| Title |
A first-principles study of pristine and Al-doped activated carbon interacting with 5-Fluorouracil anticancer drug
|
|---|---|
| Published in |
The European Physical Journal E, September 2018
|
| DOI | 10.1140/epje/i2018-11718-4 |
| Pubmed ID | |
| Authors |
G. Román, E. Noseda Grau, A. Díaz Compañy, G. Brizuela, A. Juan, S. Simonetti |
| Abstract |
The adsorption of the 5-Fluorouracil (5-FU) molecule on the pristine and Al-doped activated carbon (AC) was investigated by using the Vienna Ab-initio Simulation Package. It is found that the 5-FU molecule is only weakly adsorbed on the pristine AC with high adsorption energy and large surface distance. The adsorption of the 5-FU molecule on pristine AC is highly disfavored. In contrast, the molecule shows strong interactions with the Al-doped AC confirmed by the lesser adsorption energy, the charge transfers on the Al-modified zone and the significant changes in the DOS at the Fermi level. The results of our study suggest that the Al dopant increases the adsorption capacity of AC enhancing its interactions with polar atoms of the adsorbate, hence improving its adsorption properties. |
X Demographics
The data shown below were collected from the profiles of 4 X users who shared this research output. Click here to find out more about how the information was compiled.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| United States | 2 | 50% |
| United Kingdom | 1 | 25% |
| Unknown | 1 | 25% |
Demographic breakdown
| Type | Count | As % |
|---|---|---|
| Members of the public | 3 | 75% |
| Practitioners (doctors, other healthcare professionals) | 1 | 25% |
Mendeley readers
The data shown below were compiled from readership statistics for 10 Mendeley readers of this research output. Click here to see the associated Mendeley record.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| Unknown | 10 | 100% |
Demographic breakdown
| Readers by professional status | Count | As % |
|---|---|---|
| Professor > Associate Professor | 2 | 20% |
| Student > Master | 2 | 20% |
| Researcher | 2 | 20% |
| Student > Bachelor | 1 | 10% |
| Unknown | 3 | 30% |
| Readers by discipline | Count | As % |
|---|---|---|
| Environmental Science | 1 | 10% |
| Agricultural and Biological Sciences | 1 | 10% |
| Medicine and Dentistry | 1 | 10% |
| Chemistry | 1 | 10% |
| Materials Science | 1 | 10% |
| Other | 1 | 10% |
| Unknown | 4 | 40% |
Attention Score in Context
This research output has an Altmetric Attention Score of 55. 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 20 September 2018.
All research outputs
#742,377
of 24,801,176 outputs
Outputs from The European Physical Journal E
#16
of 688 outputs
Outputs of similar age
#16,266
of 347,313 outputs
Outputs of similar age from The European Physical Journal E
#1
of 16 outputs
Altmetric has tracked 24,801,176 research outputs across all sources so far. Compared to these this one has done particularly well and is in the 97th percentile: it's in the top 5% of all research outputs ever tracked by Altmetric.
So far Altmetric has tracked 688 research outputs from this source. They typically receive more attention than average, with a mean Attention Score of 7.8. This one has done particularly well, scoring higher than 97% of its peers.
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We're also able to compare this research output to 16 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 99% of its contemporaries.