Synthesis, Covalency Sequence, and Crystal Features of Pentagonal Uranyl Acylpyrazolone Complexes along with DFT Calculation and Hirshfeld Analysis.

Three uranyl acylpyrazolone complexes [UO2(PCBPMP)2(CH3CH2OH)] (complex I), [UO2(PCBMCPMP)2(CH3CH2OH)] (complex II), and [UO2(PCBPTMP)2(CH3CH2OH)] (complex III) were synthesized from σ-donating acypyrazolone ligands to analyze their sequence of covalent characteristics, reactivity, and redox properties (PCBPMP: p-chlorobenzoyl 1-phenyl 3-methyl 5-pyrazolone; PCBMCPMP: p-chlorobenzoyl 1-(m-chlorophenyl) 3-methyl 5-pyrazolone; PCBPTMP: p-chlorobenzoyl 1-(p-tolyl) 3-methyl 5-pyrazolone). An examination of the structure, pentagonal bipyramidal geometry, and composition of these complexes was conducted mainly through their single-crystal X-ray diffraction (XRD) data, 1H nuclear magnetic resonance (NMR) δ-values, plots of thermogravimetric-differential thermal analysis (TG-DTA), significant Fourier transform infrared (FTIR) vibrations, gravimetric estimation, and molar conductivity values. The covalency order was found to be complex II > III > I, which mainly depends on values of stretching frequencies, average bond lengths of axial uranyl bonds, values of average bond lengths on the pentagonal equatorial plane, solvent coordination on the fifth site of a pentagonal plane, and the type of aryl group on the nitrogen of the pyrazolone ring. This was confirmed by FTIR spectroscopy and single-crystal spectral characterization. To verify experimental results by comparison with theoretical results, density functional theory (DFT) calculations were carried out, which further gives evidence for the covalency order through theoretical frequencies and the gap of highest occupied molecular orbital (HOMO)-lowest unoccupied molecular orbital (LUMO) energies. Theoretical bond properties were also examined by the identification of global index parameters. Intermolecular noncovalent surface interactions were studied by the Hirshfeld surface analysis. The irreversible redox behavior of uranyl species was identified through electrochemical cyclic voltammetry-differential pulse voltammetry (CV-DPV) plot analysis.

Synthesis and cytotoxicity evaluation of novel acylated starch nanoparticles.

Starch nanoparticles (StNPs) were acylated under ambient conditions to obtain various nanosized derivatives formed stable suspension in water and soluble in organic solvents. The degree of substitution (DS) was determined using (1)H NMR technique. The cytotoxicity potential of the derivatised StNPs was evaluated in mouse embryonic fibroblast (3T3L1) cells and A549 tumor cell line using MTT cell viability assay. Other parameters that determine the oxidative stress viz., reactive oxygen species (ROS) generation, intracellular reduced glutathione (GSH), superoxide generation and acridine orange/ethidium bromide staining were also investigated. The present study led to the conclusion that cytotoxic activity of acylated starch nanoparticles was dependent on their dosage, DS and type of substitution. The non-toxic nature in non-cancerous cells reveals that the nanoparticles (NPs) can be used for cancer therapy and drug delivery. The nanoparticles also offered reasonable binding propensity with CT-DNA.

Treatment and Remediation of Petroleum-Contaminated Soils Using Selective Ornamental Plants.

Pot-culture experiments were carried out to assess the phytoremediation potential of 14 ornamental plants in weathered petroleum-contaminated soil, which was collected in the Shengli Oil Field, one of the biggest oil fields in China, by examining their impact on the degradation potential of total petroleum hydrocarbons (TPHs) and its composition. Results showed Gaillardia aristata, Echinacea purpurea, Fawn (Festuca arundinacea Schreb), Fire Phoenix (a combined F. arundinacea), and Medicago sativa L. could effectively reduce TPHs and its composition in 10,000 mg kg(-1) TPH-contaminated soil. After a 30-day pot-culture experiment, the removal rates were 37.16%, 46.74%, 49.42%, 41.00%, and 37.93%, respectively, significantly higher than that in the control (only 12.93%). Removal rates of TPH composition including saturated hydrocarbon, aromatic hydrocarbon, asphaltene, and polar compound reached 39.41%, 38.47%, 45.11%, 42.92%, and 37.52%, respectively, also higher than that in the control (only 6.90%). Further, the total biomass did not significantly decrease for all plants tested in 10,000 mg kg(-1) TPH-contaminated soil. Fourier transform infrared spectroscopy confirmed the presence of oil in the plant tissues. These results suggested that the typical ornamental species including G. aristata, E. purpurea, Fawn, Fire Phoenix, and M. sativa can be adopted in phytoremediation of oil-contaminated soil.