)의 cotton 효과를 나타내었으며, 킬레이트된 리간드의 conformation은 5원 킬레이트고리에 대해 ${\delta}{\lambda}{\delta}$(SRRS)를 취하고 있었다. SS-epm 리간드가 배위된 trans형 착물의 생성은 대이온으로 작용한 $Co(II)Cl_4^{2-}$가 대단히 중요한 이온회합 효과를 갖고 있음을 알게 되었다. 아울러, 분자역학(MM)적 방법으로 이차아민의 배향에 따른 각 이성질체의 strain energy를 계산하여, 평형상태에서 안전한 이성질체를 찾고, 동시에 분광학적 자료와 비교 검토하였다.