Photocatalytic and antibacterial activity of graphene oxide/cellulose-doped TiO<sub>2</sub> quantum dots: <i>in silico</i> molecular docking studies

Ikram, Muhammad; Rasheed, F; Haider, Ali; Naz, Sadia; Ul‐Hamid, Anwar; Shahzadi, Anum; Haider, Junaid; Shahzadi, Iram; Hayat, Shoukat; Ali, Salamat

doi:10.1039/d2na00383j

Cited by 13 publications

(3 citation statements)

References 59 publications

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“…As depicted in Figure 12a, the data robustly illustrate a consistent reduction in AC levels upon exposure to these catalysts, thereby confirming their significant photodegradation capabilities. Conversely, control experiments involving only photolysis without these catalysts showed no significant change in AC concentration, unequivocally demonstrating that the photodegradation is primarily due to photocatalytic activities of these photocatalysts rather than mere photolysis [74,75].…”

Section: Photocatalytic Activitymentioning

confidence: 99%

Constructing Direct Z-Scheme Y2TmSbO7/GdYBiNbO7 Heterojunction Photocatalyst with Enhanced Photocatalytic Degradation of Acetochlor under Visible Light Irradiation

Hao,

Luan

2024

IJMS

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This study presents a pioneering synthesis of a direct Z-scheme Y2TmSbO7/GdYBiNbO7 heterojunction photocatalyst (YGHP) using an ultrasound-assisted hydrothermal synthesis technique. Additionally, novel photocatalytic nanomaterials, namely Y2TmSbO7 and GdYBiNbO7, were fabricated via the hydrothermal fabrication technique. A comprehensive range of characterization techniques, including X-ray diffractometry, Fourier-transform infrared spectroscopy, Raman spectroscopy, UV-visible spectrophotometry, X-ray photoelectron spectroscopy, transmission electron microscopy, X-ray energy-dispersive spectroscopy, fluorescence spectroscopy, photocurrent testing, electrochemical impedance spectroscopy, ultraviolet photoelectron spectroscopy, and electron paramagnetic resonance, was employed to thoroughly investigate the morphological features, composition, chemical, optical, and photoelectric properties of the fabricated samples. The photocatalytic performance of YGHP was assessed in the degradation of the pesticide acetochlor (AC) and the mineralization of total organic carbon (TOC) under visible light exposure, demonstrating eximious removal efficiencies. Specifically, AC and TOC exhibited removal rates of 99.75% and 97.90%, respectively. Comparative analysis revealed that YGHP showcased significantly higher removal efficiencies for AC compared to the Y2TmSbO7, GdYBiNbO7, or N-doped TiO2 photocatalyst, with removal rates being 1.12 times, 1.21 times, or 3.07 times higher, respectively. Similarly, YGHP demonstrated substantially higher removal efficiencies for TOC than the aforementioned photocatalysts, with removal rates 1.15 times, 1.28 times, or 3.51 times higher, respectively. These improvements could be attributed to the Z-scheme charge transfer configuration, which preserved the preferable redox capacities of Y2TmSbO7 and GdYBiNbO7. Furthermore, the stability and durability of YGHP were confirmed, affirming its potential for practical applications. Trapping experiments and electron spin resonance analyses identified active species generated by YGHP, namely •OH, •O2−, and h+, allowing for comprehensive analysis of the degradation mechanisms and pathways of AC. Overall, this investigation advances the development of efficient Z-scheme heterostructural materials and provides valuable insights into formulating sustainable remediation strategies for combatting AC contamination.

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Section: Photocatalytic Activitymentioning

confidence: 99%

Constructing Direct Z-Scheme Y2TmSbO7/GdYBiNbO7 Heterojunction Photocatalyst with Enhanced Photocatalytic Degradation of Acetochlor under Visible Light Irradiation

Hao,

Luan

2024

IJMS

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“…Molecular docking on DNA gyrase and dihydropteroate synthase (PDB ID: 5MMN; (Resolution: 1.90) , and 5U0V (DHPS E. coli )) was the focus concerning nucleic acid and folate biosynthesis pathways, separately. All three-dimensional structures were obtained through a database of proteins with the corresponding PDB IDs.…”

Section: Experimental Sectionmentioning

confidence: 99%

Efficient Samarium-Grafted-C₃N₄-Doped α-MoO₃ Used as a Dye Degrader and Antibacterial Agent: In Silico Molecular Docking Study

Shabbir,

Imran,

Haider

et al. 2023

ACS Omega

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This study was used to evaluate the catalytic activity (CA) and bactericidal activity of α-MoO3 and Sm-g-C3N4-doped α-MoO3 composites prepared through an efficient, cost-effective coprecipitation route. Their characteristic studies verify the formation of α-MoO3 and its composites (3, 6, and 9 mL Sm-g-C3N4-doped α-MoO3), which showed high crystallinity, as confirmed by X-ray diffraction (XRD) analysis. The production of superoxide and hydroxyl radicals due to charge transfer through α-MoO3 and g-C3N4 eventually forms electrons in g-C3N4 and holes around α-MoO3. CA against Rhodamine B (RhB) in basic medium provides maximum results compared to acidic and neutral media. The bactericidal efficacy of the (9 mL) doped sample represents a greater inhibition zone of 6.10 mm against the negative bacterial strain Escherichia coli. Furthermore, in silico studies showed that the generated nanorods may inhibit DNA gyrase and dihydropteroate synthase (DHPS) enzymes.

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“…In Franz diffusion modelling, release kinetics were based on Hixson. Based on the selected clinical application of pancreatic cancer, the optimal design parameters were estimated for the maximum bioavailability of the drug, along with the selection of the optimal polymeric composite H-n-HAP/GO suitable for different dosing regimens [29]- [31].…”

Section: Simulation; In Silico Modellingmentioning

confidence: 99%

Design, Characterization and in vitro Simulations of nano-HAP/GO Composite Drug Delivery System Produced by Hydrothermal Methods Loaded with Paclitaxel

Çiftçi

2023

Cumhuriyet Science Journal

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In this study, it was aimed to develop a nano drug system that can be used in passive targeting in pancreatic cancer treatment. Hydroxyapatite nanocrystals (n-HAP) produced by hydrothermal process and graphene oxide (GO) produced by hummers method were used to increase the carrier capacity of the nano drug system and to activate the drug release kinetics and drug loading capacity. Analyses performed for nanocomposite drug carrier systems; FT-IR, XRD, TGA, BET analysis, Zeta potential, TEM and SEM. Paclitaxel (PTX), a chemotherapeutic drug used in the treatment of pancreatic cancer, was loaded into HAP nanocrystals (PTX- loaded n-HAP) and its activity on pancreatic cancer cells was investigated. When PTX was 1 and 2 mg, Encapsulation Efficiency (EE) and Drug Loading Content (LC) were 79.17-72.24% and 80.01-80.27%, respectively, for H-n-HAP crystal structure only, while EE and LC were 88.57-81.57% and 90.84-110.57%, respectively, when H-n-HAP crystal structure was loaded with 1 and 2 mg PTX together with GO. Here, it was observed PTX release profiles are according to the Hixson model. According to Fick's law, release profile was observed with values of k=1.89, n=0.21, SSD=0.04, R2=0.997, FIC=2.03, SD=0.004. In cell culture studies, as GO nanomaterials were loaded into H-n-HAP nanocrystal structure, the effect of PTX drug on pancreatic cancer increased and the viability of cancer cells decreased. It can be concluded that H-n-HAP/GO/PTX nanocomposite structure kills more pancreatic cancer cells with synergistic effect.

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Photocatalytic and antibacterial activity of graphene oxide/cellulose-doped TiO₂ quantum dots: in silico molecular docking studies

Abstract: Graphene oxide (GO) and cellulose nanocrystal (CNC)-doped TiO2 quantum dots (QDs) were effectively synthesized by employing the co-precipitation method for dye degradation and antimicrobial applications. A series of characterizations, i.e.,...

Cited by 13 publications

References 59 publications

Constructing Direct Z-Scheme Y2TmSbO7/GdYBiNbO7 Heterojunction Photocatalyst with Enhanced Photocatalytic Degradation of Acetochlor under Visible Light Irradiation

Constructing Direct Z-Scheme Y2TmSbO7/GdYBiNbO7 Heterojunction Photocatalyst with Enhanced Photocatalytic Degradation of Acetochlor under Visible Light Irradiation

Efficient Samarium-Grafted-C₃N₄-Doped α-MoO₃ Used as a Dye Degrader and Antibacterial Agent: In Silico Molecular Docking Study

Design, Characterization and in vitro Simulations of nano-HAP/GO Composite Drug Delivery System Produced by Hydrothermal Methods Loaded with Paclitaxel

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Photocatalytic and antibacterial activity of graphene oxide/cellulose-doped TiO2 quantum dots: in silico molecular docking studies

Abstract: Graphene oxide (GO) and cellulose nanocrystal (CNC)-doped TiO2 quantum dots (QDs) were effectively synthesized by employing the co-precipitation method for dye degradation and antimicrobial applications. A series of characterizations, i.e.,...

Cited by 13 publications

References 59 publications

Constructing Direct Z-Scheme Y2TmSbO7/GdYBiNbO7 Heterojunction Photocatalyst with Enhanced Photocatalytic Degradation of Acetochlor under Visible Light Irradiation

Constructing Direct Z-Scheme Y2TmSbO7/GdYBiNbO7 Heterojunction Photocatalyst with Enhanced Photocatalytic Degradation of Acetochlor under Visible Light Irradiation

Efficient Samarium-Grafted-C3N4-Doped α-MoO3 Used as a Dye Degrader and Antibacterial Agent: In Silico Molecular Docking Study

Design, Characterization and in vitro Simulations of nano-HAP/GO Composite Drug Delivery System Produced by Hydrothermal Methods Loaded with Paclitaxel

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Product

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Photocatalytic and antibacterial activity of graphene oxide/cellulose-doped TiO₂ quantum dots: in silico molecular docking studies

Efficient Samarium-Grafted-C₃N₄-Doped α-MoO₃ Used as a Dye Degrader and Antibacterial Agent: In Silico Molecular Docking Study