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A Theoretical Study of the Benzoylformate Decarboxylase Reaction Mechanism

Overview of attention for article published in Frontiers in Chemistry, June 2018
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  • High Attention Score compared to outputs of the same age and source (83rd percentile)

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Title
A Theoretical Study of the Benzoylformate Decarboxylase Reaction Mechanism
Published in
Frontiers in Chemistry, June 2018
DOI 10.3389/fchem.2018.00205
Pubmed ID
Authors

Ferran Planas, Xiang Sheng, Michael J. McLeish, Fahmi Himo

Abstract

Density functional theory calculations are used to investigate the detailed reaction mechanism of benzoylformate decarboxylase, a thiamin diphosphate (ThDP)-dependent enzyme that catalyzes the nonoxidative decarboxylation of benzoylformate yielding benzaldehyde and carbon dioxide. A large model of the active site is constructed on the basis of the X-ray structure, and it is used to characterize the involved intermediates and transition states and evaluate their energies. There is generally good agreement between the calculations and available experimental data. The roles of the various active site residues are discussed and the results are compared to mutagenesis experiments. Importantly, the calculations identify off-cycle intermediate species of the ThDP cofactor that can have implications on the kinetics of the reaction.

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Mendeley readers

Mendeley readers

The data shown below were compiled from readership statistics for 23 Mendeley readers of this research output. Click here to see the associated Mendeley record.

Geographical breakdown

Country Count As %
Unknown 23 100%

Demographic breakdown

Readers by professional status Count As %
Student > Bachelor 3 13%
Student > Master 3 13%
Student > Ph. D. Student 3 13%
Unspecified 2 9%
Researcher 2 9%
Other 3 13%
Unknown 7 30%
Readers by discipline Count As %
Biochemistry, Genetics and Molecular Biology 8 35%
Chemistry 4 17%
Unspecified 2 9%
Agricultural and Biological Sciences 1 4%
Unknown 8 35%
Attention Score in Context

Attention Score in Context

This research output has an Altmetric Attention Score of 3. This is our high-level measure of the quality and quantity of online attention that it has received. This Attention Score, as well as the ranking and number of research outputs shown below, was calculated when the research output was last mentioned on 26 June 2018.
All research outputs
#13,102,483
of 23,092,602 outputs
Outputs from Frontiers in Chemistry
#752
of 6,038 outputs
Outputs of similar age
#159,691
of 329,072 outputs
Outputs of similar age from Frontiers in Chemistry
#26
of 168 outputs
Altmetric has tracked 23,092,602 research outputs across all sources so far. This one is in the 42nd percentile – i.e., 42% of other outputs scored the same or lower than it.
So far Altmetric has tracked 6,038 research outputs from this source. They receive a mean Attention Score of 2.1. This one has done well, scoring higher than 87% of its peers.
Older research outputs will score higher simply because they've had more time to accumulate mentions. To account for age we can compare this Altmetric Attention Score to the 329,072 tracked outputs that were published within six weeks on either side of this one in any source. This one has gotten more attention than average, scoring higher than 50% of its contemporaries.
We're also able to compare this research output to 168 others from the same source and published within six weeks on either side of this one. This one has done well, scoring higher than 83% of its contemporaries.