Synthesis of metabolites of paracetamol and cocaine via photooxidation on TiO2 catalyzed by UV light.

Prediction and synthesis of drug metabolites generated by photodegradation using TiO(2)/UV system in aqueous solution was performed to monitor illicit drugs and to support legal actions against drug dealers. Metabolism of paracetamol and cocaine applied as exemplary compounds was monitored by liquid chromatography mass spectrometry (LC-MS/MS) and direct analysis by electrospray ionization mass spectrometry (ESI-MS/MS). The experiments proved that simulated metabolic pathways of the drug samples are efficient and lead to the formation of products that are observed using living organisms or hepatocyte microsomal preparations. Routinely, TiO(2) nanopowders are used for complete degradation of unwanted waste to protect environment. We applied such system for prediction of potential metabolites of harmful substances, such as cocaine. The results demonstrate that TiO(2)/UV oxidative system can be an efficient, complementary method to the in vivo approaches to obtain important metabolites for further studies. Investigations using such methodology may be helpful for toxicologists providing a vital knowledge on metabolites derived from e.g. newly introduced cognitive enhancers (designer drugs), and home-made substances prepared from the over-the-counter tablets (legal highs).

Effect of Nb doping on structural, optical and photocatalytic properties of flame-made TiO2 nanopowder.

TiO(2):Nb nanopowders within a dopant concentration in the range of 0.1-15 at.% were prepared by one-step flame spray synthesis. Effect of niobium doping on structural, optical and photocatalytic properties of titanium dioxide nanopowders was studied. Morphology and structure were investigated by means of Brunauer-Emmett-Teller isotherm, X-ray diffraction and transmission electron microscopy. Diffuse reflectance and the resulting band gap energy were determined by diffuse reflectance spectroscopy. Photocatalytic activity of the investigated nanopowders was revised for the photodecomposition of methylene blue (MB), methyl orange (MO) and 4-chlorophenol under UVA and VIS light irradiation. Commercial TiO(2)-P25 nanopowder was used as a reference. The specific surface area of the powders was ranging from 42.9 m(2)/g for TiO(2):0.1 at.% Nb to 90.0 m(2)/g for TiO(2):15 at.% Nb. TiO(2):Nb particles were nanosized, spherically shaped and polycrystalline. Anatase was the predominant phase in all samples. The anatase-related transition was at 3.31 eV and rutile-related one at 3.14 eV. TiO(2):Nb nanopowders exhibited additional absorption in the visible range. In comparison to TiO(2)-P25, improved photocatalytic activity of TiO(2):Nb was observed for the degradation of MB and MO under both UVA and VIS irradiation, where low doping level (Nb < 1 at.%) was the most effective. Niobium doping affected structural, optical and photocatalytic properties of TiO(2). Low dopant level enhanced photocatalytic performance under UVA and VIS irradiation. Therefore, TiO(2):Nb (Nb < 1 at.%) can be proposed as an efficient selective solar light photocatalyst.

Differences in electrophysical and gas sensing properties of flame spray synthesized Fe2O3(gamma-Fe2O3 and alpha-Fe2O3).

Nanoscaled Fe2O3 powders as candidates for gas sensing material for hydrogen detection were synthesized by the high temperature flame spray assisted combustion of ferrocene dissolved in benzene. X-ray diffraction (XRD) and selected area electron diffraction (SAED) show that the as prepared nanopowder consists of maghemite (gamma-Fe2O3) with low crystallinity. Thermal post-treatment causes a phase transformation towards hematite (alpha-Fe2O3) accompanied by an increase in the crystallinity. Upon exposure to air and hydrogen at elevated temperatures, both phases show a significant variation of conductivity and activation energy-as evidenced by impedance spectra-and thus a favorable sensor response, surpassing even that of flame-synthesized nanocrystalline tin dioxide. The conductivity has been identified as of electronic origin, affected by trap states located in the region adjacent to grain boundaries. Quantitative analysis of the impedance spectra with equivalent circuits shows that the conductivity is thermally activated and affected by the interaction of hydrogen with the sensor material. The calculated Debye screening length of gamma-Fe2O3 and alpha-Fe2O3 is about 27 nm and 16 nm, respectively, what contributes significantly to the sensitivity of the material. Gamma-Fe2O3 and alpha-Fe2O3 exhibit high sensor response towards hydrogen in a wide concentration range. Gamma-Fe2O3 shows n-type semiconducting behavior up to 573 K. Alpha-Fe2O3 shows p-type semiconducting behavior, as reflected in the dynamic changes of the resistivity. For both sensor materials, 523 K was the optimal operating temperature.