Interaction of 5-Fluorouracil on the Surfaces of Pristine and Functionalized Ca<sub>12</sub>O<sub>12</sub> Nanocages: An Intuition from DFT-Reference-Cited by-同舟云学术

Interaction of 5-Fluorouracil on the Surfaces of Pristine and Functionalized Ca₁₂O₁₂ Nanocages: An Intuition from DFT

Published:2023-04-03 Issue:15 Volume:8 Page:13551-13568
ISSN:2470-1343
Container-title:ACS Omega
language:en
Short-container-title:ACS Omega

Author:

Ogunwale Goodness J.¹²,Louis Hitler¹³^ORCID,Unimuke Tomsmith O.¹³^ORCID,Mathias Gideon E.¹³,Owen Aniekan E.⁴,Edet Henry O.¹³,Enudi Obieze C.¹²^ORCID,Oluwasanmi Esther O.¹²^ORCID,Adeyinka Adedapo S.⁵,Doust Mohammadi Mohsen⁶^ORCID

Affiliation:

1. Computational and Bio-Simulation Research Group, University of Calabar, Calabar540221, Nigeria

2. Department of Chemistry, Faculty of Science, University of Ibadan, Ibadan200005, Nigeria

3. Department of Pure and Applied Chemistry, Faculty of Physical Sciences, University of Calabar, Calabar540221, Nigeria

4. School of Chemistry, University of St Andrews, St AndrewsKY16 9ST, Scotland

5. Department of Chemical Sciences, University of Johannesburg, Johannesburg2006, South-Africa

6. School of Chemistry, College of Science, University of Tehran, Tehran14176, Iran

Publisher

American Chemical Society (ACS)

Subject

General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acsomega.2c03635

Reference97 articles.

1. https://www.who.int/news-room/fact-sheets/detail/cancer. Accessed May 12, 2022.

2. https://www.who.int/health-topics/cancer#tab=tab_1. Accessed May 12.

3. 5-Fluorouracil: mechanisms of action and clinical strategies

4. https://en.wikipedia.org/wiki/Fluorouracil. Accessed May 12.

5. 5-Fluorouracil: Mechanisms of Resistance and Reversal Strategies

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