Preparation and gas sensing activity of La and Y co-doped titania nanoparticles

Journal of Sol-Gel Science and Technology - A novel gas sensing material, La–Y co-doped TiO2 nanoparticles, was synthesized by sol–gel method and applied to detect organic pollutants...     

Ultrathin titania coating for high-temperature stable SiO2/Pt nanocatalysts

The facile synthesis of silica supported platinum nanoparticles with ultrathin titania coating to enhance metal-support interactions suitable for high temperature reactions is reported, as thermal and structure stability of metal nanoparticles is important for catalytic reactions.     

Investigation of combwax of honeybees with high-temperature gas chromatography and high-temperature gas chromatography-chemical ionization mass spectrometry. II: High-temperature gas chromatography-chemical ionization mass spectrometry

Crude combwax of six various honey bee species have been analyzed by high-temperature gas chromatography (HTGC)-chemical ionization mass spectrometry after a two-step silylation procedure. An optimized chromatographic procedure, described previously, enables the separation of high-molecular mass lipid compounds resulting in a characteristic fingerprint of the combwaxes of different honeybee species. The coupling of HTGC to mass spectrometry requires appropriate instrumentation in order to achieve sufficient sensitivity at high elution temperatures and avoid loss of chromatographic resolution. Chemical ionization was carried out using methane as reagent gas in order to determine the molecular mass of the individual compounds by means of abundant quasi molecular ions. To confirm the presence of unsaturated wax esters, ammonia was used as reagent gas. More than 80 lipid constituents were separated and characterized by their mass spectra. Representative chemical ionization mass spectra of individual compounds are presented. Both, HTGC-flame ionization detection data and the results of the HTGC-mass spectrometric investigations enabled a rapid profiling of the individual classes of compounds in crude combwaxes.     

Interaction of urea with amino acids: implications for urea-induced protein denaturation

The molecular mechanism of urea-induced protein denaturation is not yet fully understood. Mainly two opposing mechanisms are controversially discussed, according to which either hydrophobic, or polar interactions are the dominant driving force. To resolve this question, we have investigated the interactions between urea and all 20 amino acids by comprehensive molecular dynamics simulations of 22 tripeptides. Calculation of atomic contact frequencies between the amino acids and solvent molecules revealed a clear profile of solvation preferences by either water or urea. Almost all amino acids showed preference for contacts with urea molecules, whereas charged and polar amino acids were found to have slight preferences for contact with water molecules. Particularly strong preference for contacts to urea were seen for aromatic and apolar side-chains, as well as for the protein backbone of all amino acids. Further, protein-urea hydrogen bonds were found to be significantly weaker than protein-water or water-water hydrogen bonds. Our results suggest that hydrophobic interactions are the dominant driving force, while hydrogen bonds between urea and the protein backbone contribute markedly to the overall energetics by avoiding unfavorable unsatisfied hydrogen bond sites on the backbone. In summary, we suggest a combined mechanism that unifies the two current and seemingly opposing views.     

Performance of capillary columns for high-temperature gas chromatography

The developments in stationary-phase synthesis and capillary column technology have opened new perspectives in the analysis of high-molecular-weight compounds (600 daltons) and thermolabile organic compounds by high-temperature-high-resolution gas chromatography. This branch of high-resolution gas chromatography deals with analysis performed up to 390 degrees C oven temperature (with some applications going up to 420 degrees C and even a few applications to 450 degrees C maximum). The technique has been applied to many different fields of science (e.g., organic geochemistry, environmental chemistry, archeology, and natural product research). Apolar and medium-polar gum phases can now be operated at temperatures from 400 to 480 degrees C, but these higher temperatures are seldom used because of the thermostability of the material used to make the capillary tubing. This paper shows the performance of nine commercial high-temperature columns when used in routine applications.     

Investigation of combwax of honeybees with high-temperature gas chromatography and high-temperature gas chromatography-chemical ionization mass spectrometry. I. High-temperature gas chromatography.

The combwaxes of the honeybee species Apis mellifera, Apis cerana, Apis dorsata, Apis laboriosa, Apis florea and Apis andreniformis have been examined by high-temperature gas chromatography. Combwax consists of a complex mixture of homologous neutral lipids. These compounds containing up to 64 carbons were chromatographed intact on a 10 m x 0.2 mm high-temperature stable SOP-50-PFD (50%-diphenyl/50%-1H,1H,2H,2H-perfluorodecylmethylpolysiloxane)-co ated Duran glass capillary column. The use of this stationary phase results in lower retention values and, at last, in lower thermal stress of the analytes. In order to minimize the discrimination effect due to adsorption and/or degradation, a two-step derivatization was performed resulting in the formation of tert.-butyldimethylsilyl esters of the long chain fatty acids and trimethylsilyl ethers of complex hydroxyesters, respectively. The derivatization procedure was optimized using a modification of the extended Donike test. In addition this test allows the quantification of the thermal stability of the derivatives performed. The derivatization procedure was applied for combwax analysis. More than 80 compounds were separated and their peak areas semiquantitatively exploited.     

Portable instrument for electrochemical gas sensing

The instrument features up to four individual sensors, which may be used in the amperometric or voltammetric mode. A small pump is employed in order to make use of the enhanced sensitivity obtained with active transport of the sample gas to the sensor membranes. A Pt/air system serves as reference electrode. For the amperometric detection of acetaldehyde, as an example, a detection limit of 12 ppb was obtained. Several approaches to optimize selectivity and sensitivity are demonstrated on the portable, battery powered instrument. These include the use of a preconcentration trap for acetaldehyde and of chemical filters for the elimination of the interference of ozone on the measurement of NO, as well as voltammetric and concurrent measurements from two sensors in order to determine both NO and SO₂ in mixtures.     

Photocatalytic water purification: Destruction of resorcinol by irradiated titania

Ethanedial, butanoic acid anhydride and trihydroxybenzenes have been determined as intermediates of resorcinol photocatalytic oxidation. The photoreaction rate shows a 1st order dependence on resorcinol concentration. The calculated reaction rate constant is 2.1×10⁻⁸ mol dm⁻³ s⁻¹, which is similar to the rate constant of phenol photocatalytic oxidation on TiO₂ reported beore.     

碳-离子液体凝胶气敏材料响应性能的研究

随着我国国民经济的快速发展和国家安全的需要,及时、准确地对易燃、易爆、有毒、有害气体进行检测、预报和自动控制,是煤炭、石油、化工、电力、国家安全部门等急待解决的重要课题.同时在质量检测,生产监控特别是食品、化妆品、饮料和其他化学品中都要求能够开发出性能优良、方便耐用、小型多功能的新型气体传感器[1].其中气敏材料是传感器的核心,它决定传感器的选择性、灵敏度、线性度、稳定性等.因此,新功能敏感材料的开发及优化一直是传感器研究的热点.     

Interaction of NaCl with solid water

The interaction of NaCl with solid water, deposited on tungsten at 80 K, was investigated with metastable impact electron spectroscopy (MIES) and ultraviolet photoelectron spectroscopy (UPS) (He I). We have studied the ionization of Cl(3p) and the 1b(1), 3a(1), and 1b(2) bands of molecular water. The results are supplemented by first-principles density functional theory (DFT) calculations of the electronic structure of solvated Cl(-) ions. We have prepared NaCl/water interfaces at 80 K, NaCl layers on thin films of solid water, and H(2)O ad-layers on thin NaCl films; they were annealed between 80 and 300 K. At 80 K, closed layers of NaCl on H(2)O, and vice versa, are obtained; no interpenetration of the two components H(2)O and NaCl was observed. However, ionic dissociation of NaCl takes place when H(2)O and NaCl are in direct contact. Above 115 K solvation of the ionic species Cl(-) becomes significant. Our results are compatible with a transition of Cl(-) species from an interface site (Cl in direct contact with the NaCl lattice) to an energetically favored configuration, where Cl species are solvated. The DFT calculations show that Cl(-) species, surrounded by their solvation shell, are nevertheless by some extent accessed by MIES because the Cl(3p)-charge cloud extends through the solvation shell. Water desorption is noticeable around 145 K, but is not complete before 170 K, about 15 K higher than for pure solid water. Above 150 K the NaCl-induced modification of the water network gives rise to gas phase like structures in the water spectra. In particular, the 3a(1) emission turns into a well-defined peak. This suggests that under these conditions water molecules interact mainly with Cl(-) rather than among themselves. Above 170 K only Cl is detected on the surface and desorbs around 450 K.     

Interaction of CsF with multilayered water

The interaction of CsF with multilayered water has been investigated with metastable impact electron spectroscopy (MIES) and ultraviolet photoelectron spectroscopy with HeI (UPS(HeI)). We have studied the emission from the ionization of H2O states 1b1, 3a1, and 1b2; of Cs5p and of F2p. We have prepared CsF-H2O interfaces, namely, CsF layers on thin films of multilayered water and vice versa; they were annealed between 80 and about 280 K. Up to about 100 K, a closed CsF layer can be deposited on H2O and vice versa; no interpenetration of the two components H2O and CsF could be observed. Above 110 K, CsF (H2O) layers deposited on thin H2O (CsF) films (stoichiometry CsF.1.5H2O) gradually transform into a mixed layer containing F, Cs, and H2O species. When annealing, H2O molecules can be detected up to 200 K from the mixed F-Cs-H2O layer (while for pure H2O desorption is essentially complete at 165 K); a water network is not formed under these conditions, and all H2O molecules are involved in bonding with Cs+ and F- ions. When CsF is deposited at 120 K on sufficiently thick water multilayers, full solvation of both F and Cs takes place, even for the species closest to the surface, as long as the stoichiometry remains CsF.(H2O)n with n > 3.     

Formaldehyde gas sensing chip based on single-walled carbon nanotubes and thin water layer

We report a unique gaseous formaldehyde sensing chip based on a combination between patterned single-walled carbon nanotube field effect transistors and a precisely controlled aqueous layer with photopolymerized polyelectrolytic gels. The proposed system reliably detects 0.1 ppb level formaldehyde gas, suggesting a new type of indoor air quality monitoring device.     

Ordered porous metal oxide semiconductors for gas sensing

This review gives a comprehensive summary about the porous metal oxides with focus on the synthesis methods, structure related properties, as well as the modification strategies for gas sensing improved performances.     

Metal-doped ethylene complexes for hazardous gas molecule sensing

Structural Chemistry - Adsorption of hazardous gas molecules viz. NH3, HCN and Cl2 on C2H4M (M?=?Li, Ti) complex is studied using first-principle calculations and atom-centred density...     

Interaction of methanol with amorphous solid water

The interaction of methanol (MeOH) with amorphous solid water (ASW) composed of D2O molecules, prepared at 125 K on a polycrystalline Ag substrate, was studied with metastable-impact-electron spectroscopy, reflection-absorption infrared spectroscopy, and temperature-programmed desorption mass spectroscopy. In connection with the experiments, classical molecular dynamics (MD) simulations have been performed on a single CH3OH molecule adsorbed at the ice surface (T=190 K), providing further insights into the binding and adsorption properties of the molecule at the ice surface. Consistently with the experimental deductions and previous studies, MeOH is found to adsorb with the hydroxyl group pointing toward dangling bonds of the ice surface, the CH3 group being oriented upwards, slightly tilted with respect to the surface normal. It forms the toplayer up to the onset of the simultaneous desorption of D2O and MeOH. At low coverage the adsorption is dominated by the formation of two strong hydrogen bonds as evidenced by the MD results. During the buildup of the first methanol layer on top of an ASW film the MeOH-MeOH interaction via hydrogen-bond formation becomes of importance as well. The interaction of D2O with solid methanol films and the codeposition of MeOH and D2O were also investigated experimentally; these experiments showed that D2O molecules supplied to a solid methanol film become embedded into the film.