Evidence map›Paper›PMID 33396506›Full record

ArticleMolecules (Basel, Switzerland)2020

Ab Initio Molecular Dynamics Simulations of the Interaction between Organic Phosphates and Goethite.

Prasanth B Ganta, Oliver Kühn, Ashour A Ahmed

Open access · goldAbstract read
In one paragraph

Article in Molecules (Basel, Switzerland), 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.

0numbers the graph read from it
0cells of the map it votes in
2citing papers in PubMed
2.1field-weighted citation impact, top 12% of its field
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

2 citing papers in PubMed, 15 citations in OpenAlex.

  1. Article
  2. Review
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

3 authors at 1 institution in 1 country.

Prasanth B GantaInstitute of Physics, University of Rostock, Albert-Einstein-Str. 23-24, D-18059 Rostock, Germany.ORCID 0000-0002-6931-4767
Oliver KühnInstitute of Physics, University of Rostock, Albert-Einstein-Str. 23-24, D-18059 Rostock, Germany.ORCID 0000-0002-5132-2961
Ashour A AhmedInstitute of Physics, University of Rostock, Albert-Einstein-Str. 23-24, D-18059 Rostock, Germany.ORCID 0000-0002-5933-5249
University of Rostock · DE

Funding

Bundesministerium für Bildung und Forschung 031A558Deutsche Forschungsgemeinschaft AH314/1,KU952/11-1North German Super Computing Alliance mvp00016
6 · The paper itself

Abstract

Today's fertilizers rely heavily on mining phosphorus (P) rocks. These rocks are known to become exhausted in near future, and therefore effective P use is crucial to avoid food shortage. A substantial amount of P from fertilizers gets adsorbed onto soil minerals to become unavailable to plants. Understanding P interaction with these minerals would help efforts that improve P efficiency. To this end, we performed a molecular level analysis of the interaction of common organic P compounds (glycerolphosphate (GP) and inositol hexaphosphate (IHP)) with the abundant soil mineral (goethite) in presence of water. Molecular dynamics simulations are performed for goethite-IHP/GP-water complexes using the multiscale quantum mechanics/molecular mechanics method. Results show that GP forms monodentate (

Indexed as

Molecular Dynamics SimulationAdsorptionHydrogen-Ion ConcentrationIron CompoundsMineralsOrganophosphatesWatergoethiteIron CompoundsMineralsOrganophosphatesWaterbinding energiesglycerolphosphategoethiteinfrared spectrainositol hexaphosphateMD simulationsP–inefficiencyQMMM

Identifiers

PMID33396506
PMCPMC7795625
OpenAlexW3107638035

What OpenQuestion holds

Textmetadata
LicenceCC BY
Read underepoch 390

Registered trials

None linked

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.