Development of sol-gel silica-based mixed-mode zwitterionic sorbents for determining drugs in environmental water samples

Moral, Alberto; Borrull, Francesc; Fourton, Kenneth G.; Kabir, Abuzar; Fontanals, Núria; Marcé, Rosa Maria

doi:10.1016/j.chroma.2022.463237

“…The Sol-Gel method is an interesting technique that is useful for preparing micro-or nanoporous silica-based materials with different percentages of drugs [65]. Thanks to spectroscopic techniques, it is possible to obtain useful information if drug molecules interact with the solid surface [66][67][68]. In a previous study, the molecules of the drug ketoprofen, a poorly soluble inflammatory drug [69], were encapsulated in a silica matrix via the Sol-Gel method [70][71][72][73][74][75][76].…”

Section: Introductionmentioning

confidence: 99%

Hybrid Organic–Inorganic Biomaterials as Drug Delivery Systems: A Molecular Dynamics Study of Quercetin Adsorption on Amorphous Silica Surfaces

Raffaini,

Pirozzi,

Catauro

et al. 2024

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Many important drugs in pharmaceutical applications are poorly soluble. Solubilization, which is diffusion through biological barriers, and the control of local administration are crucial steps for bioavailability and to avoid cytotoxic effects. Hybrid organic/inorganic biomaterials can incorporate drugs for in situ release after implantation. Molecular Mechanics (MM) and Molecular Dynamics (MD) simulations are useful tools for investigating intermolecular interactions between drug and biomaterial surfaces at the atomistic level for these applications. This work studies quercetin, a flavonoid drug important for its anti-inflammatory, antioxidant, and anticancer properties, and the amorphous SiO2 surface using a simulation protocol proposed in previous work related to ketoprofen drugs. After adsorption on the amorphous silica surface, the adsorption process of quercetin drug molecules at two different drug concentrations near a hydrated and then dried silica surface is investigated. Interestingly, these theoretical results are compared with experimental data obtained via Fourier Transform Infrared Spectroscopy (FT–IR) spectra related to quercetin molecules homogenously entrapped in a silica matrix obtained via the Sol–Gel method. Favorable H– bonds and some π–π interactions among drug molecules are crucial surface interactions for the new generation of biocompatible materials capable of incorporating anti-inflammatory agents for release into the human body.

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Singlet Oxygen Photocatalytic Generation by Silanized TiO₂ Nanoparticles

Parrino,

Gottuso,

Viganò

et al. 2024

Angewandte Chemie

0

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A commercial TiO2 sample, used as received or hydrothermally treated to increase surface hydroxylation, has been functionalized by surface modification with hexadecyltrimethoxysilane. The anchoring of the silane has been characterized by FTIR and solid‐state NMR spectroscopies, and the grafting density was determined by thermogravimetric and N2 physisorption analyses. The silane moieties induce a partial decrease of the shielding of the valence electrons of the Ti ions at the surface, and a local modification of their crystal field, as demonstrated by XPS and UV‐vis spectroscopy, respectively. The changes in coordination and the produced oxygen vacancies result in the formation of Ti3+ defects localized in the sub‐surface region, as revealed by EPR spectroscopy. These paramagnetic centers are stabilized in the silanized samples, as the electron transfer to O2 is efficiently inhibited even under UV irradiation. However, the amount of Ti3+ centers appears to be correlated with the singlet oxygen (1O2) formation rate. Accordingly, epoxidation of limonene under UV light, chosen as a model photocatalytic reaction triggered by 1O2, occurred with higher selectivity when TiO2 was silanized and upon simultaneous NIR irradiation. These evidences suggest that in the silanized sample 1O2 may be generated through Förster‐type energy transfer from excited sub‐surface Ti3+ centers.

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Singlet Oxygen Photocatalytic Generation by Silanized TiO₂ Nanoparticles

Parrino,

Gottuso,

Viganò

et al. 2024

Angew Chem Int Ed

0

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A commercial TiO2 sample, used as received or hydrothermally treated to increase surface hydroxylation, has been functionalized by surface modification with hexadecyltrimethoxysilane. The anchoring of the silane has been characterized by FTIR and solid‐state NMR spectroscopies, and the grafting density was determined by thermogravimetric and N2 physisorption analyses. The silane moieties induce a partial decrease of the shielding of the valence electrons of the Ti ions at the surface, and a local modification of their crystal field, as demonstrated by XPS and UV‐vis spectroscopy, respectively. The changes in coordination and the produced oxygen vacancies result in the formation of Ti3+ defects localized in the sub‐surface region, as revealed by EPR spectroscopy. These paramagnetic centers are stabilized in the silanized samples, as the electron transfer to O2 is efficiently inhibited even under UV irradiation. However, the amount of Ti3+ centers appears to be correlated with the singlet oxygen (1O2) formation rate. Accordingly, epoxidation of limonene under UV light, chosen as a model photocatalytic reaction triggered by 1O2, occurred with higher selectivity when TiO2 was silanized and upon simultaneous NIR irradiation. These evidences suggest that in the silanized sample 1O2 may be generated through Förster‐type energy transfer from excited sub‐surface Ti3+ centers.

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Development of sol-gel silica-based mixed-mode zwitterionic sorbents for determining drugs in environmental water samples

Cited by 7 publications

References 35 publications

Hybrid Organic–Inorganic Biomaterials as Drug Delivery Systems: A Molecular Dynamics Study of Quercetin Adsorption on Amorphous Silica Surfaces

Hybrid Organic–Inorganic Biomaterials as Drug Delivery Systems: A Molecular Dynamics Study of Quercetin Adsorption on Amorphous Silica Surfaces

Singlet Oxygen Photocatalytic Generation by Silanized TiO₂ Nanoparticles

Singlet Oxygen Photocatalytic Generation by Silanized TiO₂ Nanoparticles

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Development of sol-gel silica-based mixed-mode zwitterionic sorbents for determining drugs in environmental water samples

Cited by 7 publications

References 35 publications

Hybrid Organic–Inorganic Biomaterials as Drug Delivery Systems: A Molecular Dynamics Study of Quercetin Adsorption on Amorphous Silica Surfaces

Hybrid Organic–Inorganic Biomaterials as Drug Delivery Systems: A Molecular Dynamics Study of Quercetin Adsorption on Amorphous Silica Surfaces

Singlet Oxygen Photocatalytic Generation by Silanized TiO2 Nanoparticles

Singlet Oxygen Photocatalytic Generation by Silanized TiO2 Nanoparticles

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Product

Resources

About

Singlet Oxygen Photocatalytic Generation by Silanized TiO₂ Nanoparticles

Singlet Oxygen Photocatalytic Generation by Silanized TiO₂ Nanoparticles