Macrocyclic Bridgehead Fluorophores, Pyrrolyl-diazabicyclo[8.3.1]tetradecadienones, with Giant Stokes Shifts.

A previously unknown class of fluorophores was discovered, which represents 14-membered bridgehead heterocycles, pyrrolyl-diazabicyclo[8.3.1]tetradecadienones, herein referred to as PY-14-ONEs.

Contributing to Biochemistry and Optoelectronics: Pyrrolo[1',2':2,3]imidazo[1,5-]indoles and Cyclohepta[4,5]pyrrolo[1,2-]pyrrolo[1,2-]imidazoles via [3+2] Annulation of Acylethynylcycloalka[]pyrroles with Δ-Pyrrolines.

Available pyrrolylalkynones with tetrahydroindolyl, cycloalkanopyrrolyl, and dihydrobenzo[]indolyl moieties, acylethynylcycloalka[]pyrroles, are readily annulated with Δ-pyrrolines (MeCN/THF, 70 °C, 8 h) to afford a series of novel pyrrolo[1',2':2,3]imidazo[1,5-]indoles and cyclohepta[4,5]pyrrolo[1,2-]pyrrolo[1,2-]imidazoles functionalized with an acylethenyl group in up to an 81% yield. This original synthetic approach contributes to the arsenal of chemical methods promoting drug discovery. Photophysical studies show that some of the synthesized compounds, e.

Application of -CF-Fluorophore BODIPY with Phenyl and Pyrazolyl Substituents for Lifetime Visualization of Lysosomes.

A bright far-red emitting unsymmetrical -CF-BODIPY fluorescent dye with phenyl and pyrazolyl substituents was synthesized by condensation of trifluoropyrrolylethanol with pyrazolyl-pyrrole, with subsequent oxidation and complexation of the formed dipyrromethane. This BODIPY dye exhibits optical absorption at λ ≈ 610-620 nm and emission at λ ≈ 640-650 nm. The BODIPY was studied on Ehrlich carcinoma cells as a lysosome-specific fluorescent dye that allows intravital staining of cell structures with subsequent real-time monitoring of changes occurring in the cells.

Electronic transitions in noncovalent BODIPY dimers: TD-DFT study.

Theoretical computations have been performed on the absorption spectra of (8-R-TMB) dimers with varying character of substituents at the 8 position (meso) at monomers units (R = NH, OH, CH, H, COH, CF, CN). The obtained results (TD-CAM-B3LYP) show that the first four lower transitions of studied dimers (S → S, i = 1-4) are intrinsically linked with delocalized HOMO and LUMO orbitals of the two monomers, which constitute a dimer. For all the dimers, S → S and S → S transitions are strongly forbidden, whereas S → S and S → S are allowed.

Theoretical Investigation of Carbon Dioxide Adsorption on Li-Decorated Nanoflakes.

Recently, the capture of carbon dioxide, the primary greenhouse gas, has attracted particular interest from researchers worldwide. In the present work, several theoretical methods have been used to study adsorption of CO molecules on Li-decorated coronene (Li@coronene). It has been established that Li can be strongly anchored on coronene, and then a physical adsorption of CO will occur in the vicinity of this cation.