Evidence map›Paper›PMID 27251139›Full record

ArticleJournal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry2016

Experimental and theoretical correlations between vanadium K-edge X-ray absorption and Kβ emission spectra.

Julian A Rees, Aleksandra Wandzilak, Dimitrios Maganas, Nicole I C Wurster, Stefan Hugenbruch, Joanna K Kowalska, Christopher J Pollock, Frederico A Lima, Kenneth D Finkelstein, Serena DeBeer

Abstract read
In one paragraph

Article in Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 papers.

0numbers the graph read from it
0cells of the map it votes in
13citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

13 citing papers in PubMed.

  1. A Mixed-Valent and High-Spin Vanadium Phosphide.Journal of the American Chemical Society · 2026
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  7. Phosphorus-Atom Transfer from Phosphaethynolate to an Alkylidyne.Angewandte Chemie (International ed. in English) · 2021
    Article
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4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

10 authors.

Julian A ReesMax Planck Institute for Chemical Energy Conversion, Stiftstr. 34-36, 45470, Mülheim an der Ruhr, Germany.
Aleksandra WandzilakMax Planck Institute for Chemical Energy Conversion, Stiftstr. 34-36, 45470, Mülheim an der Ruhr, Germany.
Dimitrios MaganasMax Planck Institute for Chemical Energy Conversion, Stiftstr. 34-36, 45470, Mülheim an der Ruhr, Germany.
Nicole I C WursterMax Planck Institute for Chemical Energy Conversion, Stiftstr. 34-36, 45470, Mülheim an der Ruhr, Germany.
Stefan HugenbruchMax Planck Institute for Chemical Energy Conversion, Stiftstr. 34-36, 45470, Mülheim an der Ruhr, Germany.
Joanna K KowalskaMax Planck Institute for Chemical Energy Conversion, Stiftstr. 34-36, 45470, Mülheim an der Ruhr, Germany.
Christopher J PollockMax Planck Institute for Chemical Energy Conversion, Stiftstr. 34-36, 45470, Mülheim an der Ruhr, Germany.
Frederico A LimaCentro Nacional de Pesquisa em Energia e Materiais, Laboratório Nacional de Luz Síncrotron, Rua Giuseppe Máximo Scolfaro 10000, Campinas, SP, 13083-970, Brazil.
Kenneth D FinkelsteinCornell High Energy Synchrotron Source, Wilson Laboratory, Cornell University, Ithaca, NY, 14853, USA.
Serena DeBeerMax Planck Institute for Chemical Energy Conversion, Stiftstr. 34-36, 45470, Mülheim an der Ruhr, Germany. serena.debeer@cec.mpg.de.

Funding

Mechanistic Determination of the Non-heme Iron Enzyme Hyoscyamine-6-hydroxylaseF32GM113389 · NIGMS · PENNSYLVANIA STATE UNIVERSITY, THE · PI POLLOCK, CHRISTOPHER · 2015 to 2017
$160k
NIGMS NIH HHS F32 GM113389
6 · The paper itself

Abstract

A series of vanadium compounds was studied by K-edge X-ray absorption (XAS) and K[Formula: see text] X-ray emission spectroscopies (XES). Qualitative trends within the datasets, as well as comparisons between the XAS and XES data, illustrate the information content of both methods. The complementary nature of the chemical insight highlights the success of this dual-technique approach in characterizing both the structural and electronic properties of vanadium sites. In particular, and in contrast to XAS or extended X-ray absorption fine structure (EXAFS), we demonstrate that valence-to-core XES is capable of differentiating between ligating atoms with the same identity but different bonding character. Finally, density functional theory (DFT) and time-dependent DFT calculations enable a more detailed, quantitative interpretation of the data. We also establish correction factors for the computational protocols through calibration to experiment. These hard X-ray methods can probe vanadium ions in any oxidation or spin state, and can readily be applied to sample environments ranging from solid-phase catalysts to biological samples in frozen solution. Thus, the combined XAS and XES approach, coupled with DFT calculations, provides a robust tool for the study of vanadium atoms in bioinorganic chemistry.

Indexed as

Quantum TheorySpectrometry, X-Ray EmissionVanadium CompoundsX-Ray Absorption SpectroscopyVanadium CompoundsDensity functional theory DFTVanadiumXASXESX-ray spectroscopy

Identifiers

PMID27251139
PMCPMC4989026

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Registered trials

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.