scholarly journals Prewetting Induced Hydrophilicity to Augment Photocatalytic Activity of Nanocalcite @ Polyester Fabric

Polymers ◽  
2022 ◽  
Vol 14 (2) ◽  
pp. 295
Author(s):  
Ayesha Qayyum ◽  
Ijaz Ahmad Bhatti ◽  
Ambreen Ashar ◽  
Asim Jilani ◽  
Javed Iqbal ◽  
...  
Keyword(s):  
Photocatalytic Activity ◽  
Charge Density ◽  
Density Functional ◽  
Morphological Characteristics ◽  
Polyester Fabric ◽  
Hydroxyl Groups ◽  
Solar Exposure ◽  
Rhombohedral Crystal Structure ◽  
Initial Ph ◽  
Surface Modified

To eliminate imidacloprid insecticide from wastewater, nanocalcite was grafted onto the surface of pretreated polyester fabric. The process of seeding was followed by the low temperature hydrothermal method for the growth of nanocalcite for the functionalization of fabric. The goal of this study was to improve the hydrophilicity of the nanocalcite photocatalyst that had been grafted onto the surface of polyester fabric (PF) using acidic and basic prewetting techniques. The morphological characteristics, crystalline nature, surface charge density, functional groups of surface-modified nanocalcite @ PF were determined via SEM, XRD, FTIR, and Zeta potential (ZP), respectively. Characterization results critically disclosed surface roughness due to excessive induction of hydroxyl groups, rhombohedral crystal structure, and high charge density (0.721 mS/cm). Moreover, contact angle of nanocalcite @ PF was calculated to be 137.54° while after acidic and basic prewetting, it was reduced to 87.17° and 48.19°. Similarly, bandgap of the as fabricated nanocalcite was found to be 3.5 eV, while basic prewetted PF showed a reduction in band gap (2.9 eV). The solar photocatalytic mineralization of imidacloprid as a probe pollutant was used to assess the improvement in photocatalytic activity of nanocalcite @ PF after prewetting. Response surface methodology was used to statistically optimize the solar exposure time, concentration of the oxidant, and initial pH of the reaction mixture. Maximum solar photocatalytic degradation of the imidacloprid was achieved by basic prewetted nanocalcite @ PF (up to 91.49%), which was superior to acidic prewetted fabric and as-fabricated nanocalcite @ PF. Furthermore, HPLC and FTIR findings further indicated that imidacloprid was decomposed vastly to harmless species by basic prewetted nanocalcite @ PF.

scholarly journals Effects of Hydroxyl Group on the Interaction of Carboxylated Flavonoid Derivatives with S. Cerevisiae α-Glucosidase

2020 ◽  
Vol 16 (1) ◽  
pp. 31-44
Author(s):  
Huining Lu ◽  
Yanjiao Qi ◽  
Yaming Zhao ◽  
Nengzhi Jin
Keyword(s):  
Hydrogen Atom ◽  
Charge Density ◽  
Density Functional ◽  
Noncovalent Interactions ◽  
Hydroxyl Group ◽  
Hydroxyl Groups ◽  
Binding Affinities ◽  
Functional Theory ◽  
Density Analysis ◽  
Hydroxyl Hydrogen

Introduction: Carboxyalkyl flavonoids derivatives are considered as effective inhibitors in reducing post-prandial hyperglycaemia. Methods: Combined with Density Functional Theory (DFT) and the theory of Atoms in Molecules (AIM), molecular docking and charge density analysis are carried out to understand the molecular flexibility, charge density distribution and the electrostatic properties of these carboxyalkyl derivatives. Results: Results show that the electron density of the chemical bond C14-O17 on B ring of molecule II increases while O17-H18 decreases at the active site, suggesting the existence of weak noncovalent interactions, most prominent of which are H-bonding and electrostatic interaction. When hydroxyl groups are introduced, the highest positive electrostatic potentials are distributed near the B ring hydroxyl hydrogen atom and the carboxyl hydrogen atom on the A ring. It was reported that quercetin has a considerably inhibitory activity to S. cerevisiae α-glucosidase, from the binding affinities, it is suggested that the position and number of hydroxyl groups on the B and C rings are also pivotal to the hypoglycemic activity when the long carboxyalkyl group is introduced into the A ring. Conclusion: It is concluded that the presence of three well-defined zones in the structure, both hydrophobicity alkyl, hydrophilicity carboxyl and hydroxyl groups are necessary.

Bifunctional 4MBA mediated recyclable SERS-based immunoassay induced by photocatalytic activity of TiO2 nanotube arrays

2016 ◽  
Vol 18 (34) ◽  
pp. 23795-23802 ◽  
Author(s):  
Xiaolong Wang ◽  
Lu Zhou ◽  
Wei Lai ◽  
Tao Jiang ◽  
Jun Zhou
Keyword(s):  
Density Functional Theory ◽  
Photocatalytic Activity ◽  
Detection Limit ◽  
Uv Irradiation ◽  
Density Functional ◽  
Tio2 Nanotube Arrays ◽  
Tio2 Nanotube ◽  
Nanotube Arrays ◽  
Functional Theory ◽  
Low Detection Limit

We present a recyclable SERS-based immunoassay for CA19-9 with a low detection limit of 5 U mL−1. The linking between TiO2-NTs and 4MBA was destroyed by catalyzing 4MBA into 4-sulfobenzoate upon UV irradiation, which was clarified by UPLC/ESI-tqMS and density functional theory.

Enhanced photocatalytic activity of CeO2 using β-cyclodextrin on visible light assisted decoloration of methylene blue

2013 ◽  
Vol 69 (1) ◽  
pp. 113-119 ◽  
Author(s):  
Sakthivel Pitchaimuthu ◽  
Ponnusamy Velusamy
Keyword(s):  
Methylene Blue ◽  
Photocatalytic Activity ◽  
Visible Light ◽  
Inclusion Complexation ◽  
Processing Parameters ◽  
Operational Parameters ◽  
Illumination Time ◽  
Operational Conditions ◽  
Electron Microscopy Analysis ◽  
Initial Ph

An attempt has been made to enhance the photocatalytic activity of CeO2 for visible light assisted decoloration of methylene blue (MB) dye in aqueous solutions by β-cyclodextrin (β-CD). The inclusion complexation patterns between host and guest (i.e., β-CD and MB) have been confirmed with UV–visible spectral data. The interaction between CeO2 and β-CD has also been characterized by field emission scanning electron microscopy analysis. The photocatalytic activity of the catalyst under visible light was investigated by measuring the photodegradation of MB in aqueous solution. The effects of key operational parameters such as initial dye concentration, initial pH, CeO2 concentration as well as illumination time on the decolorization extents were investigated. Among the processing parameters, the pH of the reaction solution played an important role in tuning the photocatalytic activity of CeO2. The maximum photodecoloration rate was achieved at basic pH (pH 11). Under the optimum operational conditions, approximately 99.6% dye removal was achieved within 120 min. The observed results indicate that the decolorization of the MB followed a pseudo-first order kinetics.

scholarly journals Facile Preparation of Efficient WO3Photocatalysts Based on Surface Modification

2015 ◽  
Vol 2015 ◽  
pp. 1-7 ◽  
Author(s):  
Min Liu ◽  
Hongmei Li ◽  
Yangsu Zeng
Keyword(s):  
Photocatalytic Activity ◽  
Surface Modification ◽  
Visible Light ◽  
Photoelectron Spectroscopy ◽  
Impregnation Method ◽  
Light Spectra ◽  
Simple Strategy ◽  
Visible Light Active ◽  
Efficient Charge ◽  
Surface Modified

Tungsten trioxide (WO3) was surface modified with Cu(II) nanoclusters and titanium dioxide (TiO2) nanopowders by using a simple impregnation method followed by a physical combining method. The obtained nanocomposites were studied by scanning electron microscope, X-ray photoelectron spectroscopy spectra, UV-visible light spectra, and photoluminescence, respectively. Although the photocatalytic activity of WO3was negligible under visible light irradiation, the visible light photocatalytic activity of WO3was drastically enhanced by surface modification of Cu(II) nanoclusters and TiO2nanopowders. The enhanced photocatalytic activity is due to the efficient charge separation by TiO2and Cu(II) nanoclusters functioning as cocatalysts on the surface. Thus, this simple strategy provides a facile route to prepare efficient visible-light-active photocatalysts for practical application.

Density functional theory for the selective adsorption of small molecules on a surface modified with polymer brushes

2012 ◽  
Vol 38 (4) ◽  
pp. 274-283 ◽  
Author(s):  
Yuli Xu ◽  
Xueqian Chen ◽  
Houyang Chen ◽  
Shouhong Xu ◽  
Honglai Liu ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Small Molecules ◽  
Polymer Brushes ◽  
Density Functional ◽  
Selective Adsorption ◽  
Functional Theory ◽  
Surface Modified

Controllable synthesis of phosphate-modified BiPO4 nanorods with high photocatalytic activity: surface hydroxyl groups concentrations effects

RSC Advances ◽  
2015 ◽  
Vol 5 (121) ◽  
pp. 99712-99721 ◽  
Author(s):  
Yan Li ◽  
Yawen Wang ◽  
Yu Huang ◽  
Junji Cao ◽  
Wingkei Ho ◽  
...  
Keyword(s):  
Photocatalytic Activity ◽  
Surface Modification ◽  
Photocatalytic Performance ◽  
High Photocatalytic Activity ◽  
Hydroxyl Groups ◽  
Controllable Synthesis ◽  
Surface Hydroxyl ◽  
Methylene Orange ◽  
Surface Hydroxyl Groups

Surface modification by phosphate efficiently improves the photocatalytic performance of BiPO4 for the degradation of methylene orange (MO), by enhancing the concentration of surface hydroxyl groups and improving its hydrophilicity.

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