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Adsorption mechanisms of microcystin variant conformations at water–mineral interfaces: A molecular modeling investigation

Overview of attention for article published in Journal of Colloid & Interface Science, July 2016
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  • In the top 25% of all research outputs scored by Altmetric
  • High Attention Score compared to outputs of the same age (88th percentile)
  • High Attention Score compared to outputs of the same age and source (95th percentile)

Mentioned by

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2 news outlets

Citations

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29 Dimensions

Readers on

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28 Mendeley
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Title
Adsorption mechanisms of microcystin variant conformations at water–mineral interfaces: A molecular modeling investigation
Published in
Journal of Colloid & Interface Science, July 2016
DOI 10.1016/j.jcis.2016.07.016
Pubmed ID
Authors

Amy L. Pochodylo, Thalia G. Aoki, Ludmilla Aristilde

Abstract

Microcystins (MCs) are potent toxins released during cyanobacterial blooms. Clay minerals are implicated in trapping MCs within soil particles in surface waters and sediments. In the absence of molecular characterization, the relevance of previously proposed adsorption mechanisms is lacking. Towards obtaining this characterization, we conducted Monte Carlo simulations combined with molecular dynamics relaxation of two MC variants, MC-leucine-arginine (MC-LR) and MC-leucine-alanine (MC-LA), adsorbed on hydrated montmorillonite with different electrolytes. The resulting adsorbate structures revealed how MC conformations and aqueous conditions dictate binding interactions at the mineral surface. Electrostatic coupling between the arginine residue and a carboxylate in MC-LR excluded the participation of arginine in mediating adsorption on montmorillonite in a NaCl solution. However, in a CaCl2 solution, the complexation of Ca by two carboxylate moieties in MC-LR changed the MC conformation, which allowed arginine to mediate electrostatic interaction with the mineral. By contrast, due to the lack of arginine in MC-LA, complexation of Ca by only one carboxylate in MC-LA was required to favor Ca-bridging interaction with the mineral. Multiple water-bridged H-bonding interactions were also important in anchoring MCs at the mineral surface. Our modeling results offer molecular insights into the structural and chemical factors that can control the fate of MCs at water-mineral interfaces.

Mendeley readers

Mendeley readers

The data shown below were compiled from readership statistics for 28 Mendeley readers of this research output. Click here to see the associated Mendeley record.

Geographical breakdown

Country Count As %
Unknown 28 100%

Demographic breakdown

Readers by professional status Count As %
Student > Ph. D. Student 6 21%
Student > Doctoral Student 4 14%
Student > Master 4 14%
Researcher 3 11%
Student > Bachelor 2 7%
Other 3 11%
Unknown 6 21%
Readers by discipline Count As %
Chemistry 5 18%
Environmental Science 5 18%
Engineering 3 11%
Agricultural and Biological Sciences 2 7%
Chemical Engineering 1 4%
Other 1 4%
Unknown 11 39%
Attention Score in Context

Attention Score in Context

This research output has an Altmetric Attention Score of 14. 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 30 September 2016.
All research outputs
#2,485,874
of 25,374,917 outputs
Outputs from Journal of Colloid & Interface Science
#73
of 5,980 outputs
Outputs of similar age
#43,622
of 370,057 outputs
Outputs of similar age from Journal of Colloid & Interface Science
#2
of 46 outputs
Altmetric has tracked 25,374,917 research outputs across all sources so far. Compared to these this one has done particularly well and is in the 90th percentile: it's in the top 10% of all research outputs ever tracked by Altmetric.
So far Altmetric has tracked 5,980 research outputs from this source. They receive a mean Attention Score of 3.6. This one has done particularly well, scoring higher than 98% 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 370,057 tracked outputs that were published within six weeks on either side of this one in any source. This one has done well, scoring higher than 88% of its contemporaries.
We're also able to compare this research output to 46 others from the same source and published within six weeks on either side of this one. This one has done particularly well, scoring higher than 95% of its contemporaries.