A DFT theoretical and experimental study about tetracycline adsorption onto magnetic graphene oxide

Bruckmann, Franciele da Silva; Ledur, Cristian Mafra; Zanella, Ivana; Dotto, Guilherme Luiz; Rhoden, Cristiano Rodrigo Bohn

doi:10.1016/j.molliq.2022.118837

Cited by 53 publications

(27 citation statements)

References 40 publications

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“…The reaction was spontaneous, exothermic, and chemical, according to the thermodynamic characteristics. Theoretical and experimental analyses were in agreement, demonstrating that tetracycline adsorption on GOFe 3 O 4 is mediated by a chemisorption process …”

Section: Computational Studiesmentioning

confidence: 95%

“…Theoretical and experimental analyses were in agreement, demonstrating that tetracycline adsorption on GOFe 3 O 4 is mediated by a chemisorption process. 246 A complex of Cu with N,N′-bis(4-hydroxysalicylaldehyde)ethylenediamine (Salen) was incorporated on Cl-modified GO, resulting in a heterogeneous catalyst (Cu-f-GO). The structural and electrical characteristics as well as the system that determines SOCl 2 with each accessible functional group of GO were investigated using first-principles-based DFT.…”

Section: Computational Studiesmentioning

confidence: 99%

“…Theoretical and experimental analyses were in agreement, demonstrating that tetracycline adsorption on GOFe 3 O 4 is mediated by a chemisorption process. 263 …”

Section: Computational Studiesmentioning

confidence: 99%

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An Update on Graphene Oxide: Applications and Toxicity

et al. 2022

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Graphene oxide (GO) has attracted much attention in the past few years because of its interesting and promising electrical, thermal, mechanical, and structural properties. These properties can be altered, as GO can be readily functionalized. Brodie synthesized the GO in 1859 by reacting graphite with KClO 3 in the presence of fuming HNO 3 ; the reaction took 3−4 days to complete at 333 K. Since then, various schemes have been developed to reduce the reaction time, increase the yield, and minimize the release of toxic byproducts (NO 2 and N 2 O 4 ). The modified Hummers method has been widely accepted to produce GO in bulk. Due to its versatile characteristics, GO has a wide range of applications in different fields like tissue engineering, photocatalysis, catalysis, and biomedical applications. Its porous structure is considered appropriate for tissue and organ regeneration. Various branches of tissue engineering are being extensively explored, such as bone, neural, dentistry, cartilage, and skin tissue engineering. The band gap of GO can be easily tuned, and therefore it has a wide range of photocatalytic applications as well: the degradation of organic contaminants, hydrogen generation, and CO 2 reduction, etc. GO could be a potential nanocarrier in drug delivery systems, gene delivery, biological sensing, and antibacterial nanocomposites due to its large surface area and high density, as it is highly functionalized with oxygen-containing functional groups. GO or its composites are found to be toxic to various biological species and as also discussed in this review. It has been observed that superoxide dismutase (SOD) and reactive oxygen species (ROS) levels gradually increase over a period after GO is introduced in the biological systems. Hence, GO at specific concentrations is toxic for various species like earthworms, Chironomus riparius, Zebrafish, etc.

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Section: Computational Studiesmentioning

confidence: 95%

Section: Computational Studiesmentioning

confidence: 99%

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An Update on Graphene Oxide: Applications and Toxicity

et al. 2022

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“…Nanocomposites are multiphase materials formed by a continuous and dispersed phase and have at least one dimension in the nanoscale [ 20 ]. The continuous phase (matrix) consists of a compound of polymeric, ceramic, or metallic origin, while the dispersed phase (reinforcement) is commonly derived from fibrous materials [ 21 , 22 , 23 ].…”

Section: Introductionmentioning

confidence: 99%

Adsorption and Photocatalytic Degradation of Pesticides into Nanocomposites: A Review

et al. 2022

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The extensive use of pesticides in agriculture has significantly impacted the environment and human health, as these pollutants are inadequately disposed of into water bodies. In addition, pesticides can cause adverse effects on humans and aquatic animals due to their incomplete removal from the aqueous medium by conventional wastewater treatments. Therefore, processes such as heterogeneous photocatalysis and adsorption by nanocomposites have received special attention in the scientific community due to their unique properties and ability to degrade and remove several organic pollutants, including pesticides. This report reviews the use of nanocomposites in pesticide adsorption and photocatalytic degradation from aqueous solutions. A bibliographic search was performed using the ScienceDirect, American Chemical Society (ACS), and Royal Society of Chemistry (RSC) indexes, using Boolean logic and the following descriptors: “pesticide degradation” AND “photocatalysis” AND “nanocomposites”; “nanocomposites” AND “pesticides” AND “adsorption”. The search was limited to research article documents in the last ten years (from January 2012 to June 2022). The results made it possible to verify that the most dangerous pesticides are not the most commonly degraded/removed from wastewater. At the same time, the potential of the supported nanocatalysts and nanoadsorbents in the decontamination of wastewater-containing pesticides is confirmed once they present reduced bandgap energy, which occurs over a wide range of wavelengths. Moreover, due to the great affinity of the supported nanocatalysts with pesticides, better charge separation, high removal, and degradation values are reported for these organic compounds. Thus, the class of the nanocomposites investigated in this work, magnetic or not, can be characterized as suitable nanomaterials with potential and unique properties useful in heterogeneous photocatalysts and the adsorption of pesticides.

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“…4,9,10 During the application of adsorption technique, selecting a suitable adsorbent is the most important step. The commonly used adsorbents for the removal of TCs include graphene oxide, 11 activated carbon, 12 zeolite-based composites, 13 nanomaterials, 14 organic polymers, 15 and so on. Owing to the disadvantages of some conventional adsorbents, such as poor adsorption capability and bad separation ability, it is still very meaningful and attractive for researchers to develop novel adsorbents with low cost, satisfactory removal performance, fast solid-liquid separation speed and easy reusability.…”

Section: Introductionmentioning

confidence: 99%