In the present work, both experimental and theoretical studies have been performed on the molecular structure and infrared spectra of 1,8-dihydroxyanthraquinone （1,8- DHAQ）. The FT-IR spectra （400--4000 cm1） of 1,...In the present work, both experimental and theoretical studies have been performed on the molecular structure and infrared spectra of 1,8-dihydroxyanthraquinone （1,8- DHAQ）. The FT-IR spectra （400--4000 cm1） of 1,8-DHAQ were recorded, while density functional B3LYP calculations were employed in conjunction with the 6-31G（d） and 6-311G（d,p） basis sets to investigate the corresponding geometrical structure and infrared spectroscopic properties. Besides, the detailed interpretations of fundamental vibrations were performed on the basis of the experimental results and potential energy distribution （PED） of the vibrational modes. Optimized structure of the title compound was interpreted and compared with the earlier reported experimental values, which yielded good agreement. The measured and calculated harmonic vibrational wavenumbers were compared with each other, and they were found to be in good accordance. Furthermore, UV-vis spectra of the compound were recorded in the region of 215-500 nm, and it was found that the five intense electronic transitions predicted by the EOM-B3LYP/6-31G（d） method were largely consistent with the measured experimental data in the ethanol solution. Moreover, the calculated HOMO and LUMO energies show charge transfer within the molecule.展开更多
In this work, AgCl nanoparticles were synthesized from Microsorum scolopendria (MS) aqueous extract and AgNO3 solution. Preliminary confirmation was a color change from a light brown to a dark-colored solution and a U...In this work, AgCl nanoparticles were synthesized from Microsorum scolopendria (MS) aqueous extract and AgNO3 solution. Preliminary confirmation was a color change from a light brown to a dark-colored solution and a UV-Vis spectra surface plasmon resonance peak at 427 nm. Measured vibrational frequencies at 1713 cm1 and 1030 cm1 for C-O stretching of carboxylic acid or aliphatic ketone, and 1547 cm1 for possibly N-O stretching of nitro compounds by Infrared (FTIR) analysis explain the possible biomaterial electronegative species or functional groups responsible for the reduction of Ag ( 1) to Ag (0) for the formation of MS-AgCl nanoparticles. XRD analysis studies revealed that these particles contained face-centered cubic crystallites of metallic AgCl of 100 % with an average calculated crystallite size range of 30.34 nm (SD = 5.10 nm) by Scherrers equation and a calculated crystallite size of 66.04 nm with a lattice strain of 0.00175 nm by Williamson Hall equation. The measured albumin denaturing activity of MS-AgCl nanoparticles gave an IC50 value of 26.70 g/mL and 1.35 g/mL for the positive control diclofenac. Additionally, the measured ability of phosphomolybdate complex formation, the antioxidant IC value of MS-AgCl nanoparticles was 35.29 g/mL, and positive control ascorbic acid was 13.91 g/mL. In all, using MS fern frond aqueous extracts, this preliminary work confirms MS-AgCl nanoparticles as potential therapeutic agents for oxidative stress, inflammatory problems, and related diseases.展开更多
Present study describes the development of a rapid, sensitive and selective flow injection analysis of hydrazine in the aqueous streams of purex process by liquid chromatography system coupled with UV-Visible detector...Present study describes the development of a rapid, sensitive and selective flow injection analysis of hydrazine in the aqueous streams of purex process by liquid chromatography system coupled with UV-Visible detector. The method is based on the formation of yellow coloured azine complex by reaction of hydrazine with para-dimethy laminobenzaldehyde (pDMAB). The formed yellow coloured complex is stable in acidic medium and has a maximum absorption at 460 nm. The presence of uranium in hydrazine solution is not interfering in the analysis. Under optimum condition, the absorption intensity linearly increased with the concentration of hydrazine in the range from 0.05-10 mg?L–1 with a correlation coefficient of R2=0.9999 (n=7). The experimental detection limit is 0.05mgL–1. The sampling frequency is 15 samples h–1 and the relative standard deviation was 2.1% for 0.05 mg?L–1. This method is suitable for automatic and continuous analysis and successfully applied to determine the concentration of hydrazine in the aqueous stream of nuclear fuel reprocessing.展开更多
文摘In the present work, both experimental and theoretical studies have been performed on the molecular structure and infrared spectra of 1,8-dihydroxyanthraquinone （1,8- DHAQ）. The FT-IR spectra （400--4000 cm1） of 1,8-DHAQ were recorded, while density functional B3LYP calculations were employed in conjunction with the 6-31G（d） and 6-311G（d,p） basis sets to investigate the corresponding geometrical structure and infrared spectroscopic properties. Besides, the detailed interpretations of fundamental vibrations were performed on the basis of the experimental results and potential energy distribution （PED） of the vibrational modes. Optimized structure of the title compound was interpreted and compared with the earlier reported experimental values, which yielded good agreement. The measured and calculated harmonic vibrational wavenumbers were compared with each other, and they were found to be in good accordance. Furthermore, UV-vis spectra of the compound were recorded in the region of 215-500 nm, and it was found that the five intense electronic transitions predicted by the EOM-B3LYP/6-31G（d） method were largely consistent with the measured experimental data in the ethanol solution. Moreover, the calculated HOMO and LUMO energies show charge transfer within the molecule.
文摘In this work, AgCl nanoparticles were synthesized from Microsorum scolopendria (MS) aqueous extract and AgNO3 solution. Preliminary confirmation was a color change from a light brown to a dark-colored solution and a UV-Vis spectra surface plasmon resonance peak at 427 nm. Measured vibrational frequencies at 1713 cm1 and 1030 cm1 for C-O stretching of carboxylic acid or aliphatic ketone, and 1547 cm1 for possibly N-O stretching of nitro compounds by Infrared (FTIR) analysis explain the possible biomaterial electronegative species or functional groups responsible for the reduction of Ag ( 1) to Ag (0) for the formation of MS-AgCl nanoparticles. XRD analysis studies revealed that these particles contained face-centered cubic crystallites of metallic AgCl of 100 % with an average calculated crystallite size range of 30.34 nm (SD = 5.10 nm) by Scherrers equation and a calculated crystallite size of 66.04 nm with a lattice strain of 0.00175 nm by Williamson Hall equation. The measured albumin denaturing activity of MS-AgCl nanoparticles gave an IC50 value of 26.70 g/mL and 1.35 g/mL for the positive control diclofenac. Additionally, the measured ability of phosphomolybdate complex formation, the antioxidant IC value of MS-AgCl nanoparticles was 35.29 g/mL, and positive control ascorbic acid was 13.91 g/mL. In all, using MS fern frond aqueous extracts, this preliminary work confirms MS-AgCl nanoparticles as potential therapeutic agents for oxidative stress, inflammatory problems, and related diseases.
文摘Present study describes the development of a rapid, sensitive and selective flow injection analysis of hydrazine in the aqueous streams of purex process by liquid chromatography system coupled with UV-Visible detector. The method is based on the formation of yellow coloured azine complex by reaction of hydrazine with para-dimethy laminobenzaldehyde (pDMAB). The formed yellow coloured complex is stable in acidic medium and has a maximum absorption at 460 nm. The presence of uranium in hydrazine solution is not interfering in the analysis. Under optimum condition, the absorption intensity linearly increased with the concentration of hydrazine in the range from 0.05-10 mg?L–1 with a correlation coefficient of R2=0.9999 (n=7). The experimental detection limit is 0.05mgL–1. The sampling frequency is 15 samples h–1 and the relative standard deviation was 2.1% for 0.05 mg?L–1. This method is suitable for automatic and continuous analysis and successfully applied to determine the concentration of hydrazine in the aqueous stream of nuclear fuel reprocessing.
