Molecular dynamic insight into the ethanol effect on Tretinoin drug delivery through carbon nanotubes

Ghadamgahi, Maryam; Ajloo, Davood

doi:10.1007/s40097-014-0091-4

Cited by 20 publications

(1 citation statement)

References 28 publications

(54 reference statements)

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“…In MD simulations the effect of the ethanol (EtOH) as a co-solvent in different concentrations (1, 0.5 and 0.1 M) have been investigated. EtOH is considered as a model to explore the balance of hydrophobic interactions and H-bonds in the biological systems [322]. DFT calculation showed that the negative values of the E ads and solvation energies (E sol ), the difference between the energy obtained in solution and the energy obtained in gas, demonstrate that all studied configurations are stable.…”

Section: Other Cytostaticsmentioning

confidence: 99%

Molecular Interpretation of Pharmaceuticals’ Adsorption on Carbon Nanomaterials: Theory Meets Experiments

2020

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The ability of carbon-based nanomaterials (CNM) to interact with a variety of pharmaceutical drugs can be exploited in many applications. In particular, they have been studied both as carriers for in vivo drug delivery and as sorbents for the treatment of water polluted by pharmaceuticals. In recent years, the large number of experimental studies was also assisted by computational work as a tool to provide understanding at molecular level of structural and thermodynamic aspects of adsorption processes. Quantum mechanical methods, especially based on density functional theory (DFT) and classical molecular dynamics (MD) simulations were mainly applied to study adsorption/release of various drugs. This review aims to compare results obtained by theory and experiments, focusing on the adsorption of three classes of compounds: (i) simple organic model molecules; (ii) antimicrobials; (iii) cytostatics. Generally, a good agreement between experimental data (e.g. energies of adsorption, spectroscopic properties, adsorption isotherms, type of interactions, emerged from this review) and theoretical results can be reached, provided that a selection of the correct level of theory is performed. Computational studies are shown to be a valuable tool for investigating such systems and ultimately provide useful insights to guide CNMs materials development and design.

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Section: Other Cytostaticsmentioning

confidence: 99%

Molecular Interpretation of Pharmaceuticals’ Adsorption on Carbon Nanomaterials: Theory Meets Experiments

2020

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Green synthesis of Ni‐Cu‐Zn ferrite nanoparticles using tragacanth gum and their use as an efficient catalyst for the synthesis of polyhydroquinoline derivatives

Fardood

Ramazani

Golfar

et al. 2017

Applied Organom Chemis

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Ni 0.35 Cu 0.25 Zn 0.4 Fe 2 O 4 MNPs were synthesized using tragacanth gum as biotemplate and Metals nitrate as the metal source by the sol-gel method. The sample was characterized by powder X-ray diffraction (XRD), Fourier Transform Infrared Spectroscopy (FTIR), vibrating sample magnetometer (VSM), scanning electron microscopy (SEM) and energy dispersive X-ray analysis (EDX). The nanoparticles exhibit ferromagnetic behaviour at room temperature, with a saturation magnetization of 52.76 emu/g and a coercivity of 80.14 Oe. Thereupon, Ni-Cu-Zn ferrite nanoparticles as an efficient catalyst was used for the synthesis of polyhydroquinoline derivatives via multi-component reactions under microwave irradiation. Simple work-up, mild reaction conditions, short reaction times, use of an economically convenient catalyst, and excellent product yields are the advantageous features of this method. The catalyst could easily be recycled and reused few times without noticeable decrease in catalytic activity.

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A Green Synthetic Approach Towards One Pot Multi Component Synthesis of Hexahydroquinoline and 9‐Arylhexahydroacridine‐1,8‐dione Derivatives Catalyzed by Sulphonated Rice Husk

2020

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An efficient, straight forward, eco‐friendly procedure for the synthesis of biologically active hexahydroquinoline derivatives and hexahydroacridine‐1,8‐diones has been designed using a novel bio‐degradable heterogeneous catalyst, sulphonated rice‐husk (SRH). SRH provides high density of acid groups making it different from conventional solid acids containing single acid groups. We report an efficient protocol for the synthesis of hexahydroquinolines and hexahydroacridine‐1,8‐diones using this carbon based acid catalyst (SRH) in solvent free and greener solvent respectively. Moreover, operational simplicity, greener reaction condition, reusability of the catalyst, excellent yield (upto 98 %) are the fundamental features of this protocol. The metal free catalyst was characterised using different spectroscopic techniques FTIR, SEM, EDX, Powder XRD, ICP‐AES.

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Molecular dynamic insight into the ethanol effect on Tretinoin drug delivery through carbon nanotubes

Cited by 20 publications

References 28 publications

Molecular Interpretation of Pharmaceuticals’ Adsorption on Carbon Nanomaterials: Theory Meets Experiments

Molecular Interpretation of Pharmaceuticals’ Adsorption on Carbon Nanomaterials: Theory Meets Experiments

Green synthesis of Ni‐Cu‐Zn ferrite nanoparticles using tragacanth gum and their use as an efficient catalyst for the synthesis of polyhydroquinoline derivatives

A Green Synthetic Approach Towards One Pot Multi Component Synthesis of Hexahydroquinoline and 9‐Arylhexahydroacridine‐1,8‐dione Derivatives Catalyzed by Sulphonated Rice Husk

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