Constituents with independence from growth temperature for bacteria using pyrolysis-gas chromatography/differential mobility spectrometry with analysis of variance and principal component analysis

Four bacteria, Escherichia coli, Pseudomonas aeruginosa, Staphylococcus warneri, and Micrococcus luteus, were grown at temperatures of 23, 30, and 37 degrees C and were characterized by pyrolysis-gas chromatography/differential mobility spectrometry (Py-GC/DMS) providing, with replicates, 120 data sets of retention time, compensation voltage, and ion intensity, each for negative and positive polarity. Principal component analysis (PCA) for 96 of these data sets exhibited clusters by temperature of culture growth and not by genus. Analysis of variance was used to isolate the constituents with dependences on growth temperature. When these were subtracted from the data sets, Fisher ratios with PCA resulted in four clusters according to genus at all temperatures for ions in each polarity. Comparable results were obtained from unsupervised PCA with 24 of the original data sets. The ions with taxonomic features were reconstructed into 3D plots of retention time, compensation voltage, and Fisher ratio and were matched, through GC-mass spectrometry (MS), with chemical standards attributed to the thermal decomposition of proteins and lipid A. Results for negative ions provided simpler data sets than from positive ions, as anticipated from selectivity of gas phase ion-molecule reactions in air at ambient pressure.     

Density functional theory of freezing of a system of conjugated oligomers parameterised via Gay–Berne potential

Density functional theory (DFT) of freezing is used to study the isotropic–nematic, isotropic–smectic A and nematic–smectic A phase transitions in a system of large, semi-flexible conjugated oligomers parameterised within Gay–Berne (GB) potential. The pair correlation functions of the isotropic fluid, used as structural inputs in the DFT, are calculated by solving the Percus–Yevick integral equation theory. Large number of spherical harmonic coefficients of each orientation-dependent functions has been considered to ensure the numerical accuracy at different densities and temperatures for the system of these model GB ellipsoids having large aspect ratio (length-to-breadth ratio). We found that the system of GB ellipsoids parameterised for conjugated oligomers shows stable isotropic, nematic and smectic A phases. At low temperatures, on increasing the density, isotropic fluid makes a direct transition to smectic A phase. Nematic phase get stabilised in between the isotropic and smectic A phases on increasing the temperature. Using the transition parameter obtained through the DFT, we have plotted the temperature–density and pressure–temperature phase diagrams which are found to be qualitatively similar to the one obtained in simulations for the systems with low aspect ratio GB particles.     

High-performance thin-layer chromatographic analysis for the simultaneous quantification of lupeol and ursolic acid in the methanolic fraction of four different species of Bauhinia

JPC – Journal of Planar Chromatography – Modern TLC - A high-performance thin-layer chromatography (HPTLC) method for the simultaneous quantitative determination of lupeol and ursolic...     

Modifications in track registration response of PADC detector by energetic protons

It has been well established that different ionising radiations modify the track registration properties of dielectric solids. In an effort to study the response of Polyallyl diglycol carbonate (PADC Homalite) detector towards fission fragment, PADC detectors were exposed to 10⁴ Gy dose of 62 MeV protons and then one set of samples were exposed to fission fragments from a ²⁵²Cf source. Two of these detectors were containing a thin layer of Buckminsterfullerene (C₆₀). The study of the etched tracks by Leitz Optical Microscope reveals that the track diameters are enhanced by more than 70% in the proton irradiated zone as compared to that in the unirradiated zone. Scanning Electron Microscopy was performed after etching the sample in 6 N NaOH at 55°C for different etching times, to study the details of the surface modifications due to proton irradiation of PADC detectors with and without C₆₀ layer. Our observations revealed that the diameters and density of proton tracks have increased with etching time on the surface facing the fullerene layer as well as the other surface. However, a relatively more open structure of the etched surface containing C₆₀ as compared to the bare one may be an indication of the extra damage caused by the energy released upon the destruction of C₆₀ molecules by energetic protons.     

Application of spectroscopic techniques for monitoring microbial diversity and bioremediation

Microbes are the most fascinating group, with huge diversity devising myriad functional applications in the field of medicine, pharmaceuticals, environmental remediation, and industries. Quantitative and qualitative determination of biomolecules and microbial assisted phenomena by spectroscopy is a pioneer approach. It facilitates the study of atomic and molecular geometries, energy levels, chemical bonds, and interactions between molecules and microbes. It produces fingerprints of the microbial species serving to characterize, differentiate, and identify microorganisms, in both the environment and at single-cell level. Spectroscopy-based bioremediation techniques like Fourier transform infrared spectroscopy, mass spectroscopy, force spectroscopy, Raman spectroscopy, photoemission spectroscopy, and laser-induced breakdown spectroscopy have been very well represented and linked with the microbial applications. This review summarizes the traditional spectroscopic techniques used for the study of microbes and microbial-assisted products as well as illustrates its application in the field of microbial diversity and remediation. This will provide an outlook for the intricate characterization and dimension of microbes to be used for effective application in bioremediation.     

Quantum-chemical calculation on 5-phenyl-2-(4-pyridyl)pyrimidine

The molecular geometry and vibrational frequencies of 5-phenyl-2-(4-pyridyl)pyrimidine in the ground state have been calculated by the density functional theory with B3LYP/6-311G(d) as the basis set. The observed frequencies of 5-phenyl-2-(4-pyridyl)pyrimidine and those calculated are nearly the same. The form of the modes for all fundamentals is based on potential energy distribution calculations.     

Energy transfer in Er:Eu:Yb co-doped tellurite glasses: Yb as enhancer and quencher

Energy transfer has been studied from Er³⁺ to Eu³⁺ ions on excitation with NIR photons (796 and 980 nm) with and without Yb³⁺ ions. It is found that in one case the presence of Yb³⁺ enhances the fluorescence yield (980 nm excitation) whereas in the other case it quenches (796 nm excitation). Energy transfer from Er³⁺ ion's levels ⁴S_3/2 and ²H_11/2 is verified by decay curve analysis in both the cases. The nature of interaction between the donor (Er) and the acceptor (Eu) ions is found to be dipole-dipole. The energy transfer parameters viz. transfer probability, critical distance etc. have been calculated.     

Chern–Simons classes for a superconnection

In this note we define the Chern–Simons classes of a flat superconnection, D+L$D+L$, on a complex Z/2Z$\mathbb{Z}/2\mathbb{Z}$-graded vector bundle E$E$ on a manifold such that D$D$ preserves the grading and L$L$ is an odd endomorphism of E$E$. As an application, we obtain a definition of Chern–Simons classes of a (not necessarily flat) morphism between flat vector bundles on a smooth manifold. An application of Reznikov's theorem shows the triviality of these classes when the manifold is a compact Kähler manifold or a smooth complex quasi-projective variety in degrees >1$>1$.