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1.
J Mol Graph Model ; 125: 108609, 2023 12.
Article in English | MEDLINE | ID: mdl-37647724

ABSTRACT

In this paper we have studied the density functional theory of four drugs ibuprofen, alendronate, Sulfasalazine and paracetamol with quartz, propylamine, trimethylamine functionalized quartz and carboxyl modified carbon nanotube. The attractive and repulsive interaction energies between drugs and quartz is obtained at various pH values. The attractive and repulsive energies are well correlated with experimental drug loading and releasing behavior by mesoporous silica nanoparticles. Further, a theoretical model is developed that accounts the electrostatic interaction between silica and drug and the model can predict the drug loading and releasing behavior by silica nanoparticles at various pH values. Sulfasalazine can be taken orally and loaded with trimethyl ammonium functionalized mesoporous silica nanoparticles, which keeps the drug in tact with the carrier in the acidic environment of the stomach and releases it into the neutral or basic medium of the small intestine. Alendronate may be loaded and released from propylamine functionalized mesoporous silica nanoparticles in the ranges of 1-5 and > 8, respectively. Ibuprofen is absorbed in an acidic environment and released in basic conditions for carboxyl modified carbon nanotube. The loading and releasing pH ranges for paracetamol in trimethylammonium functionalized mesoporous silica nanoparticles are 4-8 and >8, respectively. We also convert the pH-dependent variant of the diffusion-controlled Higuchi equation. We have changed the original Higuchi equation to produce the pH-dependent variation by incorporating the Nernst-Planck equation into Flick's first law. The updated equation could be used to forecast when medication particles with varying release times will emerge from a nanoparticles matrix.


Subject(s)
Nanotubes, Carbon , Silicon Dioxide , Quartz , Acetaminophen , Alendronate , Ibuprofen , Sulfasalazine , Drug Delivery Systems , Hydrogen-Ion Concentration
2.
Nanomaterials (Basel) ; 12(8)2022 Apr 07.
Article in English | MEDLINE | ID: mdl-35457948

ABSTRACT

A simple temperature-assisted solution interaction technique was used to functionalize and reduce graphene oxide (GO) using tetraethylenepentamine (TEPA) with less chemicals, low temperature, and without using other reducing agents. GO nanosheets, produced using a modified Hummers' method, were functionalized using two different GO:TEPA ratios (1:5 and 1:10). The reduction of GO was evaluated and confirmed by different spectroscopic and microscopic techniques. The FTIR and XPS spectra revealed that most of the oxygenated groups of GO were reduced. The emergence of amide groups in the XPS survey of the rGO-TEPA samples confirmed the successful reaction of TEPA with the carboxyl groups on the edges of GO. The replacement of the oxygenated groups increased the carbon/oxygen (C/O) ratio of GO by approximately 60%, suggesting a good reduction degree. It was found that the I2D/ID+D' ratio and the relative intensity of the D″ band clearly increased after the reduction reaction, suggesting that these bands are good estimators for the reduction degree of GO. The morphological structure of GO was also affected by the reaction with TEPA, which was confirmed by SEM and TEM images. The TEM images showed that the transparent GO sheets became denser and opaque after functionalization with TEPA, indicating an increase in the stacking level of the GO sheets. This was further confirmed by the XRD analysis, which showed a clear decrease in the d-spacing, caused by the removal of oxygenated groups during the reduction reaction.

3.
Nanomaterials (Basel) ; 12(1)2021 Dec 29.
Article in English | MEDLINE | ID: mdl-35010035

ABSTRACT

The vast demand for petroleum industry products led to the increased production of oily wastewaters and has led to many possible separation technologies. In addition to production-related oily wastewater, direct oil spills are associated with detrimental effects on the local ecosystems. Accordingly, this review paper aims to tackle the oil spill cleanup issue as well as water separation by providing a wide range of graphene-based technologies. These include graphene-based membranes; graphene sponges; graphene-decorated meshes; graphene hydrogels; graphene aerogels; graphene foam; and graphene-coated cotton. Sponges and aerogels modified by graphene and reduced graphene oxide demonstrated effective oil water separation owing to their superhydrophobic/superoleophilic properties. In addition, oil particles are intercepted while allowing water molecules to penetrate the graphene-oxide-coated metal meshes and membranes thanks to their superhydrophilic/underwater superoleophobic properties. Finally, we offer future perspectives on oil water separation that are hindering the advancements of such technologies and their large-scale applications.

5.
ACS Omega ; 4(3): 4671-4678, 2019 Mar 31.
Article in English | MEDLINE | ID: mdl-31459654

ABSTRACT

Designing efficient 2D-bismuth oxychloride (BiOCl)/2D-g-C3N4 heterojunction photocatalysts by the microwave-assisted method was studied in this work using different amounts of BiOCl plates coupled with g-C3N4 nanosheets. The effects of coupling the 2D structure of g-C3N4 with the 2D structure of BiOCl were systematically examined by scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy, X-ray diffraction, photoluminescence (PL), lifetime decay measurement, surface charges of the samples at various pH conditions, and UV-vis diffuse reflectance spectroscopy (UV-vis DRS). The prepared photocatalysts were used for the degradation of amine-based pharmaceuticals, and nizatidine was used as a model pollutant to evaluate the photocatalytic activity. The UV-vis DRS and other optical properties indicated the major effect of coupling of BiOCl with g-C3N4 into a 2D/2D structure. The results showed a narrowing in the band gap energy of the composite form, whereas the PL and lifetime analysis showed greater inhibition of the electron-hole recombination process and slightly longer charge carrier lifetime. Accordingly, the BiOCl/g-C3N4 composite samples exhibited an enhancement in the photocatalytic performance, specifically for the 10% BiOCl/g-C3N4 sample. Moreover, the zeta potential of this sample at different pH values was evaluated to determine the isoelectric point of the synthesized composite material. Consequently, the pH was adjusted to match the isoelectric point of the complex materials, which further enhanced the activity. Further degradation of pharmaceuticals was studied under solar light irradiation, and 96% degradation was achieved within 30 min.

6.
Rev Environ Health ; 31(1): 75-8, 2016 Mar.
Article in English | MEDLINE | ID: mdl-26812846

ABSTRACT

Pharmaceuticals, newly recognized classes of environmental pollutants, are becoming increasingly problematic contaminants of either surface water or ground water around industrial and residential communities. Pharmaceuticals are constantly released into aquatic environments, mainly due to their widespread consumption and complicated removal in wastewater treatment plants. Heterogeneous photocatalysis appear to be one of the most destructive advanced oxidation processes (AOPs) for organic contaminants and are possible to obtain complete mineralization of organic pollutants into eco-friendly end products under visible and solar light irradiation. In this study, flower-like In2S3 hierarchical nanostructures were successfully prepared via a facile solution-phase route, using thioacetamide as both sulfur source and capping agent. X-ray diffractometry (XRD) of the flowers revealed that the cubic structure of In2S3; morphological studies examined by scanning electron microscopy (SEM) showed the synthesized In2S3 nanostructure was flower-like hierarchitecture assembled from nanoscale flakes. X-ray photoelectron spectroscopy (XPS) analysis confirmed the stoichiometry of In2S3 nanoflowers. Furthermore, the photocatalytic activity studies revealed that the prepared indium(III) sulfide(In2S3) nanoflowers exhibit an excellent photocatalytic performance, degrading rapidly the aqueous pharmaceutical solution of Lisinopril under visible light irradiation. These results suggest that In2S3 nanoflowers will be a promising candidate of photocatalyst working in thevisible light range.


Subject(s)
Lisinopril/chemistry , Metal Nanoparticles/chemistry , Photolysis , Waste Disposal, Fluid/methods , Water Pollutants, Chemical/chemistry , Angiotensin-Converting Enzyme Inhibitors/chemistry , Angiotensin-Converting Enzyme Inhibitors/radiation effects , Indium , Lisinopril/radiation effects , Nanotechnology , Sulfides , Wastewater/analysis , Water Pollutants, Chemical/radiation effects
7.
Rev Environ Health ; 29(1-2): 109-12, 2014.
Article in English | MEDLINE | ID: mdl-24566352

ABSTRACT

Volatile organic compounds (VOCs) are major pollutants and are considered to be one of the most important contaminants generated by human beings living in urban and industrial areas. Methyl tert-butyl ether (MTBE) is a VOC that has been widely used as a gasoline additive to reduce VOC emissions from motor vehicles. However, new gasoline additives like MTBE are having negative environmental impacts. Recent survey reports clearly show that groundwater is often polluted owing to leakage of petroleum products from underground storage tanks. MTBE is highly soluble in water (e.g., 0.35-0.71 M) and has been detected at high concentrations in groundwater. The presence of MTBE in groundwater poses a potential health problem. The documented effects of MTBE exposure are headaches, vomiting, diarrhea, fever, cough, muscle aches, sleepiness, disorientation, dizziness, and skin and eye irritation. To address these problems, photocatalytic treatment is the preferred treatment for polluted water. In the present work, a simple and template-free solution phase synthesis method has been developed for the preparation of novel cadmium sulfide (CdS) hollow microspheres using cadmium nitrate and thioacetamide precursors. The synthesized products have been characterized by a variety of methods, including X-ray powder diffraction, high-resolution scanning electron microscopy (HR-SEM), X-ray photoelectron spectroscopy, and UV-visible diffused reflectance spectroscopy. The HR-SEM measurements revealed the spherical morphology of the CdS microspheres, which evolved by the oriented aggregation of the primary CdS nanocrystals. Furthermore, studies of photocatalytic activity revealed that the synthesized CdS hollow microspheres exhibit an excellent photocatalytic performance in rapidly degrading MTBE in aqueous solution under visible light illumination. These results suggest that CdS microspheres will be an interesting candidate for photocatalytic detoxification studies under visible light radiation.


Subject(s)
Environmental Restoration and Remediation/methods , Nanostructures/chemistry , Volatile Organic Compounds/chemistry , Water Pollutants, Chemical/chemistry
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