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      Análise por componentes principais de espectros nexafs na especiação do molibdênio em catalisadores de hidrotratamento Translated title: Principal component analysis of nexafs spectra for molybdenum speciation in hydrotreating catalysts

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          Translated abstract

          Bulk and supported molybdenum based catalysts, modified by nickel, phosphorous or tungsten were studied by NEXAFS spectroscopy at the Mo L III and L II edges. The techniques of principal component analysis (PCA) together with a linear combination analysis (LCA) allowed the detection and quantification of molybdenum atoms in two different coordination states in the oxide form of the catalysts, namely tetrahedral and octahedral coordination.

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          Factor analysis in Chemistry

          E.R Malinowski, J. E. Malinowski, L. D. Howery (2002)
          Article 0 comments Cited 11 times – based on 0 reviews     Review now
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            Multidimensional solid state NMR of anisotropic interactions in peptides and proteins.

            Benjamin J Wylie, Chad M. Rienstra (2008)
            Accurate determinations of chemical shift anisotropy (CSA) tensors are valuable for NMR of biological systems. In this review we describe recent developments in CSA measurement techniques and applications, particularly in the context of peptides and proteins. These techniques include goniometeric measurements of single crystals, slow magic-angle spinning studies of powder samples, and CSA recoupling under moderate to fast MAS. Experimental CSA data can be analyzed by comparison with ab initio calculations for structure determination and refinement. This approach has particularly high potential for aliphatic (13)C analysis, especially Calpha tensors which are directly related to structure. Carbonyl and (15)N CSA tensors demonstrate a more complex dependence upon hydrogen bonding and electrostatics, in addition to conformational dependence. The improved understanding of these tensors and the ability to measure them quantitatively provide additional opportunities for structure determination, as well as insights into dynamics.
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              Quim. Nova

              J. Moita Neto, G. C. Moita, J Moita … (1998)
              Article 0 comments Cited 6 times – based on 0 reviews     Review now
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                Author and article information

                Contributors
                Arnaldo da C. Faro Jr: Role: ND
                Victor de O. Rodrigues: Role: ND
                Jean-G. Eon: Role: ND
                Angela S. Rocha: Role: ND
                Journal
                Journal ID (publisher): qn
                Title: Química Nova
                Abbreviated Title: Quím. Nova
                Publisher: Sociedade Brasileira de Química (São Paulo )
                ISSN: 1678-7064
                Publication date (Print): 2010
                Volume: 33
                Issue: 6
                Pages: 1342-1347
                Affiliations
                [1 ] Universidade Federal do Rio de Janeiro Brazil
                [2 ] Universidade Federal do Rio de Janeiro Brazil
                Article
                Publisher ID: S0100-40422010000600023
                DOI: 10.1590/S0100-40422010000600023
                SO-VID: 6d9af890-9221-4412-b86a-4671e39fb4fe
                License:

                http://creativecommons.org/licenses/by/4.0/

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                Product

                SciELO Brazil

                Self URI (journal page): http://www.scielo.br/scielo.php?script=sci_serial&pid=0100-4042&lng=en
                Categories
                Subject: CHEMISTRY, MULTIDISCIPLINARY

                ScienceOpen disciplines: General chemistry
                Keywords: XAFS,principal component analysis,hydrotreatment
                Data availability:
                ScienceOpen disciplines: General chemistry
                Keywords: XAFS, principal component analysis, hydrotreatment

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