23857-13-8Relevant articles and documents
Highly efficient deep-blue OLEDs with CIE closely approaches Rec.2020 standard based on an acridine?naphthalene hybrid fluorophore
Hu, Dehua,Li, Jingwei,Liu, Xinyong,Qiu, Xu,Xu, Lei,Ye, Xiyun,Zhai, Wenxin
, (2021/12/30)
9,9-Dimethyl-9,10-dihydroacridine (DMAC) and naphthalene are fused to produce a chromophore 12,12-Dimethyl-7,12-dihydrobenzo[a] acridine (DMBA). Based on DMBA, two emitters, 12,12-dimethyl-7-phenyl-7,12-dihydrobenzo[a]acridine (BACH) and 3-fluoro-12,12-dimethyl-7-phenyl-7,12-dihydrobenzo[a]acridine (BACF), were designed and synthesized. Thanks to the planar structure and weak electron donating ability of DMBA, these two emitters exhibit deep-blue emissions with photoluminescence (PL) spectra peaks (λPLs) of 402–422 nm in solutions and doped films. The non-doped devices based on BACH and BACF present excellent deep-blue electroluminescence (EL) emission with spectra peaks (λELs) of 428 and 427 nm, maximum external quantum efficiencies (EQEs) of 6.09% and 5.99%, respectively. Notably, the CIE coordinates of these non-doped devices closely approach the Rec.2020 standard (0.131, 0.046).
Synthesis, Structure and Properties of Fused π-Extended Acridone Derivatives
Gao, Hongshuai,Zhang, Gang
supporting information, (2020/08/26)
Benzene- and naphthalene-fused acridone derivatives with hexyl and phenyl groups at the amino position were synthesized and their properties were investigated experimentally and computationally. All the structures of these fused π-extended acridone derivatives were unambiguously confirmed by single-crystal X-ray analysis, which revealed the presence of face-to-face π–π stackings along the acridone moiety and the intermolecular hydrogen bond-directed molecular packings of the phenyl-substituted acridone derivatives in the crystals. Moreover, the dimerization of linearly fused acridone derivative was observed after storing the crystals over months. The benzene ring at the turning point of the angularly fused acridone derivatives contained relatively longer and shorter C–C bonds, which affected the molecular conjugation, as confirmed by the results of photophysical characterization and the study of the aromaticity. Mobility calculations based on the molecular packings in the single crystals showed that the linearly fused acridone derivatives bearing better electron and hole mobilities are good candidates of organic functional materials.
Rational design of agonists for bitter taste receptor TAS2R14: from modeling to bench and back
Di Pizio, Antonella,Waterloo, Lukas A. W.,Brox, Regine,L?ber, Stefan,Weikert, Dorothee,Behrens, Maik,Gmeiner, Peter,Niv, Masha Y.
, p. 531 - 542 (2019/07/03)
Human bitter taste receptors (TAS2Rs) are a subfamily of 25 G protein-coupled receptors that mediate bitter taste perception. TAS2R14 is the most broadly tuned bitter taste receptor, recognizing a range of chemically diverse agonists with micromolar-range potency. The receptor is expressed in several extra-oral tissues and is suggested to have physiological roles related to innate immune responses, male fertility, and cancer. Higher potency ligands are needed to investigate TAS2R14 function and to modulate it for future clinical applications. Here, a structure-based modeling approach is described for the design of TAS2R14 agonists beginning from flufenamic acid, an approved non-steroidal anti-inflammatory analgesic that activates TAS2R14 at sub-micromolar concentrations. Structure-based molecular modeling was integrated with experimental data to design new TAS2R14 agonists. Subsequent chemical synthesis and in vitro profiling resulted in new TAS2R14 agonists with improved potency compared to the lead. The integrated approach provides a validated and refined structural model of ligand–TAS2R14 interactions and a general framework for structure-based discovery in the absence of closely related experimental structures.
