Proteogenomics involves the use of MS to refine annotation of protein-coding genes and discover genes in a genome. We carried out comprehensive proteogenomic analysis of Methylobacterium extorquens AM1 (ME-AM1) from publicly available proteomics data with a motive to improve annotation for methylotrophs; organisms capable of surviving in reduced carbon compounds such as methanol. Besides identi...

In the methylotrophic bacterium Methylobacterium extorquens strain AM1, MxaF, a Ca(2+)-dependent methanol dehydrogenase (MDH), is the main enzyme catalyzing methanol oxidation during growth on methanol. The genome of strain AM1 contains another MDH gene homologue, xoxF1, whose function in methanol metabolism has remained unclear. In this work, we show that XoxF1 also functions as an MDH and is ...

Nowadays NMR spectroscopy becomes a powerful tool in chemistry because of the NMR chemical shifts. Hartree–Fock theory and the Gauge-including atomic orbital (GIAO) methods are used in the calculation of 29Si NMR chemical shifts of various silicate species in the silicate solution as initial components for zeolite synthesis both in gas and solution phase. Calculations have been performed at geo...

In 1998, NASA launches EOS-AM1, the first of a series of the Earth Observing System (EOS) satellites. EOS will monitor the evolution of the state of the earth for 18 years, starting with the morning observations of EOS-AM1 (10:30 a.m. equatorial crossing time). An integrated view of the earth, as planned by EOS, is needed to study the interchange of energy, moisture, and carbon between the land...

nowadays nmr spectroscopy becomes a powerful tool in chemistry because of the nmr chemical shifts. hartree–fock theory and the gauge-including atomic orbital (giao) methods are used in the calculation of 29si nmr chemical shifts of various silicate species in the silicate solution as initial components for zeolite synthesis both in gas and solution phase. calculations have been performed at geo...

The spectroscopic data for a range of cyclopenta-[d][1,2,3]-triazine derivative dyes have been evaluated using various standard computational approaches. Absorption these were obtained the ZINDO/S semi-empirical model vertical excitation energies structures optimised with AM1, PM3, and PM6 methods. These studies conducted under vacuum solution states polarisation continuum (PCM) implicit solvat...

Designer biosurfactants can be used to stabilise and functionalise interfaces. One particularly promising use is the stabilisation of oil-in-water emulsions, enabling fine tuning physical, chemical biological surface properties. The ability emulsion systems carry high payloads makes them attractive for applications in medicine, food fragrances, cosmetics. However, they have limited long-term st...

The COnductor-like Screening MOdel of solvent-solute interactions of Klamt and Schüürmann, COSMO, at the semiempirical AM1 level of MO calculations, augmented by limited singles and doubles configuration interaction, proves useful for the study of solvent induced shifts of fluorescence spectra. Optimization of geometry of ground S0 and excited S1 states for each solvent separately provides esti...