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  1. Article ; Online: On the Potentiality of X‑T‑X3 Compounds (T = C, Si, and Ge, and X = F, Cl, and Br) as Tetrel- and Halogen-Bond Donors

    Mahmoud A. A. Ibrahim / Nayra A. M. Moussa / Mahmoud E. S. Soliman / Mahmoud F. Moustafa / Jabir H. Al-Fahemi / H. R. Abd El-Mageed

    ACS Omega, Vol 6, Iss 29, Pp 19330-

    2021  Volume 19341

    Keywords Chemistry ; QD1-999
    Language English
    Publishing date 2021-07-01T00:00:00Z
    Publisher American Chemical Society
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  2. Article ; Online: Author Correction

    N. K. Soliman / A. F. Moustafa / H. R. Abd El-Mageed / Omima F. Abdel-Gawad / Esraa T. Elkady / Sayed A. Ahmed / Hussein S. Mohamed

    Scientific Reports, Vol 11, Iss 1, Pp 1-

    Experimentally and theoretically approaches for disperse red 60 dye adsorption on novel quaternary nanocomposites

    2021  Volume 1

    Keywords Medicine ; R ; Science ; Q
    Language English
    Publishing date 2021-08-01T00:00:00Z
    Publisher Nature Portfolio
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  3. Article ; Online: Activated carbon derived from sugarcane and modified with natural zeolite for efficient adsorption of methylene blue dye

    Fatma Mohamed / Mohamed Shaban / Shimaa Kotb Zaki / Maysaa Sayed Abd-Elsamie / Radwa Sayed / Mohamed Zayed / Nermein Khalid / Sara Saad / Sara Omar / Ashour M. Ahmed / Abanoub Gerges / H. R. Abd El-Mageed / N. K. Soliman

    Scientific Reports, Vol 12, Iss 1, Pp 1-

    experimentally and theoretically approaches

    2022  Volume 18

    Abstract: Abstract The introduction of activated carbon/natural zeolite (AC/NZ) as an efficient and reliable nanoadsorbent for enhancing methylene blue (MB) dye adsorption. By calcining sugarcane waste at various temperatures between 500 and 900 °C, activated ... ...

    Abstract Abstract The introduction of activated carbon/natural zeolite (AC/NZ) as an efficient and reliable nanoadsorbent for enhancing methylene blue (MB) dye adsorption. By calcining sugarcane waste at various temperatures between 500 and 900 °C, activated carbons (ACs) are formed. Both XRD and SEM were used for the characterization of the prepared adsorbents. Adsorption measurements for the removal of MB dye were made on the impact of pH, beginning MB concentration, and contact time. The maximum AC500/NZ adsorption capacity for MB dye at 25 °C, pH 7, and an AC500/NZ mass of 50 mg was found to be approximately 51 mg/g at an initial concentration of 30 ppm. The pseudo-second-order kinetics model and the Temkin isotherm model describe the adsorption process. The Temkin model shows that the adsorption energy is 1.0 kcal/mol, indicating that the MB-to-AC500/NZ adsorption process occurs physically. Our Monte Carlo (MC) simulation studies supported our findings and showed that the Van der Waals dispersion force was responsible for the MB molecule's physical adsorption. The AC500/NZ adsorbent is thought to be a strong contender for water remediation.
    Keywords Medicine ; R ; Science ; Q
    Subject code 660
    Language English
    Publishing date 2022-10-01T00:00:00Z
    Publisher Nature Portfolio
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  4. Article ; Online: Effect of External Electric Field on Tetrel Bonding Interactions in (FTF3···FH) Complexes (T = C, Si, Ge, and Sn)

    Mahmoud A. A. Ibrahim / Afnan A. K. Kamel / Mahmoud E. S. Soliman / Mahmoud F. Moustafa / H. R. Abd El-Mageed / Fouad Taha / Lamiaa A. Mohamed / Nayra A. M. Moussa

    ACS Omega, Vol 6, Iss 39, Pp 25476-

    2021  Volume 25485

    Keywords Chemistry ; QD1-999
    Language English
    Publishing date 2021-09-01T00:00:00Z
    Publisher American Chemical Society
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  5. Article ; Online: In Silico Evaluation of Different Flavonoids from Medicinal Plants for Their Potency against SARS-CoV-2

    H. R. Abd El-Mageed / Doaa A. Abdelrheem / Md. Oliullah Rafi / Md. Takim Sarker / Khattab Al-Khafaji / Md. Jamal Hossain / Raffaele Capasso / Talha Bin Emran

    Biologics, Vol 1, Iss 24, Pp 416-

    2021  Volume 434

    Abstract: The ongoing pandemic situation of COVID-19 caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) poses a global threat to both the world economy and public health. Therefore, there is an urgent need to discover effective vaccines or ... ...

    Abstract The ongoing pandemic situation of COVID-19 caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) poses a global threat to both the world economy and public health. Therefore, there is an urgent need to discover effective vaccines or drugs to fight against this virus. The flavonoids and their medicinal plant sources have already exhibited various biological effects, including antiviral, anti-inflammatory, antioxidant, etc. This study was designed to evaluate different flavonoids from medicinal plants as potential inhibitors against the spike protein (Sp) and main protease (M pro ) of SARS-CoV-2 using various computational approaches such as molecular docking, molecular dynamics. The binding affinity and inhibitory effects of all studied flavonoids were discussed and compared with some antiviral drugs that are currently being used in COVID-19 treatment namely favipiravir, lopinavir, and hydroxychloroquine, respectively. Among all studies flavonoids and proposed antiviral drugs, luteolin and mundulinol exhibited the highest binding affinity toward Mpro and Sp. Drug-likeness and ADMET studies revealed that the chosen flavonoids are safe and non-toxic. One hundred ns-MD simulations were implemented for luteolin-Mpro, mundulinol-Mpro, luteolin-Sp, and mundulinol-Sp complexes and the results revealed strong stability of these flavonoid-protein complexes. Furthermore, MM/PBSA confirms the stability of luteolin and mundulinol interactions within the active sites of this protein. In conclusion, our findings reveal that the promising activity of luteolin and mundulinol as inhibitors against COVID-19 via inhibiting the spike protein and major protease of SARS CoV-2, and we urge further research to achieve the clinical significance of our proposed molecular-based efficacy.
    Keywords SARS-CoV-2 ; spike protein ; main protease ; flavonoids ; ADME/Tox ; MD simulation ; Biology (General) ; QH301-705.5
    Language English
    Publishing date 2021-11-01T00:00:00Z
    Publisher MDPI AG
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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