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Catalytic engineering of transition metal (TM: Ni, Pd, Pt)-coordinated Ge-doped graphitic carbon nitride (Ge@g-c3n4) nanostructures for petroleum hydrocarbon separation: An outlook from theoretical calculations.
Arikpo TO, Odey MO, Agurokpon DC, Malu DG, Gulack AO, Gber TE. Arikpo TO, et al. Among authors: agurokpon dc. Heliyon. 2024 Sep 27;10(19):e38483. doi: 10.1016/j.heliyon.2024.e38483. eCollection 2024 Oct 15. Heliyon. 2024. PMID: 39430491 Free PMC article.
Elucidating the structural basis for the enhanced antifungal activity of amide derivative against Candida albicans: a comprehensive computational investigation.
Kechi EL, Ubah CB, Runde M, Owen AE, Godfrey OC, Agurokpon DC, Odey MO, Edet UO, Ekpong BO, Iyam SO, Benjamin I, Sampathkumar G. Kechi EL, et al. Among authors: agurokpon dc. In Silico Pharmacol. 2024 May 30;12(1):48. doi: 10.1007/s40203-024-00222-3. eCollection 2024. In Silico Pharmacol. 2024. PMID: 38828443
Impact of Polythiophene ((C4H4S)n; n = 3, 5, 7, 9) Units on the Adsorption, Reactivity, and Photodegradation Mechanism of Tetracycline by Ti-Doped Graphene/Boron Nitride (Ti@GP_BN) Nanocomposite Materials: Insights from Computational Study.
Agurokpon DC, Louis H, Benjamin I, Godfrey OC, Ghotekar S, Adeyinka AS. Agurokpon DC, et al. ACS Omega. 2023 Oct 30;8(45):42340-42355. doi: 10.1021/acsomega.3c04625. eCollection 2023 Nov 14. ACS Omega. 2023. PMID: 38024685 Free PMC article.
Single-atoms (N, P, S) encapsulation of Ni-doped graphene/PEDOT hybrid materials as sensors for H2S gas applications: intuition from computational study.
Benjamin I, Louis H, Ogungbemiro FO, Agurokpon DC, Ekpong BO, Gber TE, Pembere AMS. Benjamin I, et al. Among authors: agurokpon dc. Sci Rep. 2023 Nov 1;13(1):18856. doi: 10.1038/s41598-023-46153-5. Sci Rep. 2023. Retraction in: Sci Rep. 2024 Aug 21;14(1):19379. doi: 10.1038/s41598-024-70290-0 PMID: 37914823 Free PMC article. Retracted.