Sepiolite is a hydrated magnesium silicate with a microporous and mesoporous structure. The fibrous morphology and the alternating blocks and tunnels along the fiber direction of sepiolite make it an ideal material to sequester a variety of organic and inorganic contaminants. The adsorption of various surfactants by organo sepiolites have been experimentally investigated. How this hydrophobic material adsorbs dye molecules at the atomic level, however, is a great mystery. For this reason, the present study focused on the adsorption of acid azo 57 dye molecules to modified sepiolite. For this purpose, the amenability of sepiolite to remove the anionic textile dye (acid azo red dye 57) was first studied in detail. Additionally, a typical cationic surfactant, hexadecyltrimethylammonium Br (HTAB), was used to modify sepiolite to increase the adsorption capacity. Zeta potential measurements on the sepiolite and the HTAB modified sepiolite were also carried out. Moreover, Density Functional Theory (DFT) studies were performed to understand the mechanism of the adsorption of dye molecules to natural and modified sepiolite surfaces. On the basis of the experimental studies, three general systems were theoretically examined: (i) HTAB molecules on sepiolite basal surfaces to represent four Si tetrahedra, (ii) neutral or charged acid azo red dye 57 molecules on sepiolite basal surfaces to represent four Si tetrahedra, and (iii) HTAB on the surface of neutral or charged acid azo red dye 57 molecules as a substrate. The results clearly indicated good agreement between the experimental studies and the theoretical computational DFT studies. For example, the double layer structure found in experimental studies was also demonstrated in DFT studies and confirmed increased adsorption in the presence of acid azo dye 57.
Sepiolite is a fibrous clay mineral and consists of 2:1 silicate blocks connected at the corners and separated by tunnels (channels on external surfaces) that extend in the direction of fiber length. The tunnels, 3.7 Å × 610.6 Å in cross-section, are responsible for the incorporation of organic and inorganic compounds. The present study aimed to examine the capacity of twelve different organic molecules, such as pyridine, indigo, methylene blue, and quaternary amines, to gain access to the tunnels of sepiolite using quantum chemistry techniques. The interaction energy computations performed at the B97-D/TZVP level showed that all of the considered organic molecules tend to access the tunnels of sepiolite if external water molecules are absent. This finding is in agreement with experimental studies that included pyridine, indigo, 2,2-bipyridyl, and methylene blue. Interestingly, 2,6-dimethyl pyridine preferred to remain in a tunnel rather than an external channel of the sepiolite.
The toxic profile of chemical cross-linkers
used in enhancing the
stability of self-assembled nanomicelles made of amphiphilic polymeric
materials hinders their use in clinical applications. This study was
aimed to use the layered structure of Na-montmorillonite (MMT) as
a stabilizer for nanomicelles made of poly(d,l-lactide-co-glycolide) (PLGA) amphiphilic polymer. The size of Na-MMT
was reduced below 40 nm (nano-MMT) by processing in an attritor prior
to its incorporation with PLGA. Hybrid PLGA nano-MMT (PM) nanoparticles
(NPs) were prepared using dialysis nanoprecipitation. The size distribution
was measured using dynamic light scattering (DLS). Loading 1250 μg
of the model drug molecule curcumin to PM (PMC) resulted in obtaining
88 nm-sized particles, suitable for passive targeting of cancer tumors.
The structure of nano-MMT and its position in PMC were investigated
using FT-IR, differential scanning chalorimetry (DSC), XRF, XRD, ESEM,
and EDAX assays, all of which showed the exfoliated structure of nano-MMT
incorporated with both hydrophilic and hydrophobic blocks of PLGA.
Curcumin was mutually loaded to PLGA and nano-MMT. This firm incorporation
caused a serious extension in the release of curcumin from PMC compared
to PLGA (PC). Fitting the release profile to different mathematical
models showed the remarkable role of nano-MMT in surface modification
of PLGA NPs. The ex vivo dynamic model showed the
enhanced stability of PMC in simulated blood flow, while cytotoxicity
assays showed that nano-MMT does not aggravate the good toxic profile
of PLGA but improves the anticancer effect of payload. Nano-MMT could
be used as an effective nontoxic stabilizer agent for self-assembled
NPs.
The amenability of gold nanoparticles (AuNPs) coating on natural and modified (hexadecyl trimethyl ammonium bromide, CTAB) sepiolite surfaces was studied both experimentally and theoretically. The zeta potential experiments and Fourier transform infrared spectrophotometer (FTIR), environmental scanning electron microscope (ESEM), and transmission electron microscopy (TEM) analyses were carried out with the sepiolite samples in the presence of AuNPs. In addition, the adsorption of three gold-nanoparticles on the sepiolite surface (100) in the absence and presence of CTAB was investigated by molecular dynamics (MD) simulations. The AuNPs showed no significant change in the zeta potential of natural sepiolite surfaces due to negative charges of both the sepiolite and AuNPs at natural pH. The surface charge of modified sepiolite decreased with the increase in AuNPs concentration indicating the significance AuNPs adsorption. FTIR, ESEM, and TEM analyses indicated the coating of AuNPs onto the modified sepiolite surface were higher than that of the natural sepiolite surface. The MD simulation results showed that AuNPs can easily adsorb onto the basal surface of the sepiolite due to its hydrophilicity in the presence and absence of CTAB as indicated in the experimental studies. In short, the modification of sepiolite with CTAB made the charge positive, and in turn considerably increased the AuNPs coating on sepiolite surfaces due to electrostatic attraction.
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