Rapid Characterization of Bacterial Lipids with Ambient Ionization Mass Spectrometry for Species Differentiation

Ambient ionization mass spectrometry (AIMS) is both labor and time saving and has been proven to be useful for the rapid delineation of trace organic and biological compounds with minimal sample pretreatment. Herein, an analytical platform of probe sampling combined with a thermal desorption–electrospray ionization/mass spectrometry (TD-ESI/MS) and multivariate statistical analysis was developed to rapidly differentiate bacterial species based on the differences in their lipid profiles. For comparison, protein fingerprinting was also performed with matrix-assisted laser desorption ionization time-of-flight (MALDI-TOF) to distinguish these bacterial species. Ten bacterial species, including five Gram-negative and five Gram-positive bacteria, were cultured, and the lipids in the colonies were characterized with TD-ESI/MS. As sample pretreatment was unnecessary, the analysis of the lipids in a bacterial colony growing on a Petri dish was completed within 1 min. The TD-ESI/MS results were further performed by principal component analysis (PCA) and hierarchical cluster analysis (HCA) to assist the classification of the bacteria, and a low relative standard deviation (5.2%) of the total ion current was obtained from repeated analyses of the lipids in a single bacterial colony. The PCA and HCA results indicated that different bacterial species were successfully distinguished by the differences in their lipid profiles as validated by the differences in their protein profiles recorded from the MALDI-TOF analysis. In addition, real-time monitoring of the changes in the specific lipids of a colony with growth time was also achieved with probe sampling and TD-ESI/MS. The developed analytical platform is promising as a useful diagnostic tool by which to rapidly distinguish bacterial species in clinical practice.     

Characterization of Nano‐porous TiO2 Film Prepared by Sol‐gel Process and Its Application to Dye‐sensitized Solar Cell

In this paper, effects of ethylene glycol (EG) and indium tin oxide (ITO) solution on the morphology, porosity, and roughness of TiO₂ film prepared by sol‐gel process were investigated and discussed. Initially, the addition of EG were used to control the viscosity of the solution and it was found to increase the pore size of TiO₂ film. The various TiO₂ films were investigated and characterized by scanning electron microscopy (SEM) and atomic force microscopy (AFM) and then assembled to dye‐sensitized solar cell (DSSC) to measure the photoelectric conversion efficiency. The optimum efficiencies of 1.32% with J_sc and V_oc of 2.99 mA/cm² and 0.80 V, respectively, were obtained by the TiO₂ film prepared from a solution containing 20 wt% EG.     

Analysis and synthesis of switched nonlinear systems using the T–S fuzzy model

In this paper, the methods based on Lyapunov stability theorem to study the stability and switching law design for the T–S fuzzy switched systems with state-driven switching method are presented. Furthermore, these methods can be applied to cases when all individual systems are unstable. The PDC is employed to design fuzzy controllers from the T–S fuzzy models. The stabilization analysis is reduced to a problem of finding a common Lyapunov function for a set of linear matrix inequalities. Finally, a numerical example and an illustrative example based on the chemical process example are given to show the merits of the proposed approach, respectively.     

Charge‐transfer‐to‐solvent absorption spectra of I−(H2O)3–5 at a finite temperature via simulation

Ground‐state equilibrium Born–Oppenheimer molecular dynamics on I^?(H₂O)_3–5 clusters at ～200 K are performed to sample configurations for calculating the charge‐transfer‐to‐solvent (CTTS) absorption spectra for these clusters. When there are more water molecules in clusters, the calculated CTTS spectra are found to become more intense with the absorption maxima shifting to higher energies, which is in agreement with experimental results. In addition, compared with the findings for optimized structures, the absorption energies of the iodide 5p orbitals are red‐shifted at ～200 K because, on average, the distances between the iodide and the dangling hydrogen atoms are increased at finite temperatures which weakens the interactions between the iodide and water molecules in the clusters. Moreover, the number of ionic hydrogen bonds in the clusters are also reduced. However, it is found that all dangling hydrogen atoms must be considered to obtain a good correlation between the CTTS excitation energy and the average distance between the iodide and the dangling hydrogen atoms, which indicates the existence of the strong interactions of the CTTS electron with all of the dangling hydrogen atoms.     

Dirhodium-catalyzed phenol and aniline oxidations with T-HYDRO. Substrate scope and mechanism of oxidation

Dirhodium caprolactamate, Rh(2)(cap)(4), is a very efficient catalyst for the generation of the tert-butylperoxy radical from tert-butyl hydroperoxide, and the tert-butylperoxy radical is a highly effective oxidant for phenols and anilines. These reactions are performed with 70% aqueous tert-butyl hydroperoxide using dirhodium caprolactamate in amounts as low as 0.01 mol % to oxidize para-substituted phenols to 4-(tert-butyldioxy)cyclohexadienones. Although these transformations have normally been performed in halocarbon solvents, there is a significant rate enhancement when Rh(2)(cap)(4)-catalyzed phenol oxidations are performed in toluene or chlorobenzene. Electron-rich and electron-poor phenolic substrates undergo selective oxidation in good to excellent yields, but steric influences from bulky para substituents force oxidation onto the ortho position resulting in ortho-quinones. Comparative results with RuCl(2)(PPh(3))(3) and CuI are provided, and mechanistic comparisons are made between these catalysts that are based on diastereoselectivity (reactions with estrone), regioselectivity (reactions with p-tert-butylphenol), and chemoselectivity in the formation of 4-(tert-butyldioxy)cyclohexadienones. The data obtained are consistent with hydrogen atom abstraction by the tert-butylperoxy radical followed by radical combination between the phenoxy radical and the tert-butylperoxy radical. Under similar reaction conditions, para-substituted anilines are oxidized to nitroarenes in good yield, presumably through the corresponding nitrosoarene, and primary amines are oxidized to carbonyl compounds by TBHP in the presence of catalytic amounts of Rh(2)(cap)(4).     

A refined cellular automaton model to rectify impractical vehicular movement behavior

When implementing cellular automata (CA) into a traffic simulation, one common defect yet to be rectified is the abrupt deceleration when vehicles encounter stationary obstacles or traffic jams. To be more in line with real world vehicular movement, this paper proposes a piecewise-linear movement to replace the conventional particle-hopping movement adopted in most previous CA models. Upon this adjustment and coupled with refined cell system, a new CA model is developed using the rationale of Forbes’ et al. car-following concept. The proposed CA model is validated on a two-lane freeway mainline context. It shows that this model can fix the unrealistic deceleration behaviors, and thus can reflect genuine driver behavior in the real world. The model is also capable of revealing Kerner’s three-phase traffic patterns and phase transitions among them. Furthermore, the proposed CA model is applied to simulate a highway work zone wherein traffic efficiency (maximum flow rates) and safety (speed deviations) impacted by various control schemes are tested.     

Nanoscale deformation measurement by using the hybrid method of gray-level and holographic interferometry

This study extends the use of holographic interferometry to measure the nanoscale out-of-plane displacement with high surface resolution. It is noted that if the deformation is less than half of the optical wavelength, it is hard to find an obvious fringe pattern. Under such a situation, in general, the phase shift method is used. However, it needs to take more than 3 images for phase shifting and phase reconstruction In this paper, a more simple hybrid method of gray-level and holographic interferometry is used to extract fringe skeletons, in which it just needs to take one or two images for the normal deformation measurement directly, even if there exists no obvious fringe pattern. The displacement field with high surface resolution can also be obtained. The proposed method yielded a theoretical precision of 0.15 nm for out-of-plane displacement with a monochromatic CCD camera of 10-bit gray scale (1024 gray scales) sensitivity and microscale surface resolution for millimeter scale object with 640×480 pixels image resolution by an He–Ne LASER (632.8 nm wavelength) light source. The gray-level method is proposed to calculate the non-obvious interferometry fringe by traditional holographic interferometry hologram, and the result showed that this method works for this purpose.     

1.3 m m InGaAsN/ GaAs Lasers Grown by MOCVD Using TBAs and DMHy Sources

We have demonstrated InGaAsN/ GaAs single quantum well (SQW) lasers grown by MOCVD using TBAs and DMHy sources. For un-buffer-strained InGaAsN/ GaAs system, our SQW lasers of 1.3 m m range is among the best in terms of transparency and threshold current density.