Photoluminescence of anatase and rutile TiO2 particles

Nonaqueous reactions between titanium(IV) chloride and alcohols (benzyl alcohol or n-butanol) were used for the synthesis of anatase TiO2 particles, while rutile TiO2 particles were synthesized in aqueous media by acidic hydrolysis of titanium(IV) chloride. The X-ray diffraction measurements proved the exclusive presence of either the anatase or the rutile phase in prepared samples. The photoluminescence of both kinds of particles (anatase and rutile) with several well-resolved peaks extending in the visible spectral region was observed, and the quantum yield at room temperature was found to be 0.25%. Photon energy up-conversion from colloidal anatase and rutile TiO2 particles was observed at low excitation intensities. The energy of up-converted photoluminescence spans the range of emission of normal photoluminescence. The explanation of photon energy up-conversion involves mid-gap energy levels originating from oxygen vacancies.     

Photodissociation of vibrationally excited SH and SD radicals at 288 and 291 nm: the S(1D2) channel

Ultraviolet photodissociation of SH (X 2Pi, upsilon"=2-7) and SD (X 2Pi, upsilon"=3-7) has been studied at 288 and 291 nm, using the velocity map imaging technique to probe the angular and speed distributions of the S(1D2) products. Photodissociation cross sections for the A 2Sigma+<--X 2Pi(upsilon") and 2Delta<--X 2Pi(upsilon") transitions have been obtained by ab initio calculations at the CASSCF-MRSDCI/aug-cc-pV5Z level of theory. Both the experimental and theoretical results show that SH/SD photodissociation from X 2Pi (upsilon"相似文献   

Assessment of the Molecular Expression and Structure of Gangliosides in Brain Metastasis of Lung Adenocarcinoma by an Advanced Approach Based on Fully Automated Chip-Nanoelectrospray Mass Spectrometry

Gangliosides (GGs), sialic acid-containing glycosphingolipids, are known to be involved in the invasive/metastatic behavior of brain tumor cells. Development of modern methods for determination of the variations in GG expression and structure during neoplastic cell transformation is a priority in the field of biomedical analysis. In this context, we report here on the first optimization and application of chip-based nanoelectrospray (NanoMate robot) mass spectrometry (MS) for the investigation of gangliosides in a secondary brain tumor. In our work a native GG mixture extracted and purified from brain metastasis of lung adenocarcinoma was screened by NanoMate robot coupled to a quadrupole time-of-flight MS. A native GG mixture from an age-matched healthy brain tissue, sampled and analyzed under identical conditions, served as a control. Comparative MS analysis demonstrated an evident dissimilarity in GG expression in the two tissue types. Brain metastasis is characterized by many species having a reduced N-acetylneuraminic acid (Neu5Ac) content, however, modified by fucosylation or O-acetylation such as Fuc-GM4, Fuc-GM3, di-O-Ac-GM1, O-Ac-GM3. In contrast, healthy brain tissue is dominated by longer structures exhibiting from mono- to hexasialylated sugar chains. Also, significant differences in ceramide composition were discovered. By tandem MS using collision-induced dissociation at low energies, brain metastasis-associated GD3 (d18:1/18:0) species as well as an uncommon Fuc-GM1 (d18:1/18:0) detected in the normal brain tissue could be structurally characterized. The novel protocol was able to provide a reliable compositional and structural characterization with high analysis pace and at a sensitivity situated in the fmol range.     

Silicothermic reduction process in magnesium production

In this paper there are presented the results of the characterization and thermal analysis of the slag from the magnesium plant ‘Bela Stena’, Serbia. The results of X-ray fluorescence analysis, scanning electron microscopy (SEM), optical microscopy (LOM) and X-ray diffraction (XRD) were used for chemical and mineralogical analysis of the solidified slag samples. Differential thermal analysis (DTA), thermo-gravimetric (TG) analysis and thermal microscopy results were used for determination of characteristic phase transformations. The solidified slag shows dicalcium silicate based structure. Magnesium is mostly present in the form of the following minerals: periclase, merwinite and melilite.     

Phenolic profiles of Serbian autochthonous variety ‘Prokupac’ and monovarietal international wines from the Central Serbia wine region

Phenolic profiles of young monovarietal white and red wines from the Central Serbia were investigated. Quantification of phenolics was done using ultra-high-performance liquid chromatography (UHPLC) coupled with a diode array detector and a triple-quadrupole mass spectrometer. Generally, red wines were characterised with higher phenolics content when compared to the white wines. This applies also for the total phenolics content (TPC) and radical scavenging activity (RSA) values. Among all the samples, the red wine from autochthonous Serbian variety ‘Prokupac’ stood out with unique composition, showing the highest TPC, RSA and the highest concentration of the individual phenolics. Finally, based on a specific phenolic pattern, principal component analysis (PCA) indicated clustering of red and white wines, with the ‘Prokupac’ as a prominent outlier.     

Comparative Thermodynamic Study of the Pb-Al Binary System

The results of a comparative thermodynamic study of the Pb-Al binary system: activities, activity coefficients, partial and integral molar quantities at 1000 K, obtained by experimental Oelsen calorimetry and thermodynamic predicting according to Chou for systems with miscibility gap are presented in this paper. Also, infinite dilution constants and interaction parameters at the mentioned temperature were determined by means of the Hajra method. This revised version was published online in July 2006 with corrections to the Cover Date.     

A new polymorph of 1‐ferrocenyl‐3‐(3‐nitroanilino)propan‐1‐one

Recrystallization of the title compound, [Fe(C₅H₅)(C₁₄H₁₃N₂O₃)], from a mixture of n‐hexane and dichloromethane gave the new polymorph, denoted (I), which crystallizes in the same space group (P) as the previously reported structure, denoted (II). The Fe—C distances in (I) range from 2.015 (3) to 2.048 (2) Å and the average value of the C—C bond lengths in the two cyclopentadienyl (Cp) rings is 1.403 (13) Å. As indicated by the smallest C—Cg1—Cg2—C torsion angle of 1.4° (Cg1 and Cg2 are the centroids of the two Cp rings), the orientation of the Cp rings in (I) is more eclipsed than in the case of (II), for which the value was 15.3°. Despite the pronounced conformational similarity between (I) and (II), the formation of self‐complementary N—H...O hydrogen‐bonded dimers represents the only structural motif common to the two polymorphs. In the extended structure, molecules of (I) utilize C—H...O hydrogen bonds and, unlike (II), an extensive set of intermolecular C—H...π interactions. Fingerprint plots based on Hirshfeld surfaces are used to compare the packing of the two polymorphs.     

Ultrasound‐Assisted Synthesis of 3‐(Arylamino)‐1‐ferrocenylpropan‐1‐ones

A successful aza‐Michael addition of arylamines to a conjugated enone, acryloylferrocene, has been achieved by ultrasonic irradiation of the mixture of these reactants and the catalyst, i.e., montmorillonite K‐10. This solvent‐free reaction, yielding ferrocene containing Mannich bases, 3‐(arylamino)‐1‐ferrocenylpropan‐1‐ones, considered as valuable precursors in organic synthesis, has been performed by using a simple ultrasonic cleaner. Among 17 synthesized β‐amino ketones, three were new ones, and these were fully characterized by spectroscopic means. X‐Ray crystallographic analysis of three of these crystalline products enabled the insight into the conformational details of these compounds. All compounds were evaluated for their antibacterial activities against six Gram‐positive and five Gram‐negative strains in a microdilution assay. The observed promising antibacterial activity (with a MIC value of 25 μg/ml (ca. 0.07 μmol/ml) as the best result for almost all tested compounds against Micrococcus flavus) seems not only to be compound but also bacterial species‐specific.     

Additive property of Drazin invertibility of elements in a ring

In this article, we investigate additive properties on the Drazin inverse of elements in rings. Under the commutative condition of ab?=?ba, we show that a?+?b is Drazin invertible if and only if 1?+?a ^D b is Drazin invertible. Not only the explicit representations of the Drazin inverse (a?+?b) ^D in terms of a, a ^D , b and b ^D , but also (1?+?a ^D b) ^D is given. Further, the same property is inherited by the generalized Drazin invertibility in a Banach algebra and is extended to bounded linear operators.     

On the algebraic closure in rings

The ``algebraic closure" of a subset of a ring is an algebraic analogue of topological closure.