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Carbon Nanotube (10, 0) and Silicon Nanotube (7, 0) as a Novel Material for Drug Delivery of Substituted Eugenols as Antioxidant Drugs

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Abstract

The potential of CNT(10, 0) and SiNT(7, 0) and their metal doped CNT(10, 0) and SiNT(7, 0) to adsorb the NH2, OH and Ethyl eugenols are examined. The antioxidant potential of NH2-, OH- and ethyl-eugenols are examined in solvent. The NH2-eugenol has the best potential to adsorb on CNT(10, 0) and SiNT(7, 0). The NH2 are stabilized the radicals and radical cations and NH2-eugenol has less BDE and IP and higher antioxidant potential. The adsorptions of NH2-, OH- and ethyl-eugenols on CNT(10, 0) and SiNT(7, 0) are effective processes. The Ead of NH2-, OH- and ethyl-eugenols on SiNT(7, 0) are higher than corresponding values on CNT(10, 0). Finally, Zn doped SiNT(7, 0) and CNT(10, 0) are proposed as suitable compounds for delivery of eugenol derivatives.

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Data Availability

Not applicable.

Code Availability

Not applicable.

Abbreviations

CNT:

Carbon Nanotube

SiNT:

Silicon Nanotube

BDE:

Bond dissociation Energy

IP:

Ionization potential

Zn:

Zinc

Fe:

Iron

Cu:

Copper

Ni:

Nickel

Ead :

Adsorption Energy

PCM:

Polarization Continuum Model

DFT:

Density Functional Theory

B3LYP:

Becke, 3-parameter, Lee–Yang–Parr

DMSO:

Dimethyl sulfoxide

eV:

Electron Volt

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Acknowledgements

I thank my university for computational help.

Author information

Authors and Affiliations

  1. Al-Manara College for Medical Sciences, Maysan, Iraq

    Shaymaa Abed Hussein

  2. College of Pharmacy, Al Farahidi University, Baghdad, Iraq

    Mohanad Adel Mohammed

  3. Anesthesia Techniques Department, Al-Mustaqbal University College, Babylon, Iraq

    Marwah M. Mahdi

  4. Al-Nisour University College, Baghdad, Iraq

    Zuhair I. Al Mashhadani

  5. Medical Physics Department, Hilla University College, Babylon, Iraq

    Emad Salaam Abood

  6. Faculty of Physics, Beijing Institute of Science, Beijing, China

    Xiaoguang Zhao

Authors
  1. Shaymaa Abed Hussein
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  2. Mohanad Adel Mohammed
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  3. Marwah M. Mahdi
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  4. Zuhair I. Al Mashhadani
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  5. Emad Salaam Abood
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  6. Xiaoguang Zhao
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Contributions

Hussein (Funding acquisition, Investigation, Methodology), Mohammed (Project administration, Resources, Software), Mahdi (Supervision, Validation, Visualization), Al Mashhadani (Conceptualization, Data curation, Formal analysis), Abood (Funding acquisition, Software, Validation), Zhao (Conceptualization, Data curation, Formal analysis).

Corresponding author

Correspondence to Xiaoguang Zhao.

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All procedures performed in studies involving human participants are in accordance with the ethical standards of the institutional and/or national research committee and with the 1964 Helsinki declaration and its later amendments or comparable ethical standards.

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Hussein, S.A., Mohammed, M.A., Mahdi, M.M. et al. Carbon Nanotube (10, 0) and Silicon Nanotube (7, 0) as a Novel Material for Drug Delivery of Substituted Eugenols as Antioxidant Drugs. Silicon 15, 285–291 (2023). https://doi.org/10.1007/s12633-022-02026-6

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  • DOI: https://doi.org/10.1007/s12633-022-02026-6

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