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Nitrogen-Rich Tetranuclear Metal Complex as a New Structural Motif for Energetic Materials.

ABSTRACT: For designing energetic materials (EMs), the most challenging issue is to achieve a balance between energetic performance and reliable stability. In this work, we employed an efficient and convenient method to synthesize a new class of EMs: nitrogen-rich tetranuclear metal complexes [M(Hdtim)(H₂O)₂]₄ (M = Zn 1, Mn 2; H₃dtim = 1H-imidazol-4,5-tetrazole) with the N content of >46%. The structural analyses illustrate that isomorphous compounds 1 and 2 feature isolated hollow ellipsoid tetranuclear units, which are linked by both π-π interactions and hydrogen-bonding interactions to give a 3D supramolecular architecture. Compounds 1 and 2 exhibit prominent energetic characteristics: excellent detonation performances and reliable thermal, impact, and friction stabilities. Being nitrogen-rich tetrazolate compounds, the enthalpies of combustion of 1 (-11.570 kJ g^-1) and 2 (-12.186 kJ g^-1) are higher than those of classical EMs, RDX and HMX, and they possess high positive heats of formation. Sensitivity tests demonstrate that 1 and 2 are insensitive to external mechanical action. Excellent energetic performances and low sensitivities promote 1 and 2 to serve as a new class of promising EMs with a desirable level of safety.

SUBMITTER: Xu JG

PROVIDER: S-EPMC6640972 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Project description:A wide variety of metal-based compounds have been obtained and studied for their antitumor activity since the intensely used cytostatic drugs (e.g., cisplatin) failed to accomplish their expected pharmacological properties. Thus, we aimed to develop a new vanadium-based drug and assess its antitumor properties using the human hepatocarcinoma (HepG2) cell line. The compound was synthesized from vanadyl sulfate, DL-valine, and o-vanillin and was spectrally and structurally characterized (UV-Vis, IR, CD, and single-crystal/powder-XRD). Compound stability in biological media, cell uptake, and the interaction with albumin were assessed. The mechanisms of its antitumor activity were determined compared to cisplatin by performing cytotoxicity, oxidative and mitochondrial status, DNA fragmentation, β-Tubulin synthesis investigation, and cell cycle studies. Herein, we developed a macrocyclic tetranuclear oxidovanadium(V) compound, [(VVO)(L)(CH3O)]4, having coordinated four Schiff base (H2L) ligands, 3-methoxysalicylidenvaline. We showed that [(VVO)(L)(CH3O)]4: (i) has pH-dependent stability in biological media, (ii) binds to albumin in a dose-dependent manner, (iii) is taken up by cells in a time-dependent way, (iv) has a higher capacity to induce cell death compared to cisplatin (IC50 = 6 μM vs. 10 μM), by altering the oxidative and mitochondrial status in HepG2 cells. Unlike cisplatin, which blocks the cell cycle in the S-phase, the new vanadium-based compound arrests it in S and G2/M-phase, whereas no differences in the induction of DNA fragmentation and reduction of β-Tubulin synthesis between the two were determined. Thus, the [(VVO)(L)(CH3O)]4 antitumor mechanism involved corroboration between the generation of oxidative species, mitochondrial dysfunction, degradation of DNA, cell cycle arrest in the S and G2/M-phase, and β-Tubulin synthesis reduction. Our studies demonstrate the potent antitumor activity of [(VVO)(L)(CH3O)]4 and propose it as an attractive candidate for anticancer therapy.

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Nitrogen-Rich Tetranuclear Metal Complex as a New Structural Motif for Energetic Materials.

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