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Journal of Biomolecular Structure and Dynamics Volume 37, 2019 - Issue 16
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Letter to the Editor

Calcium-doped single-wall nanotubes (Ca/SWCNTs) as a superior carrier for atropine drug delivery: a quantum-chemical study in gas and solvent phases

Mitra MirmotahariDepartment of Biology, Virginia Commonwealth University, Richmond, VA, USA;
,
Emad SaniDepartment of Polymer Engineering, Science and Research Branch, Islamic Azad University, Tehran, Iran;
,
Ali Shokuhi RadDepartment of Chemical Engineering, Qaemshahr Branch, Islamic Azad University, Qaemshahr, Iran;Correspondence[email protected] [email protected]
ORCID Iconhttp://orcid.org/0000-0002-2426-0339
ORCID Icon &
Mohammad A. KhalilzadehDepartment of Biomaterials, College of Natural Resources, North Carolina State University, Raleigh, NC, USA;;Department of Chemistry, Qaemshahr Branch, Islamic Azad University, Qaemshahr, Iran
Pages 4267-4273 | Received 18 Oct 2018, Accepted 05 Nov 2018, Published online: 29 Dec 2018

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Zahra Jafari, Robabeh Baharfar, Ali Shokuhi Rad & Sakineh Asghari. (2021) Potential of graphene oxide as a drug delivery system for Sumatriptan: a detailed density functional theory study. Journal of Biomolecular Structure and Dynamics 39:5, pages 1611-1620.
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Majid Pakdel, Heidar Raissi & Mahnaz Shahabi. (2020) Predicting doxorubicin drug delivery by single-walled carbon nanotube through cell membrane in the absence and presence of nicotine molecules: a molecular dynamics simulation study. Journal of Biomolecular Structure and Dynamics 38:5, pages 1488-1498.
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Hosien Shaki, Heidar Raissi, Fariba Mollania & Hassan Hashemzadeh. (2020) Modeling the interaction between anti-cancer drug penicillamine and pristine and functionalized carbon nanotubes for medical applications: density functional theory investigation and a molecular dynamics simulation. Journal of Biomolecular Structure and Dynamics 38:5, pages 1322-1334.
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Zohre Hasanzade & Heidar Raissi. (2020) Carbon and boron nanotubes as a template material for adsorption of 6-Thioguanine chemotherapeutic: a molecular dynamics and density functional approach. Journal of Biomolecular Structure and Dynamics 38:3, pages 697-707.
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Articles from other publishers (11)

Qilong Wang, Ping Zhang, Mohammad Javed Ansari, Mohammed F. Aldawsari, Ahmed S. Alalaiwe, Jupinder Kaur, Ravinder Kumar, Andrew Ng Kay Lup, Ayesheh Enayati, Hassan Mirzaei, Alireza Soltani, Chia-Hung Su & Hoang Chinh Nguyen. (2022) Electrostatic interaction assisted Ca-decorated C20 fullerene loaded to anti-inflammatory drugs to manage cardiovascular disease risk in rheumatoid arthritis patients. Journal of Molecular Liquids 350, pages 118564.
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S.V.D. Nisha & I. Hubert Joe. (2022) Molecular structure and quantum chemical evaluation of antiviral drug Atropine using vibrational spectroscopy and in-silico studies. Materials Today: Proceedings 68, pages 463-469.
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Keshav Narayan Alagarsamy, Sajitha Mathan, Weiang Yan, Alireza Rafieerad, Saravanan Sekaran, Hanna Manego & Sanjiv Dhingra. (2021) Carbon nanomaterials for cardiovascular theranostics: Promises and challenges. Bioactive Materials 6:8, pages 2261-2280.
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Yan Cao, Afrasyab Khan, Hanzaleh Balakheyli, Andrew Ng Kay Lup, Mohammad Ramezani Taghartapeh, Hassan Mirzaei, Seyed Reza Khandoozi, Alireza Soltani, Mehrdad Aghaei, Fatemeh Heidari, Shaheen M. Sarkar & Ahmad B. Albadarin. (2021) Penicillamine functionalized B12N12 and B12CaN12 nanocages act as potential inhibitors of proinflammatory cytokines: A combined DFT analysis, ADMET and molecular docking study. Arabian Journal of Chemistry 14:7, pages 103200.
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Hamidur Rahman, Md. Rakib Hossain & Tahmina Ferdous. (2020) The recent advancement of low-dimensional nanostructured materials for drug delivery and drug sensing application: A brief review. Journal of Molecular Liquids 320, pages 114427.
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Elahe Aali, Ali Shokuhi Rad & Mehri Esfahanian. (2020) Computational investigation of the strategy of DNA/RNA stabilization through the study of the conjugation of an oligonucleotide with silver and gold nanoparticles. Applied Organometallic Chemistry 34:8.
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Afsoon Behmanesh, Farshid Salimi & Gholamreza Ebrahimzadeh Rajaei. (2020) Adsorption behavior of letrozole on pure, Ge- and Si-doped C60 fullerenes: a comparative DFT study. Monatshefte für Chemie - Chemical Monthly 151:1, pages 25-32.
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Bahareh Khodashenas, Mehdi Ardjmand, Mazyar Sharifzadeh Baei, Ali Shokuhi Rad & Azim Akbarzadeh Khiyavi. (2019) Gelatin–Gold Nanoparticles as an Ideal Candidate for Curcumin Drug Delivery: Experimental and DFT Studies. Journal of Inorganic and Organometallic Polymers and Materials 29:6, pages 2186-2196.
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Mohammad A. Khalilzadeh, Hasan Sadeghifar & Richard Venditti. (2019) Natural Clinoptilolite/KOH: An Efficient Heterogeneous Catalyst for Carboxymethylation of Hemicellulose. Industrial & Engineering Chemistry Research 58:27, pages 11680-11688.
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Ali Shokuhi Rad & Khurshid Ayub. (2019) Change in the electronic and nonlinear optical properties of Fullerene through its incorporation with Sc-, Fe-, Cu-, and Zn transition metals. Applied Physics A 125:6.
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Parvaneh Dastoorani, Mohammad A. Khalilzadeh, Fatemeh Khaleghi, Malek Taher Maghsoodlou, Werner Kaminsky & Ali Shokuhi Rad. (2019) Experimental and computational studies on the synthesis of diastereoselective natural-based Meldrum spiro dibenzofuran derivatives. New Journal of Chemistry 43:17, pages 6615-6621.
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