• Title/Summary/Keyword: Oxadiazole

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Computational Study of Energetic Salts Based on the Combination of Nitrogen-rich Heterocycles (질소가 풍부한 헤테로 고리화합물에 기초한 에너지 염의 고에너지 물질 성능에 대한 이론 연구)

  • Woo, Je-Hun;Seo, Hyun-Il;Kim, SeungJoon
    • Journal of the Korean Chemical Society
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    • v.66 no.3
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    • pp.185-193
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    • 2022
  • The theoretical investigation has been performed to predict thermodynamic stability, density, detonation velocity, and detonation pressure of energetic salts produced by pairing of nitrogen-rich anions (tetrazine, oxadiazole etc.) and cations (NH3OH+, NH2NH3+, CH9N6+, C2H6N5+). All possible geometries and the binding energy for the trigger bond of energetic salts have been optimized at the B3LYP/cc-pVDZ level of theory. The detonation velocity and detonation pressure have been calculated using Kamlet-Jacobs equation, while enthalpy has been predicted at the G2MP2 level of theory. The predicted results reveal that the energetic salts including small sized NH3OH+(1) and NH2NH3+(2) cations increase detonation property. And also the energetic salts including more amino group (-NH2) such as CH9N6+(3) cation increase thermodynamic stability. These results provide basic information for the development the high energy density materials (HEDMs).

Characteristics of OLED by co-evaporation methode (Co-evaporation methode에 의한 OLED의 발광 특성)

  • Lee, Jung-Tae;Na, Sun-Woong;Shin, Kyung;Lee, Young-Jong;Chung, Hong-Bay
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2002.07b
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    • pp.1046-1049
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    • 2002
  • In this study, We fabricated Organic Electroluminescence device, in order to improve the efficiency of Blue OLED in the full-color OLED. We made two sample. Sample A is that We used TPD(N,N‘-bis(3-methylphenyl)-N,N'-diphenylbenzidine} as hole transport layer(HTL), and Butyl-PBD(2-(4-Biphenylyl)-5-(4-tert-butylphenyl)-1,3,4-oxadiazole) as emitting material layer(EML) and Alq3(8-Hydroxyquinoline, aluminum} as electron transport layer(ETL). Sample B is that we used TPD(N, N'-bis(3-methylphenyl)-N,N'-diphenylbenzidine} as HTL and co-evaporated Butyl-PBD and Alq3 as EML. We investigated the characteristic of brightness and current-:voltage. The sample B that co-evaporated Butyl-PBD and Alq3 as EML improved characteristic of brightness and current-voltage than sample A. Maximum luminescence of sample B is $310cd/m^2$ and threshold voltage is 7V.

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All Non-Dopant RGB Composing White Organic Light-Emitting Diodes

  • Yeh, Shi-Jay;Chen, Hung-Yang;Wu, Min-Fei;Chan, Li-Hsin;Chiang, Chih-Long;Yeh, Hsiu-Chih;Chen, Chin-Ti;Lee, Jiun-Haw
    • 한국정보디스플레이학회:학술대회논문집
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    • 2006.08a
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    • pp.1583-1586
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    • 2006
  • All non-dopant white organic light-emitting diodes (WOLEDs) have been realized by using solid state highly fluorescent red bis(4-(N-(1- naphthyl)phenylamino)phenyl)fumaronitrile (NPAFN) and amorphous bipolar blue light-emitting 2-(4- diphenylamino)phenyl-5-(4-triphenylsilyl)phenyl- 1,3,4-oxadiazole (TPAOXD), together with well known green fluorophore tris(8- hydroxyquinolinato)aluminum $(Alq_3)$. The fabrication of multilayer WOLEDs did not involve the hard-tocontrol doping process. Two WOLEDs, Device I and II, different in layer thickness of $Alq_3$, 30 and 15 nm, respectively, emitted strong electroluminescence (EL) as intense as $25,000\;cd/m^2$. For practical solid state lighting application, EL intensity exceeding $1,000\;cd/m^2$ was achieved at current density of $18-19\;mA/cm^2$ or driving voltage of 6.5-8 V and the devices exhibited external quantum efficiency $({\eta}_{ext})$ of $2.6{\sim}2.9%$ corresponding to power efficiency $({\eta}_P)$ of $2.1{\sim}2.3\;lm/W$ at the required brightness.

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Study on the Mechanism of Vascular Relaxation of Ethanol Extract of Persicaria Perfoliata H. Gross (하백초 에탄올 추출물의 혈관이완 기전에 대한 연구)

  • Kim, Hye-Yoom;Choi, Byung-Sun;Choi, Eun-Hee;Cui, Hao-Zhen;Kang, Dae-Gill;Lee, Ho-Sub
    • Journal of Physiology & Pathology in Korean Medicine
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    • v.23 no.2
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    • pp.389-396
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    • 2009
  • The ethanol extract of Persicaria perfoliata (EPP) induced relaxation of the phenylephrine-precontracted aorta in a dose-dependent manner, which was abolished by removal of functional endothelium. Pretreatment of the aortic tissues with NG-nitro-L-arginine methyl ester (L-NAME) or 1H-[1,2,4}-oxadiazole-[4,3-${\alpha}$)-quinixalin-1-one (ODQ) inhibited the relaxation induced by EPP. However, EPP-induced relaxation was not blocked by pretreatment with indomethacine, glibenclamide, tetraethylammonium (TEA), atropine, or propranolol. Incubation of endothelium-intact thoracic aortic ring with EPP increased the production of cGMP, which was also blocked by pretreatment with L-NAME or ODQ. These results suggest that EPP dilates vascular smooth muscle via endothelium-dependent NO/cGMP signaling.

Synthesis of Pyrazole derivatives via cycloaddition of 3-phenyloxadiazole derivatives with dipolarophiles (Oxadiazole유도체의 고리화 첨가반응에 의한 Pyrazole유도체의 합성)

  • Lee, Ki-Chang;Hwang, Sung-Kwy;Lee, Kwang-Ill;Choi, Bong-Jong
    • Journal of the Korean Applied Science and Technology
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    • v.14 no.1
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    • pp.95-102
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    • 1997
  • The synthetic method of pyrazole was performed by 1,3-dipolar cycloaddition with dipolarophile instead of the reaction between diazomethane and acetylene. The cycloaddition mechanism and reactivity of 3-phenyloxadiazole derivatives with dipolarophiles was investigated. In order to investigate the mechanism and reactivity of this cycloaddition, the effect of substituents having various kinds of electron withdrawing or releasing groups were examinated. Considering the effect of substituents, an electron withdrawing group attached at the 4-carbon position in 3-phenyloxadiazole derivatives decrease the reaction rate because of the lack of electron density in oxadiazole ring. The reaction rate of 3-phenyloxadiazole derivatives with dipolarophiles were more conveniently measured using UV than using a volumetric analysis which was used before. From the result of this study, it was that the cycloaddition was found to be a first-order reaction depending upon the concentration of 3-phenyloxadiazole only.

Aqueous Extract of Rosa rugosa Radix Dilates Vascular Smooth Muscle Via a NO-cGMP Pathway

  • Lee, Jun-Kyoung;Li, Hua Cao;Kang, Dae-Gill;Lee, Hyuck;Jang, Ji-Yeon;Lee, Ho-Sub
    • Journal of Physiology & Pathology in Korean Medicine
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    • v.19 no.3
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    • pp.797-801
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    • 2005
  • While conducting an in vitro screening of various medicinal plant extracts, an aqueous extract of Rosa rugosa Radix (ARR) was found to exhibit a distinct vasorelaxant activity. ARR induced a concentration-dependent relaxation of the phenylephrine-precontracted aorta. This effect disappeared with the removal of functional endothelium. Pretreatment of the aortic tissues with NG-nitro-L-arginine methyl ester (L-NAME) or 1H-[1,2,4]-oxadiazole-[4,3-]-quinoxalin-1-one (ODQ) completely inhibited the relaxation induced by ARR. ARR-induced vascular relaxations were also markedly attenuated by addition of diltiazem or verapamil. However, the relaxant effect of ARR was not blocked by pretreatment with indomethacine, tetraethylammonium (TEA), glibenclamide, atropine, or propranolol. Taken together, the present study suggests that ARR dilates vascular smooth muscle via endothelium-dependent NO/cGMP signaling.

Study on The lonzation Potential, Electron Affinity and Electrochemical Property of PBO and PVK using Cyclic Voltammetry and Constant Current Potentiometry (순환전압전류법과 일정전류전위차법을 이용한 PBD와 PVK의 이온화에너지, 전자친화도 및 전기화학적 특성에 관한 연구)

  • 형경우;최돈수
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
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    • v.16 no.12S
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    • pp.1273-1277
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    • 2003
  • The effects of molecular structure on the redox properties are explored by the cyclic voltammetry, constant current potentiometry and spectroscopy using the thin films of organic electroluminescence materials of Poly(N-vinylcarbazole); PVK and 2- (4'-tert-butylphenyl) -5-(4"-bisphenyl) -1,3,4-oxadiazole; PBD. The UV/visible absorption maxima and band gap (E$\_$g/) show at 310nm (4.00eV) and 368nm (3.37eV) for FBD, 344nm (3.60eV) and 356nm (3.48eV) for PVK, respectively. The measured electrochemical ionization potential (IP) and electron affinity (EA) of these materials we 5.87 and 2.82eV for PBD, 5.80 and 3.17eV for PVK, respectively. The electrical band gaps are 3.05eV for PBD and 2.78eV for PVK, respectively. The electrical hole gap and electron gap with respect to the first rising potentials and the inflection potentials are obtained to be 0.39V and 0.41V for PBD, 0.25V and 0.28V for FVK, respectively.

Synthesis and Biological Evaluation of Novel Benzimidazole Derivatives Bearing a Heterocyclic Ring at 4/5 Position

  • Wubulikasimu, Reyila;Yang, Yanbing;Xue, Fei;Luo, Xianjin;Shao, Dongping;Li, Yuhuan;Gao, Rongmei;Ye, Weidong
    • Bulletin of the Korean Chemical Society
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    • v.34 no.8
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    • pp.2297-2304
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    • 2013
  • A series of novel benzimidazole derivatives bearing a heterocyclic ring as oxadiazole (21-32), thiadiazole (33-34), triazole (35-36) were synthesized and evaluated for their activities against Coxsackie virus B3 and B6 in Vero cells. Compounds 21-26, 31-36 with moieties of 2'-pyridyl, 3'-pyridyl and 4'-pyridyl at the 2-position and oxadiazoles, thiadiazole, or triazole substituent at the 4- or 5-position generally displayed activities against CVB3 and CVB6. Especially compound 24 ($IC_{50}=1.08{\mu}g/mL$, SI = 61.7 against CVB3) was the promising candidate as lead compound for anti-enteroviral drug. It was observed in the incorporation of heterocyclic rings in benzimidazole at the 5-position could enhance their biological activities.

Organic Light Emitting Diodes (OLED) with Electrostatic spray deposition (ESD)

  • Hwang, Won-Tae;Kim, Nam-Hun;Xin, Guoqing;Jang, Hae-Gyu;Chae, Hee-Yeop
    • Proceedings of the Korean Vacuum Society Conference
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    • 2010.02a
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    • pp.432-432
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    • 2010
  • Organic light emitting diodes (OLED) thin films were fabricated by Electrostatic spray deposition (ESD). In this study, we reported the thickness, morphology, current efficiency, luminescence of OLED fabricated by ESD. These results were compared with the spin coating method, and showed that also ESD is a good fabrication method for OLED because of its characteristics similar with the results using spin coating. The active layer consists of organic blends with Poly(N-vinylcarbazole) (PVK), 2-(4-Biphenyl)-5-(4-tert-butylphenyl)-1,3,4-oxadiazole (PBD), N,N'-Bis(3-methylphenyl) -N,N'-bis(phenyl)-benzidine (TPD), Tris(2-phenylpyridine)iridium(III) (Ir(ppy)3), and the structure of OLED consists of aluminum (Al), lithium fluoride (LiF), organic blends, PEDOT:PSS and Indium-tin-oxide (ITO), which was used as the top cathode, cathode interfacial layer, emitting layer and bottom anode, respectively. The results suggest that Electrostatic spray deposition is a promising method for the next generation of OLED fabrication since it has a probability fabricating large-area thin films.

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Buffer Effect of Copper Phthalocyanine(CuPC) (카퍼 프탈로시아닌의 완충효과)

  • Kim, Jung-Hyun;Shin, Dong-Muyng;Shon, Byoung-Choung
    • Journal of the Korean Applied Science and Technology
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    • v.16 no.4
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    • pp.307-311
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    • 1999
  • Interfacial properties of electrode and organic thin layer is one of the most important factor in performing a Light Emitting Diodes(LED). Phthalocyanine copper was used as a buffer layer to improve interface characteristic, so that device efficiency was improved. In this study, LEDs were fabricated as like structures of Indium-Tin-Oxide (ITO) / N,N' -Diphenyl-N,N'-di(m-tolyl)-benzidine (TPD) / 8-Hydroxyquinoline aluminum(Alq) / Aluminum(Al) and Indium-Tin-Oxide(ITO) / N,N'-Diphenyl-N,N' -di(m-tolyl)-benzidine(TPD) / 2-(4-Biphenylyl)-5(4-tert-butyl-phenyl)-1,3,4-oxadiazole(PBD) / Aluminum(Al). In these devices, CuPC was layered at electrode/organic layer interface. As position is changing and thickness is changing, devices showed characteristic luminescence efficiency and luminescence inensity respectively. We showed in this study that luminescence efficiency was improved with CuPC layer in LEDs. The efficiency of device with layer CuPC is higher than that of 2 layer CuPC. However, the luminescence of 2 layer CuPC device got higher value.