FT-IR, XPS, and DFT Study of Adsorption Mechanism of Sodium Acetohydroxamate onto Goethite or Hematite

The adsorption of sodium acetohydroxamate on the goethite or hematite surface was investi- gated by Fourier transform infrared spectroscopy （FT-IR）, X-ray photoemission spectroscopy and periodic plane-wave density functional theory （DFT） calculations. The core-level shifts and charge transfers of the adsorbed surface iron sites calculated by DFT with periodic in- terfacial structures were confronted to the X-ray photoemission experiments. FT-IR results reveal that the interracial structure of sodium acetohydroxamate adsorbed on the goethite or hematite surface may be assigned to a five-membered ring complex. In agreement with the adsorption energies determined by the DFT calculations, a five-membered ring complex is formed via bonding of one surface iron atom of goethite （101） or （100） to both oxygen atoms of hydroxamate group, and these two oxygen atoms of the hydroxamate group correspond- ingly attach to two neighboring iron atoms of the goethite surface. But a five-membered ring complex between two oxygen atoms of the hydroxamate group and one surface iron atom of hematite （001） is formed without any extra attachments. The calculated core-level shifts of Fe2p for the interracial structures are correspondingly in good agreement with the experimental observed one, which confirmed the reliability of the calculated results.

Chemical composition and anti-inflammatory activity of Boswellia ovalifoliolata essential oils from leaf and bark

We isolated the essential oils from Boswellia ovalifoliolata N.P.Balakr and A.N.Henry using hydrodistillation,identified the obtained compounds using gas chromatography–mass spectrometry(GC–MS) and Fourier transform-infrared spectroscopy(FT-IR),and studied the photophysical and electrochemical properties using UV–visible and fluorescence spectroscopy and cyclic voltammetry.On the basis of GC–MS spectra,38 compounds were identified in the essential oil from leaves and 26 in the oil from bark.The bark oil contained 13.44% b-Farnesene(sesquiterpene),10.45% caryophyllene oxide(sesquiterpene) and 6.6% spathulenol,(2 Z,6 E)-(sesquiterpene alcohol); the leaf oil contained 11.1% spathulenol(sesquiterpene alcohol),9.0% caryophyllene oxide(sesquiterpenoids) and 6.3% decyl acetate(ester).FT-IR spectra confirmed the presence of aliphatic aldehydes and ketones,carboxylic acid,alcohols,esters and ethers in both oil types.UV–visible absorption spectra showed maximum absorbance at 245,290 and 402 nm for bark oil,and 250,285 and 325 nm for leaf.Bark oil showed strong emission with maximum emission wavelength at 456 nm was higher than that of leaf oil at 414 nm.The essential oil had significant anti-inflammatory activity,and the reduction potential of the leaf oil was-0.44 and-0.56 e V for bark.

Green synthesis of biocompatible gold nanoparticles using Fagopyrum esculentum leaf extract

This report describes the use of ethnolic extract of Fagopyrum esculentum leaves for the synthesis of gold nanoparticles. UV-visible spectroscopy analysis indicated the successful formation of gold nanoparticles. The synthesized nanoparticles were characterized by transmission electron microscopy （TEM）, high resolution TEM （HRTEM） and were found to be spherical, hexagonal and triangular in shape with an average size of 8.3 nm. The crystalline nature of the gold nanoparticles was confirmed from X.ray diffraction （XRD） and selected-area electron diffraction （SAED） patterns. Fourier transform infrared （FT-IR） and energy.dispersive X-ray analysis （EDX） suggested the presence of organic biomolecules on the surface of the gold nanoparticles. Cytotoxicity tests against human HeLa, MCF-7 and IMR-32 cancer cell lines revealed that the gold nanoparticles were non-toxic and thus have potential for use in various biomedical applications.