Comment on "Ab initio calculations of the lattice parameter and elastic stiffness coefficients of bcc Fe with solutes" Comp. Mat. Sci. v.126 pp.503-513 (2017)

In a recent paper, the authors propose to separately calculate the volumetric and chemical contributions to the elastic stiffness coefficients of systems containing solutes, as it is "computationally more efficient". We show that this is not the case and further that their methodology and hence their results are incorrect. There is no short cut for performing the desired calculations, if done rigorously, as we show in our 2012 work

Variations in the 6.2 μ\mum emission profile in starburst-dominated galaxies: a signature of polycyclic aromatic nitrogen heterocycles (PANHs)?

Analyses of the polycyclic aromatic hydrocarbon (PAH) feature profiles, especially the 6.2 $\mu$m feature, could indicate the presence of nitrogen incorporated in their aromatic rings. In this work, 155 predominantly starburst-dominated galaxies (including HII regions and Seyferts, for example), extracted from the Spitzer/IRS ATLAS project (Hern\'an-Caballero & Hatziminaoglou 2011), have their 6.2 $\mu$m profiles fitted allowing their separation into the Peeters' A, B and C classes (Peeters et al. 2002). 67% of these galaxies were classified as class A, 31% were as class B and 2% as class C. Currently class A sources, corresponding to a central wavelength near 6.22 $\mu$m, seem only to be explained by polycyclic aromatic nitrogen heterocycles (PANH, Hudgins et al. 2005), whereas class B may represent a mix between PAHs and PANHs emissions or different PANH structures or ionization states. Therefore, these spectra suggest a significant presence of PANHs in the interstellar medium (ISM) of these galaxies that could be related to their starburst-dominated emission. These results also suggest that PANHs constitute another reservoir of nitrogen in the Universe, in addition to the nitrogen in the gas phase and ices of the ISM

Additional file 2 of Large scale analysis of amino acid substitutions in bacterial proteomics

Table with identifications of MS/MS spectra of H. pylori E48 and H-13 in classical Mascot search against sequence database and speptide search. (XLSX 89.6 kb

Additional file 1 of Large scale analysis of amino acid substitutions in bacterial proteomics

Supplementary materials with Figures S1-S12 and Tables S1-S5. (PDF 855 kb

Additional file 5: of Genome analysis of E. coli isolated from Crohn’s disease patients

Phage sensitivity test of E. coli CD-isolates (see Methods). (DOC 45 kb