Targeting the aryl hydrocarbon receptor with a novel set of triarylmethanes.

The aryl hydrocarbon receptor (AhR) is a chemical sensor upregulating the transcription of responsive genes associated with endocrine homeostasis, oxidative balance and diverse metabolic, immunological and inflammatory processes, which have raised the pharmacological interest on its modulation. Herein, a novel set of 32 unsymmetrical triarylmethane (TAM) class of structures has been synthesized, characterized and their AhR transcriptional activity evaluated using a cell-based assay. Eight of the assayed TAM compounds (14, 15, 18, 19, 21, 22, 25, 28) exhibited AhR agonism but none of them showed antagonist effects. TAMs bearing benzotrifluoride, naphthol or heteroaromatic (indole, quinoline or thiophene) rings seem to be prone to AhR activation unlike phenyl substituted or benzotriazole derivatives. A molecular docking analysis with the AhR ligand binding domain (LBD) showed similarities in the binding mode and in the interactions of the most potent TAM identified 4-(pyridin-2-yl (thiophen-2-yl)methyl)phenol (22) compared to the endogenous AhR agonist 5,11-dihydroindolo[3,2-b]carbazole-12-carbaldehyde (FICZ). Finally, in silico predictions of physicochemical and biopharmaceutical properties for the most potent agonistic compounds were performed and these exhibited acceptable druglikeness and good ADME profiles. To our knowledge, this is the first study assessing the AhR modulatory effects of unsymmetrical TAM class of compounds.

Highly efficient MoOx-free semitransparent perovskite cell for 4 T tandem application improving the efficiency of commercially-available Al-BSF silicon.

In this work, the fabrication of MoOx-free semitransparent perovskite solar cells (PSC) with Power Conversion Efficiencies (PCE) up to 15.7% is reported. Firstly, opaque PSCs up to 19.7% were fabricated. Then, the rear metal contact was replaced by a highly transparent and conductive indium tin oxide (ITO) film, directly sputtered onto the hole selective layer, without any protective layer between Spiro-OMeTAD and rear ITO. To the best of our knowledge, this corresponds to the most efficient buffer layer-free semitransparent PSC ever reported. Using time-resolved photoluminescence (TRPL) technique on both sides of the semitransparent PSC, Spiro-OMeTAD/perovskite and perovskite/TiO2 interfaces were compared, confirming the great quality of Spiro-OMeTAD/perovskite interface, even after damage-less ITO sputtering, where degradation phenomena result less important than for perovskite/TiO2 one. Finally, a 4-terminal tandem was built combining semitransparent PSC with a commercially-available Aluminium Back Surface Field (Al-BSF) silicon wafer. That silicon wafer presents PCE = 19.52% (18.53% after being reduced to cell size), and 5.75% once filtered, to generate an overall 4 T tandem efficiency of 21.18% in combination with our champion large semitransparent PSC of 15.43%. It means an absolute increase of 1.66% over the original silicon wafer efficiency and a 2.65% over the cut Si cell.