Characterization of BCN films synthesized by radiofrequency plasma enhanced chemical vapor deposition

Boron carbonitride (BCN) films have been synthesized on Si(1 0 0) substrate by radio frequency plasma enhanced chemical vapor deposition using tris-(dimethylamino)borane (TDMAB) as a precursor. The deposition was performed at the different RF powers of 400-800 W, at the working pressure of 2×10⁻¹ Torr. The formation of the sp²-bonded BCN phase was confirmed by Fourier transform infrared spectroscopy. X-ray photoelectron spectroscopy measurements showed that B atoms were bonded to C and N atoms to form the BCN atomic hybrid configurations with the chemical compositions of B₅₂C₁₂N₃₆ (sample 1; prepared at the RF power of 400 W), B₅₂C₁₀N₃₈ (sample 2; at 500 W) and B₄₆C₁₈N₃₆ (sample 3; at 800 W), respectively. Near-edge X-ray absorption fine structure (NEXAFS) measurements indicated that B atoms were bonded not only to N atoms but also to C atoms to form various configurations of sp²-BCN atomic hybrids. The polarization dependence of NEXAFS suggested that the predominant hybrid configuration of sp²-BCN films oriented in the direction perpendicular to the Si substrate.     

New (3+1)‐dimensional nonlinear equations with KdV equation constituting its main part: multiple soliton solutions

In thiswork,we present two new(3+1)‐dimensional nonlinear equationswith Korteweg‐de Vries equation constituting its main part. We show that the dispersive relation is distinct for each model, whereas the phase shift remains the same. We determine multiple solitons solutions, with distinct physical structures, for each established equation. The architectures of the simplified Hirota's method is implemented in this paper. The constraint conditions that fall out which must remain valid in order for themultiple solitons to exist are derived.Copyright © 2015 John Wiley & Sons, Ltd.     

Laser bending of AISI 304 steel sheets: Thermal stress analysis

Laser induced bending of steel sheet is carried out and thermal stress developed in the heated region is examined. Temperature and stress fields are predicted using the finite element model. The microstructural changes in the melted region are investigated through scanning electron microscope, energy dispersive spectroscopy and X-ray diffraction. The residual stress developed at the surface vicinity of the laser treated region is measured using the X-ray diffraction technique, which is then compared with its counterpart predicted from the simulations. It is found that the residual stress at the surface vicinity is compressive and the prediction of the residual stress agrees well with that obtained from the X-ray diffraction technique. In addition, surface temperature predictions are in good agreement with the thermocouple data. The laser treated region is free from major cracks and large cavities.     

Effects of ultrasound on growth, bioconversion of isoflavones and probiotic properties of parent and subsequent passages of Lactobacillus fermentum BT 8633 in biotin-supplemented soymilk

This study aimed to evaluate the effects of ultrasound on Lactobacillus fermentum BT 8633 in parent and subsequent passages based on their growth and isoflavone bioconversion activities in biotin-supplemented soymilk. The treated cells were also assessed for impact of ultrasound on probiotic properties. The growth of ultrasonicated parent cells increased (P < 0.05) by 3.23-9.14% compared to that of the control during fermentation in biotin-soymilk. This was also associated with enhanced intracellular and extracellular (8.4-17.0% and 16.7-49.2%, respectively; P < 0.05) β-glucosidase specific activity, leading to increased bioconversion of isoflavones glucosides to aglycones during fermentation in biotin-soymilk compared to that of the control (P < 0.05). Such traits may be credited to the reversible permeabilized membrane of ultrasonicated parent cells that have facilitated the transport of molecules across the membrane. The growing characteristics of first, second and third passage of treated cells in biotin-soymilk were similar (P > 0.05) to that of the control, where their growth, enzyme and isoflavone bioconversion activities (P > 0.05) were comparable. This may be attributed to the temporary permeabilization in the membrane of treated cells. Ultrasound affected probiotic properties of parent L. fermentum, by reducing tolerance ability towards acid (pH 2) and bile; lowering inhibitory activities against selected pathogens and reducing adhesion ability compared to that of the control (P < 0.05). The first, second and third passage of treated cells did not exhibit such traits, with the exception of their bile tolerance ability which was inherited to the first passage (P < 0.05). Our results suggested that ultrasound could be used to increase bioactivity of biotin-soymilk via fermentation by probiotic L. fermentum FTDC 8633 for the development of functional food.     

Computing topological indices of Sudoku graphs

In QSAR/QSPR study, physico-chemical properties and topological indices such as Randi?, atom-bond connectivity (ABC) and geometric-arithmetic (GA) index are used to predict the bioactivity of chemical compounds. A topological index is actually designed by transforming a chemical structure into a numeric number. These topological indices correlate certain physico-chemical properties like boiling point, stability, strain energy etc. of chemical compounds. Graph theory has found a considerable use in this area of research. The topological indices of certain interconnection networks were studied recently by Imran et al. (Appl Math Comput 244:936–951, 2014). In this paper, we extend this study to \(n\times n\) Sudoku graphs and derive analytical closed results of general Randi? index \(R_{\alpha }(G)\) for different values of “\(\alpha \)” for Sudoku (SK). We also compute the general Randi?, first Zagreb, ABC, GA, \(ABC_{4}\) and \(GA_{5}\) indices and give closed formulae of these indices for Sudoku graphs.     

Theoretical and experimental investigations of complexation with BF3.Et2O effects on electronic structures,energies and photophysical properties of Anil and tetraphenyl (hydroxyl) imidazol

The novel compounds (E)‐2‐(((4‐hydroxyphenyl)imino)methyl)phenol, Tetraphenyl (hydroxyl) imidazole and their corresponding Boron difluoride complexes were synthesized and characterized by spectroscopic techniques. Density functional theory calculations at B3LYP‐D3/6–311++G (d, p) level of theory were performed for the geometric parameters. The MEP surface studies were used to understand the behavior of molecules in terms of charge transfer and to determine how these molecules interact. We used the GIAO and the B3LYP‐D3 with a 6–311++ G (d, p) basis set to simulate the (¹H‐NMR and ¹⁹F‐NMR) and the IR spectra, respectively. The corresponding calculated results are in good agreement with the experimental data. The stability of the molecule arising from hyperconjugation interaction and charge delocalization were analyzed using NBO analysis. FMOs revealed the occurrence of charge transfer within the molecule. The complexation using BF₃.Et₂O was also found to have remarkable effects on the electrochemical properties of the studied molecules, where (b) and (d) present lower chemical stability, higher reactivity and higher polarizability than (a) and (c), respectively. Moreover, the energy gap of (a) and (c) decreased after complexation using BF₃.Et₂O, indicating the reliability of the electrochemical evaluation of LUMO and HOMO energy levels. These values are the factors explaining the possible charge transfer interaction within the molecule. The absorption and emission spectra of the model compound were also simulated and compared to experimental observations in the DMF solvent. The results of DFT calculations supported the structural and spectroscopic data and confirmed the structure modification of frontier molecular orbitals for BF₂ complexes as well as tunable potentials and energy levels.     

The gas-phase on-line production of vanadium oxytrihalides, VOX3 and their identification by infrared spectroscopy

A new route has been devised, leading to the production of VOX₃ molecules where X=F, Br and I by an on-line process using vanadium oxytrichloride, VOCl₃ as a starting compound passed over the following heated salts NaF, KBr and KI at 375, 700 and 550°C, respectively. The products have been characterized by the IR spectra of their vapors. The low resolution gas phase on-line Fourier transform infrared spectra reported for the first time show strong bands with PQR type structure, centered at 1058, 1035, 1030 and 1025 cm⁻¹ assigned to the ν₁(a₁), the O=V stretching fundamental mode of VOF₃, VOCl₃, VOBr₃ and VOI₃, respectively.     

4-(4'-Methyltetrafluorophenyl)-2,3,5,6-tetrafluorobenzyl bromide: a new electrophoric derivatizing reagent

Commercially-available 4,4'-dimethyloctafluorobiphenyl was converted in a single step to 4-(4'-methyltetrafluorophenyl)-2,3,5,6-tetrafluorobenzyl bromide (MTFP-TFBBr) for the purpose of providing a new electrophoric derivatizing reagent. When reacted with this reagent, 2-fluoro-O6-(2'-hydroxyethyl)hypoxanthine, a model analyte, gave a mixture of isomeric products (apparently substituted at N7 and N9, analogous to its known reaction with pentafluorobenzyl bromide), and 53 femtograms of the mixture was detected at S/N = 10 by gas chromatography electron capture mass spectrometry (GC-EC-MS). As intended, the volatility of the MTFB-TFBBr derivative was much less (two-fold) than that of the corresponding pentafluorobenzyl derivative. It is anticipated that MTFB-TFBBr sometimes will be useful in providing an electrophoric derivative that encounters less background noise in analysis by electrophore derivatization/GC-EC-MS.     

Dendritic cell internalization of foam-structured fluorescent mesoporous silica nanoparticles

In this paper, foam-structured fluorescent mesoporous silica nanoparticles (FMSNs) are produced in a sol-gel method with the introduction of a phosphonate functional group. It is found that the phosphonate functionalized FMSNs with the foam structure minimizes the aggregation of FMSNs in solution. The average particle size of the FMSNs without and with phosphonate functionalization is 46.3 ± 5 nm and 60.5 ± 8 nm in diameter, respectively. The latter one exhibits higher fluorophore loading capacity (~67 ± 2.5%). The excitation wavelength (λ(ex)) of FMSNs is observed at 526 nm, approximate 12 nm larger in the Stoke-shift compared to the free organic dye at 494/514 nm. Furthermore, the photostability of the hydrophobic fluorophore is greatly improved by the FMSNs with the foam structure. In addition, the dose-dependent nature of FMSN uptake is assessed for the immune cells, the bone marrow-derived dendritic immune cells (BMDCs). Our results indicate that approximately 42% of BMDCs are able to take up foam-structured FMSNs (>5 μg/ml) without decreasing the viability of BMDCs. Thus, the phosphonate functionalized FMSNs with the foam structure are suitable to be used for many biomedical applications, especially in cell tracking.     

Longitudinal distribution of trace elements in the atmosphere of an industrial area from neutron activation analysis

Industrial units play a significant role in atmospheric pollution. Industrial exhausts deteriorate the atmospheric quality causing unhygienic environment for the people working in the vicinity. This work presents a study of the longitudinal distribution of trace elements of the Sheikhupura industrial area. Three kinds of distribution patterns were observed and are discussed in detail. The results are based on the neutron activation analysis of 16 trace elements.