Immunohistochemical characteristics of thyroid-like low-grade nasopharyngeal papillary adenocarcinoma: A case report and review.

Background: Thyroid-like low-grade nasopharyngeal papillary adenocarcinoma (TL-LGNPPA) is a rare nasopharyngeal malignant tumor that is easy to misdiagnose. Immunohistochemistry plays an indispensable role in distinguishing TL-LGNPPA from other malignancies. However, there is no article to summarize the immunohistochemical characteristics of TL-LGNPPA.

A theoretical study on supramolecularly-caged positively charged iridium(III) 2-pyridyl azolate derivatives as blue emitters for light-emitting electrochemical cells.

The photophysical and optical properties of a series of charged biscyclometalated [Ir(ppy(n))2(N^N(n))](+) complexes have been investigated with density functional theory, where ppy(0) = 2-phenylpyridine; ppy(1) = 2-(2,4-difluorophenyl)pyridine; N^N = 2-(1-phenyl-1H-pyrazol-3-yl)pyridine (1a, 1b); 2-(4-phenyl-1H-imidazol-2-yl)pyridine (2a, 2b); 2-(1,4-diphenyl-1H-imidazol-2-yl)pyridine (3a, 3b); 2-(2-phenyl-2H-1,2,3-triazol-4-yl)pyridine (4a, 4b); 2-(1-phenyl-1H-1,2,4-triazol-3-yl)pyridine (5a, 5b); 2-(3-(pyridin-2-yl)-1H-1,2,4-triazol-1-yl)pyridine (6a, 6b); 2-(1H-pyrazol-1-yl)pyridine (7a, 7b), respectively. The calculated results reveal that both the difluoro-substituent and the different 2-pyridyl azolate ancillary ligands have a large influence on tuning the emission energies and quantum yields of the studied complexes. On the basis of the results reported herein, we attempt to explain the experimental observation that the complexes 7a and 7b show high quantum phosphorescence efficiency (Φ(PL)) of 23% and 20% compared with 1a with Φ(PL) of 3%.

A DFT/TDDFT study on the effect of CN substitution on color tuning and phosphorescence efficiency of a series of Ir(III) complexes with phosphine-silanolate ligands.

A DFT/TDDFT investigation was performed on the electronic structures, absorption and emission spectra, as well as the phosphorescence efficiency of [(ppy)2Ir(P^SiO)] (1) and the derivatives (1a, 1b, 1c and 1d) with CN-substitution at different positions in ppy ligands, as well as [(dfppy)2Ir(P^SiO)] (2) [where ppy = 2-phenylpyridine, dfppy = 2-(2,4-difluorophenyl)pyridine and (P^SiO) is an organosilanolate ancillary chelate]. The calculated results reveal that the introduction of CN leads to a significant red shift for 1a-1d in absorption spectra compared with that of 1. Moreover, the CN substitution at different positions on C^N ligands may be an efficient approach towards tuning emitting color.

Theoretical study on the effect of N-substitution on the electronic structures and photophysical properties of phosphorescent Ir(III) complexes.

DFT/TDDFT calculations were carried out to investigate the electronic structures, absorption and emission spectra, and phosphorescence efficiency of recent synthesized Ir(III) complexes [Ir(tfmppy)2(tpip)] (1), [Ir(dfppy)2(tpip)] (2) (tfmppy = 4-trifluoromethylphenylpyridine; dfppy = 4,6-difluorophenylpyridine; tpip = tetraphenylimidodiphosphinate). The calculated absorption and emission wavelengths are in agreement with experimental data. The electron transition properties have been analyzed.

Shedding light on unusual photophysical properties of bis-cyclometalated iridium(III) complexes containing 2,5-diaryl-1,3,4-oxadiazole-based and acetylacetonate ligands.

A DFT/TDDFT investigation was conducted on a series of cyclometalated iridium(iii) complexes with 2,5-diaryl-1,3,4-oxadiazole (oxd(n)) derivatives to shed light on the effects of the stereoisomeric and steric factors on the photophysical properties. On the basis of the results reported herein, we attempt to explain the experimental observations according to which complexes N,N-trans [Ir(oxd(0))(2)(acac)] (1a) and N,N-trans [Ir(oxd(1))(2)(acac)] (2a) [with oxd(0) = 2,5-diphenyl-1,3,4-oxadiazole, oxd(1) = 2,5-bis(4-fluorophenyl)-1,3,4-oxadiazole and acac = acetylacetonate] show high quantum phosphorescence efficiencies (Φ(PL)) of 35 and 44%, while an extremely low Φ(PL) (<1%) was observed for a number of oxd(n) based complexes including N,N-cis [Ir(oxd(3))(2)(acac)] (4b) [with oxd(3) = 2-(4-fluorophenyl)-5-(2,4,6-triisopropylphenyl)-1,3,4-oxadiazole]. While new insights were gained on structural and electronic properties, the unusual photophysical properties recently reported for 4b were found to be not inherent to spin-orbit coupling (SOC) effects, but determined by both the S(1)-T(1) splitting energy (ΔE(S1-T1)) and the transition dipole moment (μ(S1)) upon the S(0)→ S(1) transition.

Polymorph of 4-(carbazol-9-yl)benzo-nitrile.

The asymmetric unit of the title compound, C(19)H(12)N(2), contains two independent mol-ecules with a similar structure. In the two mol-ecules, the dihedral angles between the carbazole ring system and the benzene ring are 47.9 (5) and 45.

Theoretical study on the influence of ancillary and cyclometalated ligands on the electronic structures and optoelectronic properties of heteroleptic iridium(III) complexes.

We report a theoretical analysis of a series of heteroleptic iridium(III) complexes (dox)(2)Ir(acac) [dox = 2,5-diphenyl-1,3,4-oxadiazolato-N,C(2), acac = acetylacetonate] (1a), (fox)(2)Ir(acac) [fox = 2,5-bis(4-fluorophenyl)-1,3,4-oxadiazolato-N,C(2)] (1b), (fox)(2)Ir(Et(2)dtc) [Et(2)dtc = N,N'-diethyldithiocarbamate] (2), (fox)(2)Ir(Et(2)dtp) [Et(2)dtp = O,O'-diethyldithiophosphate] (3), (pypz)(2)Ir(acac) [pypz = 3,5-di(2-pyridyl)pyrazole] (4a), (O-pypz)(2)Ir(acac) (4b), (S-pypz)(2)Ir(acac) (4c) and (bptz)(2)Ir(acac) [bptz = 3-tert-butyl-5-(2-pyridyl)triazole] (5) by using the density functional theory (DFT) method to investigate their electronic structures and photophysical properties and obtain further insights into the phosphorescent efficiency mechanism. Meanwhile, we also investigate the influence of ancillary and cyclometalated ligands on the properties of the above complexes. The results reveal that the nature of the ancillary ligands can influence the electron density distributions of frontier molecular orbitals and their energies, resulting in change in transition character and emission color, while the different cyclometalated ligands have a large impact on the charge transfer performances of the studied complexes.