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Using density functional theory calculations we show that the recently synthesized superhard diamondlike BC5 is superconducting with a critical temperature of the same order as that of MgB2. The average electron-phonon coupling is lambda=0.89, the phonon-frequency logarithmic average is log=67.4 meV, and the isotope coefficients are alpha(C)=0.3 and alpha(B)=0.2. In BC5, superconductivity is mostly sustained by concerted vibrations of the B atom and its C neighbors. 相似文献
434.
Wavelength dispersive X‐ray fluorescence (WDXRF) and chemometric investigation of human hair after cosmetic treatment 下载免费PDF全文
Mônica Cardoso Santos Marco Aurelio Sperança Fabíola Manhas Verbi Pereira 《X射线光谱测定》2018,47(3):252-257
Variations in the chemical composition of 63 different human and 6 different synthetic hair samples were investigated using wavelength dispersive X‐ray fluorescence (WDXRF) spectra profiles. To evaluate the effect of cosmetic treatment on the strands, the human hair samples were bleached, but the synthetic ones were not. To better investigate the data, exploratory analyses were calculated using principal component analysis for the WDXRF spectra. Eight normalizations/standardizations were applied in the WDXRF to verify the clustering tendency. Bleaching was tested, because it is one way in which people mask their real hair color. After the data were standardized, an enhancement of the data discrimination was verified. Furthermore, the explained variance was higher in the first principal components. The WDXRF spectra were able to distinguish samples with distinct features, including synthetic, dyed, and straightened hair. The findings of this study hold promise for forensics due to desirable aspects such as nondestructivity and the possibility of a large hair sample database. 相似文献
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Analysis of abamectin residues in avocados by high-performance liquid chromatography with fluorescence detection 总被引:1,自引:0,他引:1
Hernández-Borges J Ravelo-Pérez LM Hernández-Suárez EM Carnero A Rodríguez-Delgado MA 《Journal of chromatography. A》2007,1165(1-2):52-57
In this work an analytical method for the determination of abamectin residues in avocados is developed using high-performance liquid chromatography (HPLC) with fluorescence (FL) detection. A pre-column derivatization with trifluoroacetic anhydride (TFAA) and N-methylimidazole (NMIM) was carried out. The mobile phase consisted of water, methanol and acetonitrile (5:47.5:47.5 v/v/v) and was pumped at a rate of 1 mL/min (isocratic elution). The fluorescence detector was set at an excitation wavelength of 365 nm and an emission wavelength of 470 nm. Homogenized avocado samples were extracted twice with acetonitrile:water 8:2 (v/v) and cleaned using C(18) solid-phase extraction (SPE) cartridges. Recovery values were in the range 87-98% with RSD values lower than 13%. The limits of detection (LODs) and quantification (LOQs) of the whole method were 0.001 and 0.003 mg/kg, respectively. These values are lower than the maximum residue limit (MRL) established by the European Union (EU) and the Spanish legislation in avocado samples. 相似文献
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Mancini E De Martino L Marandino A Scognamiglio MR De Feo V 《Molecules (Basel, Switzerland)》2011,16(9):7725-7735
The chemical composition of the essential oil of Helichrysum italicum (Roth) Don ssp. italicum, collected in the National Park of Cilento and Diano Valley, Southern Italy, was studied by means of GC and GC/MS. Forty four compounds of 45 constituents were identified in the oil, mainly oxygenated sesquiterpenes. The essential oil was evaluated for its potential in vitro phytotoxic activity against germination and early radicle elongation of radish and garden cress. The radicle elongation of radish was significantly inhibited at the highest doses tested, while germination of both seeds was not affected. 相似文献
439.
da Silva AR Herbst MH Ferreira AB da Silva AM Visentin LC 《Molecules (Basel, Switzerland)》2011,16(2):1192-1200
The compound (10E)-2,2-dimethyl-3,4-dihydro-2H-benzo[g]chromene-5,10-dione-10-oxime (1) was synthesized from a-lapachone and hydroxylamine chloride in alkaline medium. Single-crystals suitable for X-ray diffraction measurements were grown from an ethanol solution, and the crystal structure of the title molecule is reported for the first time. The title molecule was also characterized by 1H- and 13C-NMR in CDCl? solution, FTIR and MS. The crystal structure of 1 shows an E stereochemistry and dimers formed through classical hydrogen bonds. 相似文献
440.
Colodrero RM Cabeza A Olivera-Pastor P Choquesillo-Lazarte D Garcia-Ruiz JM Turner A Ilia G Maranescu B Papathanasiou KE Hix GB Demadis KD Aranda MA 《Inorganic chemistry》2011,50(21):11202-11211
A family of M-VP (M = Ni, Co, Cd, Mn, Zn, Fe, Cu, Pb; VP = vinylphosphonate) and M-PVP (M = Co, Cd; PVP = phenylvinylphosphonate) materials have been synthesized by hydrothermal methods and characterized by FT-IR, elemental analysis, and thermogravimetric analysis (TGA). Their structures were determined either by single crystal X-ray crystallography or from laboratory X-ray powder diffraction data. The crystal structure of some M-VP and M-PVP materials is two-dimensional (2D) layered, with the organic groups (vinyl or phenylvinyl) protruding into the interlamellar space. However, the Pb-VP and Cu-VP materials show dramatically different structural features. The porous, three-dimensional (3D) structure of Pb-VP contains the Pb center in a pentagonal pyramid. A Cu-VP variant of the common 2D layered structure shows a very peculiar structure. The structure of the material is 2D with the layers based upon three crystallographically distinct Cu atoms; an octahedrally coordinated Cu(2+) atom, a square planar Cu(2+) atom and a Cu(+) atom. The latter has an unusual co-ordination environment as it is 3-coordinated to two oxygen atoms with the third bond across the double bond of the vinyl group. Metal-coordinated water loss was studied by TGA and thermodiffractometry. The rehydration of the anhydrous phases to give the initial phase takes place rapidly for Cd-PVP but it takes several days for Co-PVP. The M-VP materials exhibit variable dehydration-rehydration behavior, with most of them losing crystallinity during the process. 相似文献