In the scope of a Sequential QM-MM approximation [1], we investigated the solvent effect on the conformational and electronic structure of 1-8-Naphthalimide in both ground and excited states. We obtained the optimized structure of 1-8Naphthalimide in acetonitrile, ethanol and water, in ground and in the first excited state. Then we computed the absorption and fluorescence spectra using CASPT2 a...

A selective fluorescent chemodosimeter for mercury ion based on the mercury-promoted intramolecular cyclic guanylation of thiourea connected on 1, 8-naphthalimide is described.

Transient absorption and time resolved luminescence spectroscopy were used to study photophysical processes in the macrocycle-appended 1,8-naphthalimide compound H3L, and its Eu(III) and Gd(III) complexes Eu·L and Gd·L, in particular the naphthalimide-Eu(III) energy-transfer process. In all cases aggregation of the naphthalimide chromophores results in a low-energy emission feature in the 470-5...

A macrocycle-appended naphthalimide derivative and its Eu(III) complex show triple luminescence from isolated naphthalimide (blue), aggregated naphthalimide excimers (green) and Eu centres (red) with the balance being sensitive to the degree of aggregation, allowing white light emission to be obtained from a single molecule.

A novel naphthalimide derivative endowed with a diketone functionality has been synthesized and used to develop a family of highly symmetric, flat, n-type semiconducting naphthalimide-based pyrazinacenes. By changing the symmetry of these compounds and the number of naphthalimide constituents, fine tuning of their electrochemical, photophysical, and morphological properties is achieved.

Modified rhodamine 6G molecules (Rh-Al or Rh-Aln) with polymerizable double bonds had been copolymerized with 1,8-naphthalimide derivatives. In copolymers PRNAM, naphthalimide moieties are connected to rhodamine moieties at nitrogen atom of rhodamine moiety, and in copolymers PRNM naphthalimide moieties are connected to rhodamine moieties at ester group of rhodamine moiety. We report on their p...

Selective inhibition of function-specific β-GlcNAcase has great potential in terms of drug design and biological research. The symmetrical bis-naphthalimide M-31850 was previously obtained by screening for specificity against human glycoconjugate-lytic β-GlcNAcase. Using protein-ligand co-crystallization and molecular docking, we designed an unsymmetrical dyad of naphthalimide and thiadiazole, ...

In the title compound, C(18)H(10)ClNO(2), the naphthalimide ring system is almost planar, the rings forming dihedral angles of 2.05 (3), 2.26 (3) and 0.80 (3)°. The attached benzene ring of the 4-chloro-phenyl substituent is inclined to the mean plane of the naphthalimide ring system by 75.77 (11)°. In the crystal structure, symmetry-related mol-ecules are linked by C-H⋯O inter-actions. There a...

Fragment-based in silico screening against dynamin I (dynI) GTPase activity identified the 1,8-naphthalimide framework as a potential scaffold for the design of new inhibitors targeting the GTP binding pocket of dynI. Structure-based design, synthesis and subsequent optimization resulted in the development of a library of 1,8-naphthalimide derivatives, called the Naphthaladyn™ series, with comp...

Novel bi-chromophoric naphthalimide derivatives containing benzo-15-crown-5 and N-phenyl-aza-15-crown-5 receptor moieties BNI2 and BNI3 were designed and prepared. Significant Förster resonance energy transfer (FRET) from donor (D) amido-naphthalimide to acceptor (A) amino-naphthalimide chromophores as well as photoinduced electron transfer (PET) between the N-aryl receptor and amido-naphthalim...