No abstract

The cyclotriphosphazenes, which constitute an important class of inorganic compounds, can show new properties in the medical or technological fields depending on the properties of the substituted organic/inorganic groups. Herein, we aimed to determine electrical and theoretical properties of the nanographene-doped chalcone derivatives of dioxybiphenyl-bridged dispiro-cyclotriphosphazenes. For this aim, a new series of chalcone substituted spiro-cyclotriphosphazenes (3 a-g) have been synthesized by the reaction of dioxybiphenyl-bridged dispiro-cyclotriphosphazene (3) with chalcone derivatives (1 ag), respectively. Then, nanographene was doped to these spirocyclotriphosphazene 3 a-g using a hydrothermal system. The dielectric constant and loss factor of 4 % graphene-doped chalcone-substituted spiro-cyclotriphosphazene 3 g were determined as 167 and 2147 at 1 kHz, respectively, showing a significant increase compared to compound 3 g. The energy values of HOMO and LUMO orbitals are computed using DFT theory's level of B3LYP/6-31G(d,p). The FMO's energy gap values for 3 a-g were found to be 7. 92, 3.48, 3.26, 3.33, 3.53, 4.03 and 3.75 eV, respectively. Especially at frequencies below 10 kHz, the most striking result was observed for the nanographenedoped 3 d. While the AC conductivity of 3 d at 1 kHz was 3.87 × 10 À 9 S cm À 1 , the conductivity of the graphene-doped 3 d was calculated as 5.00 × 10 À 6 S cm À 1 . In addition, DC conductivity measurements were completed as a function of temperature and linearly increasing graphs were obtained with temperature. The activation energies calculated from the slopes of these graphs were 0.293, 0.305, 0.364 and 0.920 eV for 3 c, 3 d, 3 e and 3 g, respectively.

A series of chalcone compounds (2–11) were designed and synthesized to determine their cytotoxic effects. The structures of 2–11 were fully characterized by their physical and spectral data. The in vitro cytotoxic effects of 2–11 were evaluated against human ovarian cancer (A2780), breast cancer (MCF-7) and prostate cancer (PC-3 and LNCaP) cell lines. The activity potentials of compounds were further evaluated through molecular docking studies with AutoDock4 and Vina softwares. All the compounds (except compound 5) showed significant cytotoxic effects at high doses in all cancer cell lines. Among all the compounds studied, one compound i.e. compound 2 demonstrated dose-dependent activity, particularly against A2780/LNCaP cancer cell lines. The most effective compounds 8, 9, 10 and 11 reduced the cell viability of A2780, MCF-7, PC-3 and LNCaP cells by 50–98%, while other compounds 2, 4 and 7 reduced the cell viability of A2780 cells by 70–90% at concentrations of 50 and 100 μM.