Adsorption of Microporous Silica Material (mcm-41) on Graphene Sheet as a Nano-Carrier

Abstract

In this work, we have investigated the MCM-41 (M41) adsorbed on the graphene sheet noncovalently and covalently using B3LYP/6-31G * and M05-2X/6-31G * * levels at different distances. The nuclear magnetic resonance (NMR) of 1 H and 13 C, 17 O and 29 Si has calculated by gauge independent atomic orbital (GIAO) method for M41G at 1.8, 2 and 2.3 Å. A study on the electronic properties, such as HOMO and LUMO energies, natural bond-orbital (NBO) analysis and properties structure, ChelpG have been performed by DFT methods. Density functional theory (DFT) calculations has done using GAMESS-US package of program.

Enhancing Methotrexate Delivery in the Brain by Mesoporous Silica Nanoparticles Functionalized with Cell-Penetrating Peptide using in Vivo and ex Vivo Monitoring

“…Nuropharmacokinetic studies confirmed that the brain uptake clearance of the rivastigmine-loaded MSNs was significantly higher than the free drug . This study highlighted the importance of surface functionalization of MSNs to enable them to function as effective drug carriers for delivery to the brain. , In the same year, angiopep-2 modified lipid-coated MSNs were introduced for glioma treatment. The therapeutic efficacy of the brain-targetng NPs on intracranial C6 glioma-bearing rats was high …”

A Study of Fe3O4@ Zigzag, @Armchair and @Chiral Swcnts and α and γ Cyclodextrins

“…(13) for spin-polarized system and closeshell system are defined in the same way as in ELF 43 . This work has been studied based some previous works 44- 167 and has compared with the experimental data. The ab-initio and DFT methods are used for the model system of the ONIOM layers and the semi empirical methods of pm3mm (including pseudo=lanl2) and Pm6 are used for the medium and low layers, respectively.…”

The synthesis and development of poly(ε-caprolactone) conjugated polyoxyethylene sorbitan oleate-based micelles for curcumin drug release: an in vitro study on breast cancer cells

“…27 These types of compounds can be employed for the production of solid spherical nanoparticles, vesicular polymersomes, micelles, polymer–drug conjugates, polyplexes, and dendrimers. 28 Cur is a polyphenolic compound extracted from the rhizomes of Curcuma longa 29 and is widely used in complementary medicine, as it possesses much biological activity, including analgesic, antioxidant, anti-inflammatory, and antiseptic properties. A large body of evidence shows that Cur has anti-neoplastic activity, and it plays a significant role in regulating the oncogene expression, cell cycle suppression, stimulating the apoptosis process, and preventing tumorigenesis and metastasis.…”