• 제목/요약/키워드: ring structure

검색결과 1,337건 처리시간 0.03초

치환 옥사졸의 양성자 친화도에 대한 ab initio 연구 (Ab Initio Studies on Proton Affinities of Substituted Oxazoles)

  • 이현미;이송은;장만식;박병각;이갑용
    • 대한화학회지
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    • 제39권7호
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    • pp.493-500
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    • 1995
  • 옥사졸 고리를 포함하는 lexitropsin에서, DNA minor groove의 염기쌍(G-C sequence)과 결합하는 부분인 옥사졸의 최적화된 기하학적 구조를 MM+ 및 ab initio(Hartree-Fock) 계산을 통해 밝혔다. 최적화딘 구조에 대해 6-31G 및 $6-31G^{\ast}$ basis set를 사용하여 양성자 친화도와 전자적 구조를 계산하였다. 아울러 옥사졸의 양성자 친화도에 미치는 치환기 효과를 알아보기 위해 전자를 주는 기와 전자를 끄는 기를 갖는 여러 치환 옥사졸에 대해 양성자 친화도를 조사하였다. 그 결과 전자를 주는 기는 옥사졸의 양성자 친화도를 증가시키는 반면 전자를 끄는 기는 양성자 친화도를 감소시킴을 알았으며, 이 결과를 치환 옥사졸의 산소의 atomic charge와 전자밀도로 설명할 수 있었다.

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방향족 고리 함량이 공중합 액정 폴리에스터의 성질에 미치는 영향 (Effect of Aromatic Ring Content on the Properties of Liquid Crystalline Copolyesters)

  • 박종률;방문수
    • 한국산학기술학회논문지
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    • 제15권1호
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    • pp.575-580
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    • 2014
  • 단위체로서 4-[4-(4-hydroxyphenoxy)butoxy]benzoic acid (HBBA)와 p-hydroxy benzoic acid (HBA)를 사용하여 직접 중축합방법에 의해 액정 공중합체를 합성하였다. 합성된 중합체의 구조와 성질은 $^1H$-NMR, FT-IR, DSC, TGA, POM에 의하여 조사되었다. 연구결과에 의하면, 페놀/p-클로로페놀/1,1,2,2-테트라클로로에탄 (25/40/35=w/w/w) 내에서 측정된 중합체의 고유점성도 (${\eta}_{inh}$)는 0.77~1.60 dL/g로 측정되었으며, 중합체 P-80을 제외하고, 공중합체들의 전이온도와 액정상의 범위는 HBA의 양이 증가함에 따라 증가하였다. 중합체의 이러한 특성은 중합체 사슬의 불규칙성과 강직성이 증가하였기 때문으로 생각된다.

Iridium (III) quinoxaline 착물의 전자 구조, 인광 및 전기 발광 특성에 대한 DFT 및 시간-의존 DFT 연구 (DFT and Time-dependant DFT Investigation of eLectronic Structure, Phosphorescence and Electroluminescence Properties of Iridium (III) Quinoxaline Complexes)

  • Zhou, Xiao-Qing;Li, Ying;Sun, Yan-Bo;Zhang, Hong-Xing
    • 대한화학회지
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    • 제55권3호
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    • pp.354-363
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    • 2011
  • 3개의 적색 발광 Ir(III) 착물들인 $(fpmqx)_2Ir$(L) {fpmqx=2-(4-fluorophenyl)-3-methyl-quinoxaline; L=triazolylpyridine (trz) (1); L=picolinate (pic) (2) and L=acetylacetonate (acac) (3)}의 전자 구조, 흡수 및 인광 메커니즘, 전기 발광(EL) 특성을 양자화학적으로 연구하였다. 계산 결과에 따르면, 1의 HOMO는 강한 ${\eth}$-전자 받개 능력을 갖는 trz 부분에 편재되어 있으며, 2와 3의 HOMO는 Ir d-오비탈 과 페닐 고리 ${\pi}$-오비탈의 결합이라는 것을 나타내었다. 이 논문에서는 1-3사이의 인광 수득률과 차이에 대하여 연구하였으며, 1과 3보다 2의 EL 효율이 더 큰 이유를 합리적으로 설명하였다.

The Studies on Molecular Geometries and Electronic Structures of Substituted meso-Catecholic Porphyrins: DFT Methods and NSD

  • Park, Seung-Hyun;Kim, Su-Jin;Kim, Jin-Dong;Park, Sung-Bae;Huh, Do-Sung;Shim, Yong-Key;Choe, Sang-Joon
    • Bulletin of the Korean Chemical Society
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    • 제29권6호
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    • pp.1141-1148
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    • 2008
  • Geometry optimizations and electronic structure calculations are reported for meso-tetraphenyl porphyrin (TPP) and a series of meso-substituted catecholic porphyrins (KP99150, KP99151, KP99152, KP99153, and KP99090) using density functional theory (DFT). The calculated B3LYP//RHF bond lengths are slightly longer than those of LSDA//RHF. The calculated electronic structures clearly show that TPP and meso-catecholic group contribute to π-electron conjugation along porphyrin ring for HOMO and LUMO, significantly reduced the HOMO-LUMO gap. The wavelength due to B3LYP energy gaps is favored with experimental value in Soret (B), and LSDA energy gaps are favored with experimental value in visible bands (Q). The electronic effect of the catecholic groups is to reduced energies of both the HOMOs and LUMOs. However, the distortion of porphyrin predominantly raises the energies of the HOMOs, so the net result is a large drop in HOMO and smaller drop in LUMO energies upon meso-substituted catecholic group of the porphyrin macrocycle as shown in KP99151 and KP99152 of Figure 5(a). These results are in reasonable agreement with normal-coordinate structural decomposition (NSD) results. The HOMO-LUMO gap is an important factor to consider in the development of photodynamic therapy (PDT).

70 nm MHEMT와 DAML 기반의 하이브리드 링 커플러를 이용한 우수한 성능의 94 GHz 단일 평형 혼합기 (High-performance 94 GHz Single Balanced Mixer Based on 70 nm MHEMTs and DAML Technology)

  • 김성찬;임병옥;백태종;신동훈;이진구
    • 대한전자공학회:학술대회논문집
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    • 대한전자공학회 2005년도 추계종합학술대회
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    • pp.857-860
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    • 2005
  • We reported 94 GHz, low conversion loss, and high isolation single balanced active-gate mixer based on 70 nm gate length InGaAs/InAlAs metamorphic high electron mobility transistors (MHEMTs). This mixer showed that the conversion loss and isolation characteristics were 2.5 ${\sim}$ 2.8 dB and under -30 dB, respectively, in the range of 93.65 ${\sim}$ 94.25 GHz. The low conversion loss of the mixer is mainly attributed to the high-performance of the MHEMTs exhibiting a maximum drain current density of 607 mA/mm, a extrinsic transconductance of 1015 mS/mm, a current gain cutoff frequency ($f_t$) of 330 GHz, and a maximum oscillation frequency ($f_{max}$) of 425 GHz. High isolation characteristics are due to hybrid ring coupler which adopted dielectric-supported air-gapped microstrip line (DAML) structure using surface micromachined technology. To our knowledge, these results are the best performance demonstrated from 94 GHz single balanced mixer utilizing GaAs-based HEMTs in terms of conversion loss as well as isolation characteristics.

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메타세콰이어, 카담, 물푸레나무 세포내강의 액체이동 (Capillary Flow in Different Cells of Metasequoia glyptostroboides, Anthocephalus cadamba, and Fraxinus rhynchophylla)

  • 전수경
    • 한국가구학회지
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    • 제29권1호
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    • pp.1-7
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    • 2018
  • A study was carried out to observe the 1% aqueous safranine solution flow speed in longitudinal and radial directions of softwood Metasequoia glyptostroboides, diffuse-porous wood Anthocephalus cadamba and ring-porouswood Fraxinus rhynchophylla. In radial direction, ray cells and in longitudinal direction, tracheids, vessel and wood fiber were considered for the measurement of liquid penetration speed at less than 12% moisture contents (MC). The length, lumen diameter, pit diameter, end wall pit diameter and the numbers of end wall pits determined for the flow rate. The liquid flow in the those cells was captured via video and the capillary flow rate in the ones were measured. Vessel in hardwood species and tracheids in softwood was found to facilitate prime role in longitudinal penetration. Anatomical features like the length and diameter, end-wall pit numbers of ray parenchyma were found also responsible fluid flow differences. On the other hand, vessel and fiber structure affected the longitudinal flow of liquids. Therefore, the average liquid penetration depth in longitudinal tracheids of Metasequoia glyptostroboides was found the highest among all cells considered in Anthocephalus cadamba and Fraxinus rhynchophylla In radial direction, ray parenchyma of Metasequoia glyptostroboides was found the highest depth and the one of Fraxinus rhynchophylla was the lowest. The solution was penetrated lowest depth in the wood fiber of Fraxinus rhynchophylla. The large vessel of Fraxinus rhynchophylla was found the lowest depth among the vessels. The solutin was penetrated to the wood fiber of Anthocephalus cadamba higher than the one of Fraxinus rhynchophylla.

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개선된 전력 분배율을 갖는 태극형 방향성 결합기에 관한 연구 (A Study on the Taegeuk Shaped Directional Coupler with Improved Power Split Ratio)

  • 양규식;오양현;이종악
    • 한국전자파학회지:전자파기술
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    • 제2권2호
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    • pp.19-24
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    • 1991
  • 본 논문에서는 태극 모양의 새로운 방향성 결합기를 고안하여 높은 전력 분배율을 실현할 수 있음을 실험을 통하여 입증하였다. 제안돈 태극형 방향성 결합기는 하이브리드 링형 방향성 결합기의 $3\lambda/4$부분을 적극적으로 활용하기 위하여 태극 모양의 구조를 취했으며, 우수 기수 모드 해석법을 이용하여 완전정합과 분리 조건을 만족하는 각 지로의 어드미턴스를 구하였다. 그 결과 마이크로 스트립 라인으로 제작 가능한 저항의 범의 내에서 이미 발표된 연구 결과에서와 같은 크기의 회로 면적내에서도 훨씬 높은 전력 분배율(최대 28DB)을 실현할 수 잇음을 알았으며, CGP-502기판을 이용하영 중심 주파수 10GHz에서 0,8,16dB 전력 분배율을 갖는 태극형 방향성 결합기를 설계 제작하고 실험을 하여 이론의 타당성을 확인하였다.

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지구온난화에 따른 중부 한국 낙엽송의 형성층 생장 예측: 시뮬레이션 모델링 (Global Warming Effects on the Cambial Growth of Larix leptolepis in Central Korea : Predictions from Simulation Modeling)

  • Won-Kyu Park;Eugene Vaganov;Maria Arbatskaya;Jeong-Wook Seo;Je-Su Kim
    • 한국제4기학회지
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    • 제14권1호
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    • pp.57-63
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    • 2000
  • 월악산에 자라는 낙엽송의 연륜세포의 생장에 미치는 온난화의 영향을 시뮬레이션 모델로 예측하였다. 이 모델은 각 연륜의 세포(가도관) 폭 변이를 일 강수량과 기온으로 모사하는 수학식을 사용한다. 세포생장을 제한하는 조건을 기온, 일장, 그리고 계산된 수분수지로 추정한다. 이 모델을 적용한 결과 낙엽송의 계절생장에 가장 큰 영향을 주는 것은 4월과 5월의 토양수분조건과 강수량인 것으로 나타났다. 4~5월 기온 상승은 토양으로부터 수분 증발을 증가시켜 생장을 감소시켰다. 지구온난화(기온 $2^{\circ}C$ 상승)을 모델에 산정하였을 때 생장적기가 짧아졌고 전체 연륜 생장량을 25% 정도 감소시켰다.

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박태기나무의 잎으로부터 피부멜라닌 색소생성 억제성분의 분리 (The Isolation of the Inhibitory Constitutents on Melanin Polymer Formation from the Leaves of Cercis chinensis)

  • 김소영;김진준;장태수;정시련;이승호
    • 생약학회지
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    • 제30권4호
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    • pp.397-403
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    • 1999
  • Tyrosinase plays an important role in the process of melanin polymer biosynthesis. Therefore, the enzyme inhibitors have been of great concern as cosmetics to have skin-whitening effects on the local hyperpigmentation. During the search for new inhibitory compounds on melanin polymer biosynthesis from natural sources, MeOH extracts of 589 higher plants were tested for the inhibitory effect on tyrosinase activity by the muschroom tyrosinase assay in vitro. Among plants tested, the leaves of Cercis chinensis exhibited potent inhibitory effect on mushroom tyrosinase activity. Subsequently seven active compounds were isolated from the ethyl acetate soluble part of acetone extract of the leaves of C. chinensis by the activity guided fractionation monitoring the inhibitory effect on tyrosinase activity. Their chemical structures were identified as $kaempferol-3-0-{\alpha}-L-rhamnoside$, quercitrin, $myricetin-3-0-{\alpha}-L-rhamnoside$, myricetin-3-0-(2'-O-galloyl)- ${\alpha}$ -L-rhamopyranoside (desmanthin), (-)-epicatechin-3-0-gallate, (-)-epigallocatechin-3-0-gallate, and methyl gallate on the basis of the speculation of spectral data and chemical reaction. Among the flavonol rhamnosides, myricetin-3-0-(2'-O-galloyl)- -L-rhamnoside(desmanthin) showed most potent inhibitory effect on tyrosinase activity and the structure of B-ring in flavonol moiety was related to the activity. (-)-Epigallocatechin-3-O-gallate having pyrogallol group in flavan-3-ol moiety exhibited more potent inhibitory effect than (-)-epicatechin-3-0-gallate having catechol group in flavan-3-ol moiety on mushroom tyrosinase activity.

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Fucoidan Induces Apoptosis in A2058 Cells through ROS-exposed Activation of MAPKs Signaling Pathway

  • Ryu, Yea Seong;Hyun, Jin Won;Chung, Ha Sook
    • Natural Product Sciences
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    • 제26권3호
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    • pp.191-199
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    • 2020
  • Fucoidan, a natural component of brown seaweed, has various biological activities such as anti-cancer activity, anti-oxidant, and anti-inflammatory against various cancer cells. However, the fucoidan has been implicated in melanoma cells via apoptosis signaling pathway. Therefore, we investigated apoptosis with fucoidan in A2058 human melanoma cells with dose- and time-dependent manners. In our results, A2058 cells viability decreased at relatively short-time and low-concentration through fucoidan. This effects of fucoidan on A2058 cells appeared to be mediated by the induction of apoptosis, as manifested by morphological changes through DNA-binding dye Hoechst 33342 staining. When a dose of 80 ㎍/mL fucoidan was treated, the cells were observed: crescent or ring-like structure, chromatin condensation, and nuclear fragmentation. With the increase at 100 ㎍/mL fucoidan, the cell membrane is intact throughout the total process, including membrane blebbing and loss of membrane integrity as well as increase of sub-G1 DNA. Furthermore, to understand the exact mechanism of fucoidan-treated in A2058 cells, western blotting was performed to detect apoptosis-related protein expression. In this study, Bcl-2 family proteins can be regulated by fucoidan, suggesting that fucoidan-induced apoptosis is modulated by intrinsic pathway. Therefore, expression of Bcl-2 and Bax may result in altered permeability, activating caspase-3 and caspase-9. And the cleaved form of poly ADP-ribose polymerase was detected in fucoidan-treated A2058 cells. These results suggest that A2058 cells are highly sensitive to growth inhibition by fucoidan via apoptosis, as evidenced by activation of extracellular signal-regulated kinases/p38/Bcl-2 family signaling, as well as alteration in caspase-9 and caspase-3.