Functionalization of boron-dipyrrin (BODIPY) chromophores with pyridine (1) or pyrimidine (2) substituents affords molecules with strong absorbance in the visible spectrum which are also highly fluorescent in solution, in thin films and as powders. Reaction of either 1, a bipyridyl ligand, or 2, a bipyrimidinyl ligand, with CuI in MeCN affords a one-dimensional coordination polymer (3) or a three-dimensional coordination polymer (4), respectively. Although the free ligands, 1 and 2, exhibit fluorescence in the solid-state, metal coordination in the CuI coordination polymers, 3 and 4, leads to quenching despite the retention of the BODIPY core.

Functionalization of 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene (BODIPY) chromophores at the 2,6-positions with iodo substituents and morpholino-substituted α-methyl groups affords molecules with strong absorbance in the visible spectrum. The effect of such substitution on the solid-state arrangements, absorption, fluorescence and electronic properties of these dye molecules is reported. The spectroscopic and spectroelectrochemical measurements display intense absorptions in the UV-visible spectrum with bathochromic shifts, in comparison to unfunctionalized BODIPY, and a positive shift in redox potentials due to functionalisation of the BODIPY core. Halogen bonds are observed in the solid-state structures of both halogenated BODIPY species, which in one case leads to the formation of an unusual halogen bonded framework.

Environmentally friendly catalyst consisting of a flavin mononucleotide and titanium dioxide nanoparticles for MV ²⁺ and poly-fluorinated octanoic acid reduction.

We synthesized 1,3,5-triyltris((4-chlorophenyl)methanone) by a condensation reaction in glacial acetic acid and studied utilizing spectroscopic and analytical techniques such as ultraviolet, infrared, mass, elemental, and nuclear magnetic resonance (NMR) spectroscopy, as well as X-ray crystallography. The effect of chlorine substitution in the 1,3,5-triaroylbenzene compound in solid-state arrangements was studied. Halogen bonds are detected in the solid-state structures of the titled compound. A dimeric structure is formed due to the presence of two C-Cl···Cl Type I halogen interactions. Additionally, a delocalized Type III C-Cl···π interaction were reported. C-Cl···H hydrogen bonding and π···π interaction were also reported. Hirshfeld surface analysis, 3D fingerprint, the energy framework, and the electro-optic potential were used to evaluate such interactions.

In the current study, triazolo pyrimidine coumarin and benzocoumarin derivatives were prepared using green methods as a fast and cost-efficient strategy in comparison with the traditional method in terms of reaction time and yield. Combining coumarins with other bioactive compounds could improve the anticancer properties and other biological activities. Therefore, both compounds were evaluated in silico as potential early-stage small molecule inhibitors of three targets, which cause four life-threatening diseases: leukaemia FLT3 (PDB: 4XUF), SARS-COV-2 (3CLpro) (PDB: 6M2N), and adenosine A1 receptors A1R (PDB: 5N2S), which could cause heart failure and Alzheimer’s disease. It was discovered that both compounds show promising results against the three targets. However, benzocoumarin shows an advantage over coumarin compounds. The effects of modifications to the coumarin core have been studied using an in silico technique that evaluates pharmacokinetics, absorption, distribution, metabolism, excretion, and toxicity of these compounds, showing promising results as an early-stage drug. However, both compounds were predicted to be highly absorbed from the gastrointestinal tract and enter the blood-brain barrier efficiently. The predicted oral toxicity of both compounds was LD50 = 350 mg/kg, putting both of them in the IV toxicity class. The optical properties of coumarin and benzocoumarin compounds were also investigated. Graphical abstract