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1.
Nat Commun ; 15(1): 2977, 2024 Apr 06.
Artigo em Inglês | MEDLINE | ID: mdl-38582788

RESUMO

In blue phosphorescent dopants, the tetradentate platinum(II) complex is a promising material showing high efficiency and stability in devices. However, metal-metal-to-ligand charge transfer (MMLCT) formation leads to low photo-luminescence quantum yields (PLQYs), wide spectra, and intermolecular interaction. To suppress MMLCT, PtON-tb-TTB and PtON-tb-DTB are designed using theoretical simulation by modifying t-butyl in PtON-TBBI. Both materials effectively suppress MMLCT and exhibit high PLQYs of 99% and 78% in 5 wt% doped film, respectively. The PtON-tb-TTB and PtON-tb-DTB devices have maximum external quantum efficiencies of 26.3% and 20.9%, respectively. Additionally, the PtON-tb-DTB device has an extended lifetime of 169.3 h with an initial luminescence of 1200 nit, which is 8.5 times greater than the PtON-TBBI device. Extended lifetime because of suppressed MMLCT and smaller displacement between the lowest triplet and triplet metal-centered states compared to other dopants. The study provides an effective approach to designing platinum(II) complexes for long device lifetimes.

2.
Pathogens ; 12(1)2022 Dec 20.
Artigo em Inglês | MEDLINE | ID: mdl-36678349

RESUMO

Spot blotch is a highly destructive disease in wheat caused by the fungal pathogen Bipolaris sorokiniana (teleomorph, Cochliobolus sativus). It is prevalent in warm and humid areas, including Africa, Asia, Latin America, and the USA. In the present study, twelve isolates of B. sorokiniana were collected from wheat fields in three different geographical locations in India. The pathogenicity of seven sporulating isolates was assessed on 'DDK 1025', a spot blotch-susceptible wheat variety under greenhouse conditions. The isolate 'D2' illustrated the highest virulence, followed by 'SI' and 'BS52'. These three isolates were sequenced using the Illumina HiSeq1000 platform. The estimated genome sizes of the isolates BS52, D2, and SI were 35.19 MB, 39.32 MB, and 32.76 MB, with GC contents of 48.48%, 50.43%, and 49.42%, respectively. The numbers of pathogenicity genes identified in BS52, D2, and SI isolates were 2015, 2476, and 2018, respectively. Notably, the isolate D2 exhibited a relatively larger genome with expanded arsenals of Biosynthetic Gene Clusters (BGCs), CAZymes, secretome, and pathogenicity genes, which could have contributed to its higher virulence among the tested isolates. This study provides the first comparative genome analysis of the Indian isolates of B. sorokiniana using whole genome sequencing.

3.
Spectrochim Acta A Mol Biomol Spectrosc ; 224: 117421, 2020 Jan 05.
Artigo em Inglês | MEDLINE | ID: mdl-31377685

RESUMO

Novel Donor (D)-π-Acceptor (A) NLOphoric triphenylamine-imidazole based dye 9 was designed, synthesized, and confirmed by Mass, 13C NMR, and 1H NMR analysis. Photophysical properties of 9 were studied in solvents of different polarities and compared with analogues compounds 7 and 8. Phenonthroline acceptor based dye 9 shows highly bathochromic shifted absorption and emission compared to dyes 7 and 8. Positive solvatochromism was noticed in 7, 8, and 9 which was supported by the linear (i.e. Lippert-Mataga and Mac-Rae polarity functions) and multi-linear (i.e. Kamlet-Taft and Catalan parameters) analysis. Moreover, solvent polarizability (dSP) and solvent dipolarity (CSdP) are the major factors responsible for red shift in absorption as well as in emission spectra. Charge transfer descriptors as well as the polarity graphs are in good relation with Generalized Mulliken-Hush (GMH) parameters. NLO properties of 7, 8, and 9 were studied by using solvatochromic and computational methods. The static first hyperpolarizability (ß0) and relevant microscopic parameters (µ,α0,α,ß,γ) were determined using DFT with B3LYP, BHHLYP, and CAM-B3LYP functionals. Third-order NLO properties of nitrogen containing phenanthroline based compound 9 were observed to be several times higher than those of the compounds 7 and 8, justify the design approach.

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