Quality control of uranium concentration measurements

Quality assurance and quality control are necessary to ascertain the output of any instrument with a certain level of confidence and maintain the measurement process in a state of statistical control. Data generated by three laser fluorimeters, used for analysing mass concentration of total uranium in liquid samples, were used in the present study. Erroneous data values, called outliers, were detected by Dixon test, Discordance outlier test, Rosner outlier test and Box plot. The distribution fitted to the data, was tested by Kolmogorov–Smirnov test, Chi-square test and Shapiro–Wilks test. From Shewart Control Charts it was concluded that the instruments were not in statistical control and an instrumental problem existed. The instrumental problem was solved and the instruments were subjected to quality control exercise again. Statistical parameters of the data from the detectors were compared before and after servicing. The improvement of the quality of detector output was evident.     

Wavelet based schemes for linear advection-dispersion equation

In this paper, two wavelet based adaptive solvers are developed for linear advection-dispersion equation. The localization properties and multilevel structure of the wavelets in the physical space are used for adaptive computational methods for solution of equation which exhibit both smooth and shock-like behaviour. The first framework is based on wavelet-Galerkin and the second is based on multiscale decomposition of finite element method. Coiflet wavelet filter is incorporated in both the methods. The main advantage of both the adaptive methods is the elimination of spurious oscillations at very high Peclet number.     

Photosensitizing mechanism and identification of levofloxacin photoproducts at ambient UV radiation

Levofloxacin (LVFX) is a broad spectrum third generation fluoroquinolone antibiotic, used in the treatment of severe or life-threatening bacterial infections. Photosensitizing mechanism of LVFX was investigated under the ambient environmental intensities of UV-A, UV-B and sunlight exposure. Phototoxic effects of LVFX were assessed on NIH-3T3 and HaCaT cell lines. Results identified first time three photoproducts of LVFX at ambient levels of UV-R by LC-MS/MS. The generation of reactive oxygen species (ROS) was investigated photochemically as well as intracellularly in HaCaT cell line. ROS were significantly quenched by specific quenchers like DABCO, NaN(3), D-mannitol and NAC. Photosensitized LVFX caused lipid peroxidation at different concentrations. Quenching study with superoxide dismutase confirms the LVFX-induced lipid photoperoxidation. Further, photocytotoxicity of LVFX showed significant reduction in cell viability by MTT and neutral red uptake assays. LVFX caused cell arrest in G2/M phases as well as induced apoptosis through ROS-dependent pathway. In addition, photosensitized LVFX also induced upregulation of p21 and Bax/Bcl-2 genes ratio. India is a tropical country and most of the human activities such as agriculture, commerce, sports, etc. take place in bright sunlight; therefore, photosensitive LVFX may lead to skin/ocular disorders and immune suppression. Information is needed regarding the phototoxicity of LVFX for human safety.     

Topological surface states of Bi2Te2Se are robust against surface chemical modification

The robustness of the Dirac‐like electronic states on the surfaces of topological insulators (TIs) during materials process‐ing is a prerequisite for their eventual device application. Here, the (001) cleavage surfaces of crystals of the topological insulator Bi₂Te₂Se (BTS) were subjected to several surface chemical modification procedures that are common for electronic materials. Through measurement of Shubnikov–de Hass (SdH) oscillations, which are the most sensitive measure of their quality, the surface states of the treated surfaces were compared to those of pristine BTS that had been exposed to ambient conditions. In each case – surface oxidation, deposition of thin layers of Ti or Zr oxides, or chemical modification of the surface oxides – the robustness of the topological surface electronic states was demonstrated by noting only very small changes in the frequency and amplitude of the SdH oscillations. (© 2014 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)     

Structural and vibrational studies of molecular conductors using quantum mechanical methods: 1,3-Dithiole-2-thione, 1,3-dithiole-2-one, 1,3-dioxole-2-one and 1,3-dioxole-2-thione

Computations were carried out by employing the RHF and density functional theory (DFT) methods to investigate the geometries, atomic charges, harmonic vibrational frequencies for the 1,3-dithiole-2-thione (DTT), 1,3-dithiole-2-one (DTO), 1,3-dioxole-2-thione (DOT) and 1,3-dioxole-2-one (DOO) molecules and their radical cations. The geometrical parameters and atomic charges on various atomic sites of the DTT and DOT molecules and their radical cations suggest extended conjugation in these systems. Contrary to this, for the DOO⁺ and DTO⁺ ions there is no evidence in favour of such conjugation, however, the neutral molecules exhibit some conjugation. Harmonic forced field and vibrational mode calculations provided convincing theoretical evidence for the reassignment of some fundamental vibrational modes for all the four molecules. In going from the neutral species to the charged ions for all the four cases the CC stretching frequency is found to decrease drastically. The CS stretching frequency reduces drastically for the DTT and DOT molecules as compared to their radical cations whereas the CO stretching frequency is found to increase in going from the neutral molecule to its radical cation for the DOO and DTO molecules. The ring stretching mode with a₁ symmetry and CC and CO/S stretching modes in these molecules appear to help in conversion of neutral molecule into respective radical cation and neighbouring radical cation into respective neutral molecule. Thus, there appears the feasibility of stretching vibrational mode coupling with electron transfer.     

De Launay's angular force model for β-SiC

Phonon dispersion relations of β-SiC along [100] and [111] directions have been calculated using de Launay's angular force model. The noteworthy features of the present approach are that the number of parameters used is comparatively smaller and Si-Si and C-C interactions are taken to be different. The agreement between the theoretical and experimental results is reasonably good.     

Generation of high-order harmonics of femtosecond radiation from the surface of various media

The results of study of high-order harmonic generation from the surfaces of various materials by using femtosecond radiation with a variable chirp are presented. The analysis and optimization of radiation conversion into harmonics up to the fifteenth order (λ = 52.9 nm) are carried out. It is shown that the maximum conversion efficiency is realized for the surfaces of silver and glass. The wavelength of harmonics can be tuned over the 2-nm range by changing the chirp of the radiation converted.     

Competitive adsorption isotherm modelling of heterocyclic nitrogenous compounds,pyridine and quinoline,onto granular activated carbon and bagasse fly ash

In the present study, simultaneous adsorption of quinoline and pyridine onto adsorbents such as granular activated carbon (GAC) and bagasse fly ash (BFA) from pyridine–quinoline binary aqueous solution was studied at various temperatures (288–318 K). Gathered equilibrium adsorption data were further analysed using various multicomponent competitive isotherm models such as non-modified and modified competitive Langmuir isotherms, extended-Langmuir isotherm, extended-Freundlich model, Sheindorf–Rebuhn–Sheintuch (SRS) model, and non-modified and modified competitive Redlich–Peterson isotherm model. It was observed that increase in pyridine concentration decreased the total adsorption yield and the individual adsorption yield for both the quinoline and pyridine for both the adsorbents GAC and BFA at all the temperatures studied. Identical trend was observed during the equilibrium uptake of pyridine on to GAC and BFA with an increase in quinoline concentration. The extended-Freundlich model satisfactorily represented the binary adsorption equilibrium data of quinoline and pyridine onto GAC and BFA.     

Rapid method for measuring plasma low-density lipoprotein turnover using high-performance gel exclusion chromatography

High-performance gel exclusion chromatography using flow-through radioactivity monitoring was employed for rapid measurement of low-density lipoprotein (LDL) turnover. Iodinated LDL was injected into five fasting rabbits. Serial blood samples were obtained and small aliquots (0.1-0.2 ml) were injected into the chromatographic system using 0.2 M Tris-acetate buffer (pH 7.0). Radioactivity in lipoproteins was measured by an on-line gamma counter (Flo-One) attached to the high-performance liquid chromatograph and in a regular gamma counter after collecting the fractions. Sequential ultracentrifugation was also used to separate lipoproteins, and the radioactivity in each fraction was measured. The Flo-One method was faster; however, the efficiency of Flo-One varied with the amount of radioactivity and therefore it was necessary to inject the same amount of radioactivity to get comparable values.