Carboxymethyl hemicellulose hydrogel as a fluorescent biosensor for bacterial and fungal detection with DFT and molecular docking studies

Scientific Reports, Journal Year: 2025, Volume and Issue: 15(1)

Published: Jan. 4, 2025

Abstract A new method was developed to quickly produce carboxymethyl hemicellulose (CM-Hemi) and fluorescent nitrogen-doped carbon dots (N–CDs) from sugarcane bagasse (SB). These materials were then combined with calcium chloride (CaCl₂) create hydrogel sensors antibacterial antifungal properties. The CM-Hemi@Ca-N–CDs effective against both Gram-negative ( Escherichia coli ) Gram-positive Staphylococcus aureus bacteria compared CM-Hemi@Ca which give no activity. Both hydrogels also exhibited properties Candida albicans . Molecular docking studies revealed that the had strong binding interactions protein (1.92 A°) compard (2.01 A°), aligned inhibition zone measurements test. fluorescence microscope differences in emitted light color when interacted different types of microorganisms, likely due variations their cell walls. Density functional theory (DFT) calculations indicate incorporation N–CDs into enhances its stability rigidity. This is evidenced by lower energy gap (E g ), higher electron affinity (μ), softness (S) hydrogel. Additionally, formation amide bonds between CM-Hemi contributes increased rigidity hydrogel.These findings supporting th effectiveness as an antibacterial/antifungal sensor.

Language: Английский

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Boosting Dielectric Properties of Polyethersulfone Membranes: A Strategy Using Cross-Linked Graphene Oxide/EDTA/Silane

ECS Journal of Solid State Science and Technology, Journal Year: 2025, Volume and Issue: 14(3), P. 031007 - 031007

Published: March 1, 2025

We investigated development and characterization of composite membranes based on grafted graphene oxide (GO) with ethylenediamine tetraacetic acid (EDTA)/silane loaded onto polyethersulfone (PES) for dielectric applications. Fourier transform infrared analysis confirmed the presence oxygen-containing groups GO introduction new peaks corresponding to EDTA/silane in membrane. X-ray diffraction revealed a shift peaks, indicating successful modification. Raman spectroscopy showed an increase defect ratio (ID/IG) after modification, suggesting interaction between GO. Transmission electron microscopy is expected show morphological changes upon incorporation EDTA/silane. Scanning PES change surface morphology from smooth small pores non-smooth addition GO/EDTA/silane. UV–vis indicated red absorption peak GO/EDTA/silane compared GO, decrease oxygenated groups. Dielectric properties measurements demonstrated enhanced permittivity improved polarization response containing pristine The constant at 1 kHz 2.42 increased gradually 4.82 15% GO/EDTA/Silane-doped composition. This improvement attributed conductive network, high area, functional within

Language: Английский

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Novel colored hydroxypropyl methyl cellulose/ magnetite carbon dots films for beef packaging with DFT calculations and molecular docking study

Scientific Reports, Journal Year: 2025, Volume and Issue: 15(1)

Published: March 25, 2025

Abstract This study investigates the preparation and characterization of a novel HPMC-MCDs (Hydroxypropyl methylcellulose-magnetite carbon dots) composite film for potential applications in food safety monitoring. While dots (CDs) offer promising sensing capabilities, their inherent lack color limits direct visual detection, limitation addressed this work by incorporating magnetite (Fe 3 O 4 ) to create visually discernible sensor. Characterization techniques, including XRD, FTIR, SEM, confirmed successful integration MCDs within HPMC matrix. The incorporation significantly reduced film’s surface roughness. exhibited remarkably smooth surface. DFT calculations revealed enhanced stability composite. Fluorescence studies demonstrated change upon interaction with Salmonella enterica B. cereus , suggesting bacterial detection. Furthermore, pH-sensitive behavior, changing response pH variations, making it candidate monitoring beef meat spoilage. These findings suggest that have serve as multifunctional platform applications.

Language: Английский

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Surface and Edge Functionalization of Carbon Nanotubes with Iron Oxide for Enhanced Gas Sensing: A Theoretical Investigation

Sensors and Actuators A Physical, Journal Year: 2025, Volume and Issue: unknown, P. 116565 - 116565

Published: April 1, 2025

Language: Английский

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Novel intelligent naked-eye food packaging pH-sensitive and fluorescent sulfur, nitrogen-carbon dots biosensors for tomato spoilage detection including DFT and molecular docking characterization

International Journal of Biological Macromolecules, Journal Year: 2025, Volume and Issue: unknown, P. 143330 - 143330

Published: April 1, 2025

Language: Английский

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Fullerene-Functionalized Cellulosic Hydrogel Biosensor with Bacterial Turn-on Fluorescence Response Derived from Carboxymethyl Cellulose for Intelligent Food Packaging with DFT Calculations and Molecular Docking

Gels, Journal Year: 2025, Volume and Issue: 11(5), P. 329 - 329

Published: April 28, 2025

This study reports the synthesis and characterization of a novel carboxymethyl cellulose–N-fullerene–g-poly(co-acrylamido-2-methyl-1-propane sulfonic acid) (CMC–N-fullerene–AMPS) hydrogel for potential application in biosensing within food packaging. The was synthesized via free radical polymerization characterized using FTIR, SEM, fluorescence microscopy. FTIR analysis confirmed successful grafting AMPS incorporation N-fullerenes, indicated by characteristic peaks shift N–H/O–H stretching frequency. Density Functional Theory (DFT) calculations revealed that CMC–N-fullerene–AMPS exhibited higher stability lower band gap energy (0.0871 eV) compared to CMC–AMPS hydrogel, which means high reactivity CMC–N-fullerene–AMPS. N-fullerenes significantly enhanced hydrogel’s antibacterial activity, demonstrating 22 mm inhibition zone against E. coli 24 S. aureus, suggesting active packaging applications. Critically, displayed unique “turn-on” response presence bacteria, with distinct color changes observed upon interaction (orange-red) aureus (bright green). enhancement, coupled porous morphology SEM (pore size 377–931 µm), suggests this as sensing platform bacterial contamination These combined properties activity distinct, bacteria-induced signal make promising candidate developing intelligent materials capable detecting spoilage.

Language: Английский

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Microwaved schiff base dialdehyde cellulose-chitosan hydrogels for sustained drug release with DFT calculations

BMC Chemistry, Journal Year: 2025, Volume and Issue: 19(1)

Published: May 2, 2025

Abstract Dialdehyde cellulose (DAC) prepared from sugarcane bagasse (SC) by an eco-friendly, fast and low-cost microwave method was used for loading sustained release of 4-aminoacetophenone (4-AAP). DAC reacted with chitosan (Ch) 4-AAP via a Schiff base reaction. FTIR analysis confirmed successful formation between Ch, evidenced the disappearance aldehyde peak at 1716 cm⁻ 1 appearance imine 1631 , as well strong hydrogen bonding incorporated 4-AAP, indicated shift in O–H stretch 3336 to 3330 .Swelling studies showed increased water absorption higher content, 4-AAP@DAC/Ch2 demonstrating pseudo-second-order kinetics non-Fickian diffusion. The DFT calculations revealed that 4-AAP@DAC/Ch hydrogel exhibited enhanced stability reactivity. A significantly reduced HOMO–LUMO energy gap, coupled negative Pi values, interactions DAC, chitosan, 4-AAP. high adsorption further supported observed slow drug release, validating experimental findings. Graphical

Language: Английский

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