- The effect of frontier orbital distribution of the core structure on the photophysics and device performances of thermally activated delayed fluorescence emitters
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The effect of the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) distribution of the core structure on the thermally activated delayed fluorescence (TADF) behavior of the TADF emitters was investigated. Dibenzofuran was used as the core structure of the TADF materials, and its 2 and 3 positions were substituted with a donor and an acceptor. Two TADF emitters with the donor and acceptor positions exchanged with each other were synthesized and suggested that the substitution of the donor at the LUMO dominant position and the acceptor at the HOMO dominant position is beneficial to improve the efficiency of the TADF OLEDs. It was described that the substitution positions of the donor and acceptor to the core structure should be managed to increase the quantum efficiency of the TADF devices by enlarged orbital overlap.
- Jung, Mina,Lee, Kyung Hyung,Hong, Wan Pyo,Lee, Jun Yeob
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Read Online
- Highly efficient and color tunable thermally activated delayed fluorescent emitters using a "twin emitter" molecular design
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High efficiency and color tuning of thermally activated delayed fluorescent emitters were achieved at the same time by designing emitters with a twin emitter molecular design. The control of the interconnect position between two emitters could manage the
- Kim, Mounggon,Jeon, Sang Kyu,Hwang, Seok-Ho,Lee, Sang-Shin,Yu, Eunsun,Lee, Jun Yeob
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p. 339 - 342
(2016/01/09)
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- Heteroleptic Ir(III) phosphors with bis-tridentate chelating architecture for high efficiency OLEDs
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A bis-tridentate iridium complex represented by a formula (I): where R3 to R8, R21 to R23, R9, R10, X1, X2, and X3 are as defined in the specification.
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Page/Page column 10; 11
(2016/01/09)
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- 4,6-DIARYLAMINOTHIAZINES AS BACE1 INHIBITORS AND THEIR USE FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION
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Compounds of formula (I), including pharmaceutically acceptable salts thereof, are set forth herein: (I) wherein R1 and R2 are independently hydrogen, or -CH3; or R1 and R2 can join together in a ring by adding -(CH2)4-; R3 is hydrogen or C1-C3 al-kyl; Y and Z are independently a C6-C10- aryl group or a 5-10 membered heterocyclic group which can be further substituted with from 0-3 substituents selected from the group of halogen, hydroxy, amino, C1-4 alkylamino, C1-4 dialkylamino, halo C1-4 alkyl, CN, C1-C6, alkyl or cycloalkyl, C1-C6 alkoxy, -C=OC1-4 alkyl, -SO2C1-4 alkyl, and C2-C4 alkynyl; A is selected from the group of phenyl, ben-zyl, oxazolyl, thiazolyl, isoxazolyl, imidazolyl, pyrazolyl, pyridyl, pyrimidinyl, and pyrazinyl groups which can be further substituted with from 0-3 substituents selected from the group of halogen, hydroxy, amino, C1-4 alkylamino, C1-4 dialkylamino, haloC1-4 alkyl, hydroxyC1-6 alkyl, CN, C1-C6 alkyl or cycloalkyl, C1-C6 alkoxy, and C2-C4 alkynyl; L is -NHCO-, or is a single bond; and L and Z to-gether can be absent
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Page/Page column 26; 27
(2014/07/08)
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- COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION
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Compounds of formula (I), including pharmaceutically acceptable salts thereof, are set forth herein: wherein R1, R2, R3, R4, R5, and R6 are independently hydrogen, C1-C6 alkyl or C1-C6 cycloalkyl; Y and Z are independently a C6-C10- aryl group or a 5-10 membered heterocyclic group, wherein each Y and Z group can be optionally substituted with from 0-3 substituents selected from halogen, amino, C1-4alkylamino, C1-4dialkylamino, haloC1-4 alkyl, OH, CN, C1-C6 alkyl or cycloalkyl, C1-C6 alkoxy, and C2-C4 alkynyl; L is either a bond or is -NHCO-; L and Z together can be absent; and m is 1, 2 or 3.
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Page/Page column 38
(2012/12/13)
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- Luminescent iridium(III) complexes with N^C^N- coordinated terdentate ligands: Dual tuning of the emission energy and application to organic light-emitting devices
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A family of complexes (1a-3a and 1b-3b) was prepared, having the structure Ir(N^C^N)(N^C)Cl. Here, N^C ^N represents a terdentate, cyclometallating ligand derived from 1,3-di(2-pyridyl)benzene incorporating CH3 (1a,b), F (2a,b), or CF3 (3a,b) substituents at the 4 and 6 positions of the benzene ring, and N^C is 2-phenylpyridine (series a) or 2-(2,4-difluorophenyl) pyridine (series b). The complexes are formed using a stepwise procedure that relies on the initial introduction of the terdentate ligand to form a dichloro-bridged iridium dimer, followed by cleavage with the N^C ligand. 1H NMR spectroscopy reveals that the isomer that is exclusively formed in each case is that in which the pyridyl ring of the N ^C ligand is trans to the cyclometallating aryl ring of the N ^C^N ligand. This conclusion is unequivocally confirmed by X-ray diffraction analysis for two of the complexes (1b and 3a). All of the complexes are highly luminescent in degassed solution at room temperature, emitting in the green (1a,b), blue-green (2a,b), and orange-red (3a,b) regions. The bidentate ligand offers independent fine-tuning of the emission energy: for each pair, the "b" complex is blue-shifted relative to the analogous "a" complex. These trends in the excited-state energies are rationalized in terms of the relative magnitudes of the effects of the substituents on the highest occupied and lowest unoccupied orbitals, convincingly supported by time-dependent density functional theory (TD-DFT) calculations. Luminescence quantum yields are high, up to 0.7 in solution and close to unity in a PMMA matrix for the green-emitting complexes. Organic light emitting devices (OLEDs) employing this family of complexes as phosphorescent emitters have been prepared. They display high efficiencies, at least comparable, and in some cases superior, to similar devices using the well-known tris-bidentate complexes such as fac-Ir(ppy)3. The combination of terdentate and bidentate ligands is seen to offer a versatile approach to tuning of the photophysical properties of iridium-based emitters for such applications.
- Brulatti, Pierpaolo,Gildea, Richard J.,Howard, Judith A. K.,Fattori, Valeria,Cocchi, Massimo,Williams, J. A. Gareth
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experimental part
p. 3813 - 3826
(2012/04/23)
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- BACE INHIBITORS
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The present invention provides BACE inhibitors of Formula I: methods for their use, intermediates, and methods for their preparation.
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Page/Page column 12
(2011/02/15)
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- METAL COMPLEX COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME
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Provided are an organic electroluminescence device whose wavelength of light emission is short and which can emit blue light having a high color purity, and a metal complex compound for realizing the device. The metal complex compound is of a specific str
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(2008/12/08)
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- PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME
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The present invention provides a novel compound having an excellent JNK inhibitory effect. That is, it provides a compound represented by the following formula, a salt thereof or a hydrate of them. Wherein R1 designates -(CO)h-(NRa)j-(CRb=CRc)k-Ar (wherein Ra, Rb and Rc each independently designate a hydrogen atom, a halogen atom, hydroxyl group, an optionally substituted C1-6 alkyl group or the like; Cy designates a 5- or 6-membered heteroaryl; and V each independently designate the formula -L-X-Y (wherein L designates a single bond, an optionally substituted C1-6 alkylene group or the like; X designates a single bond or the formula -A- (wherein A designates NR2, O, CO, S, SO or SO2) and so on; and Y designates a hydrogen atom, a halogen atom, nitro group or the like).
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Page/Page column 84
(2008/06/13)
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- Azo Group-Assisted Nucleophilic Aromatic Substitutions in Haloarene Derivatives: Preparation of Substituted 1-Iodo-2,6-bispropylthiobenzenes
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Aryldiazo substituents were usfed in nucleophilic aromatic substitution reactions of halogens. The Ph-N=N- group activates ortho fluorine atoms toward alkylthiolation under mild conditions. In contrast, the Me2N-C6H4-N=N- group has virtually no activation effect in nucleophilic aromatic substitution, and serves as a "neutral" mask for the amino group. The Ph-N=N- group was efficiently introduced by diazo coupling of aryllithium with dry PhN2(1+)BF4(1-) salt.
- Jason, T. Manka,McKenzie, Virginia C.,Kaszynski, Piotr
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p. 1967 - 1971
(2007/10/03)
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- NOVEL 1H-INDAZOLE COMPOUND
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The present invention provides a novel 1H-indazole compound having an excellent JNK inhibitory action. More specifically, it provides a compound represented by the following formula, a salt thereof or a hydrate of them. Wherein R1 is a C6-C14 aromatic cyclic hydrocarbon group etc.; R2, R4 and R5 each independently represent a hydrogen atom, a halogen atom, a cyano group etc.; L is a single bond, or a C1-C6 alkylene group etc.; X is a single bond, or a group represented by -CO-NH- or -NH-CO-, etc.; and Y is a C3-C8 cycloalkyl group, a C6-C14 aromatic cyclic hydrocarbon group or a 5- to 14-membered aromatic heterocyclic group etc.
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- Synthesis and thiolation of 1,3-difluoro-2,4,6-trihaloanilines and benzenes
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Three pentahaloanilines were prepared by stepwise halogenation of 3,5-difluoroaniline and were deaminated to form pentahalobenzenes. Alternatively, two pentahalobenzenes were obtained by lithiation followed by iodination of 1,3-difluoro-4,6-dihalobenzenes
- Manka, Jason T.,Kaszynski, Piotr
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- Synthesis of 1-(2-deoxy-β-D-ribofuranosyl)-2,4-difluoro-5- substituted-benzene thymidine mimics, some related α-anomers, and their evaluation as antiviral and anticancer agents
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A group of unnatural 1-(2-deoxy-β-D-ribofuranosyl)-2.4-difluorobenzenes having a variety of C-5 substituents (H, Me, F, Cl, Br, I, CF3, CN, NO2, NH2), designed as thymidine mimics, were synthesized for evaluation as anticancer and antiviral agents. The coupling reaction of 3,5-bis-O-(p-chlorobenzoyl) 2-deoxy-α-D-ribofuranosyl chloride with an organocadmium reagent [(2,4-difluorophenyl)2Cd] afforded a mixture of the α- and β-anomeric products (α:β = 3:1 to 10:1 ratio). Treatment of the α-anomer with BF3·Et2O in nitroethane at 110-120°C for 30 min was developed as an efficient method for epimerization of the major α-anomer to the desired β-anomer. The 5-substituted (H, Me, Cl, I, NH2) β-anomers exhibited negligible cytotoxicity in a MTT assay (CC50 = 10-3-10-4 M range), relative to thymidine (CC50 = 10-3-10-5 M range), against a variety of cancer cell lines. In contrast, the 5-NO2 derivative was more cytotoxic (CC50 = 10-5-10-6 M range). A number of 5-substituted β-anomers, and some related α-anomers, that were evaluated using a wide variety of antiviral assay systems [HSV-1, HSV-2, varicella-zoster virus (VZV), vaccinia virus, vesicular stomatitis, cytomegalovirus (CMV) and human immunodeficiency (HIV-1, HIV-2) viruses], showed that this class of unnatural C-aryl nucleoside mimics are inactive antiviral agents.
- Wang,Duan,Wiebe,Balzarini,De Clercq,Knaus
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