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13 pages, 1238 KB

Open AccessProceeding Paper

A Brief Review on the Exploration of Nanocomposites and Their Properties Through Computational Methods for Biological Activity Evaluation

by Nashra Fatima, Ekhlakh Veg and Tahmeena Khan

Mater. Proc. 2025, 25(1), 1; https://doi.org/10.3390/materproc2025025001 - 6 Nov 2025

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Abstract

This brief review examines the application of various computational approaches to investigate the physicochemical and interfacial properties of nanocomposite systems. Density functional theory (DFT), a quantum-mechanical technique, examines the fundamental properties of nanomaterials. Molecular docking studies have also been explored to show how [...] Read more.

This brief review examines the application of various computational approaches to investigate the physicochemical and interfacial properties of nanocomposite systems. Density functional theory (DFT), a quantum-mechanical technique, examines the fundamental properties of nanomaterials. Molecular docking studies have also been explored to show how different biological macromolecules can interact and bind with the nanoparticles (NPs’) surface, along with the molecular dynamics (MDs) simulations, which further strengthen the docking findings. Furthermore, nanotoxicology, a comparatively less explored field, has also been introduced, providing an insight into the interactions between nanomaterials and the environment and biological systems, including the harmful consequences. Full article

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5 pages, 573 KB

Open AccessProceeding Paper

Selectivity Performance and Antifouling Properties of Modified Chitosan Composites

by Anthony C. Ogazi

Mater. Proc. 2025, 25(1), 2; https://doi.org/10.3390/materproc2025025002 - 6 Nov 2025

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Abstract

This study investigated the functionality and antifouling capabilities of the chitosan–silver nanoparticle–graphene oxide (CS/AgNPs/GO) composite membrane. An increase in the molecular interaction between the membrane surface and bovine serum albumin solution enhanced the flow recovery rate (FRR) due to the presence of amide [...] Read more.

This study investigated the functionality and antifouling capabilities of the chitosan–silver nanoparticle–graphene oxide (CS/AgNPs/GO) composite membrane. An increase in the molecular interaction between the membrane surface and bovine serum albumin solution enhanced the flow recovery rate (FRR) due to the presence of amide -NH₂ and -OH groups. The modified CS composite showed a strong ability to prevent fouling, achieving over 77.5% due to greater interfacial intermolecular bonding. In addition, the tensile strength of the membrane composite improved from 42.7 to 49.6 MPa with an increase in the concentration of dimethylacetamide employed as a plasticizer. Therefore, efficient molecular interactions within the polymer matrix would significantly influence the membrane’s flux recovery rate, tensile strength, and ability to prevent fouling. Full article

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7 pages, 1929 KB

Open AccessProceeding Paper

Functionalization of Multi-Walled Carbon Nanotubes (MWNTs) for Sulfonated Polyether Ether Ketone (SPEEK)/MWNT Composite Elaboration

by Moulay Rachid Babaa

Mater. Proc. 2025, 25(1), 3; https://doi.org/10.3390/materproc2025025003 - 12 Nov 2025

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Abstract

In this study, we present the covalent functionalization of pristine multi-walled carbon nanotubes (P-MWNTs) with sulphonate poly(ether ether ketone) (SPEEK) chains, employing hexane diamine as an interlinking molecule. SPEEK-functionalized MWNTs were then used to create SPEEK-MWNT/SPEEK composites. We used FTIR spectroscopy to confirm [...] Read more.

In this study, we present the covalent functionalization of pristine multi-walled carbon nanotubes (P-MWNTs) with sulphonate poly(ether ether ketone) (SPEEK) chains, employing hexane diamine as an interlinking molecule. SPEEK-functionalized MWNTs were then used to create SPEEK-MWNT/SPEEK composites. We used FTIR spectroscopy to confirm the covalent attachment of the SPEEK chains to the MWNTs. XRD and TEM were used to characterize the morphology of the functionalized tubes and composites. We then evaluated the composite membranes for their structure and elastic modulus. Our results show that SPEEK-grafted MWNT composites with 2% and 5 wt% SPEEK-MWNTs exhibited a 7.1% and 16.1% improvement in Young’s modulus, respectively, compared to SPEEK. However, oxidized MWNT/SPEEK membranes exhibited slightly better improvement. Full article

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7 pages, 1671 KB

Open AccessProceeding Paper

Prediction of the Magnetocaloric Effect of Ni₄₂Mn₄₆CoSn₁₁ Heusler Alloy with a Phenomenological Model

by Karima Dadda, Lahcene Ghouari, Abdennour Elmohri, Mohamed Yacine Debili and El-Kebir Hlil

Mater. Proc. 2025, 25(1), 4; https://doi.org/10.3390/materproc2025025004 - 12 Nov 2025

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Abstract

Intermetallic NiMn-based Heusler alloys (HAs) have garnered considerable attention due to their multifunctionality and applications in various fields, including sensors, actuation, refrigeration, and waste heat harvesters. Among the NiMn-based alloys, Ni-Mn-Sn alloys have gained considerable attention since their structural and magnetic transformations were [...] Read more.

Intermetallic NiMn-based Heusler alloys (HAs) have garnered considerable attention due to their multifunctionality and applications in various fields, including sensors, actuation, refrigeration, and waste heat harvesters. Among the NiMn-based alloys, Ni-Mn-Sn alloys have gained considerable attention since their structural and magnetic transformations were discovered. Many studies have been conducted with various compositions and shapes to investigate the physical properties of Ni-Mn-Sn alloys, which offer several advantages, including non-toxicity, low cost, and abundant constituents. The Co-doping effect on the physical properties of Ni-Mn-Sn alloys has been widely reported. This doping can rectify the ternary Ni-Mn-Sn Heusler compound’s brittleness by crystallizing a disordered face-centered cubic (fcc) γ-phase. In this study, a polycrystalline Ni₄₂Mn₄₆CoSn₁₁ Heusler alloy was prepared by high-frequency fusion (HF), using a Lin Therm 600 device, from pure Ni, Mn, Sn, and Co elements with appropriate proportions. X-ray diffraction, scanning electron microscopy, and magnetic magnetometry devices were used to study the structural, microstructural, and magnetic properties. The XRD results revealed the coexistence of a disordered 7 M martensite phase (~88%) and a disordered cubic solid solution γ-phase (~12%). The alloy underwent a second-order ferromagnetic-to-paramagnetic phase transition at a Curie temperature of 350 K. Landau and Hamad’s theoretical models were used to plot the magnetic entropy change. The magnetocaloric properties (the maximum entropy change value, ΔS_M, the full width at half maximum of the entropy change curve, δT_FWHM, the relative cooling power, RCP, and the heat capacity, ΔC_P,H) were calculated using isothermal magnetization curves with the phenomenological model of Hamad. Full article

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9 pages, 1029 KB

Open AccessProceeding Paper

Synthesis and Characterization of ZnSnO₃/PVP Electrospun Composite Nanofibers

by R. Indhumathi and A. Sathiya Priya

Mater. Proc. 2025, 25(1), 5; https://doi.org/10.3390/materproc2025025005 - 21 Nov 2025

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Abstract

Zinc stannate (ZnSnO₃), a lead-free perovskite oxide, possesses a wide band gap along with ferroelectric and piezoelectric characteristics, but its practical use is limited by nanoparticle agglomeration and poor mechanical stability. In this study, ZnSnO₃ nanoparticles were synthesized via a [...] Read more.

Zinc stannate (ZnSnO₃), a lead-free perovskite oxide, possesses a wide band gap along with ferroelectric and piezoelectric characteristics, but its practical use is limited by nanoparticle agglomeration and poor mechanical stability. In this study, ZnSnO₃ nanoparticles were synthesized via a chemical precipitation method and incorporated into electrospun polyvinylpyrrolidone (PVP) nanofibers to overcome these drawbacks. XRD confirmed the formation of orthorhombic perovskite ZnSnO₃, while FTIR verified successful embedding into the PVP matrix without chemical degradation. UV–Vis analysis revealed a slight blue shift in the absorption edge, with the optical band gap widening from 3.61 eV (ZnSnO₃) to 3.73 eV (ZnSnO₃/PVP), accompanied by enhanced visible light absorption. SEM images showed that agglomerated ZnSnO₃ nanoparticles were transformed into smooth, bead-free nanofibers with diameters ranging from 0.22 to 1.80 μm. The synergy between ZnSnO₃ crystallinity and PVP flexibility imparts structural integrity, tunable optical behavior, and mechanical robustness, making the hybrid nanofibers promising candidates for photocatalysis, flexible optoelectronics, and energy-harvesting applications. Full article

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10 pages, 3045 KB

Open AccessProceeding Paper

Structural, Optical, and Dielectric Behavior of MCr₂O₄ (M=Co, Cu, Ni) Spinel Chromites Prepared by Sol–Gel Route

by Pavithra Gurusamy, Anitha Gnanasekar, Geetha Deivasigamani and Jose Luis Arias Mediano

Mater. Proc. 2025, 25(1), 6; https://doi.org/10.3390/materproc2025025006 - 24 Nov 2025

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Abstract

The influence of M site substitution in MCr₂O₄ nanoceramics on their properties is examined in this research. This study is an attempt to correlate the structural, morphological, and optical properties of M-site-modified chromites. The MCr₂O₄ nanoceramics-CuCr₂ [...] Read more.

The influence of M site substitution in MCr₂O₄ nanoceramics on their properties is examined in this research. This study is an attempt to correlate the structural, morphological, and optical properties of M-site-modified chromites. The MCr₂O₄ nanoceramics-CuCr₂O₄, CoCr₂O₄, and NiCr₂O₄ were synthesized using a wet chemical sol–gel auto-combustion method, and all three samples were annealed for 4 h at 900 °C. X-ray diffraction analysis showed that the XRD patterns of CuCr₂O₄, CoCr₂O₄, and NiCr₂O₄ correspond to single-phase cubic crystal structures with the space group Fd-3m. Using the Scherrer equation, the crystallite sizes were found to be 9.86 nm, 6.73 nm, and 10.73 nm for CuCr₂O₄, CoCr₂O₄, and NiCr₂O₄, respectively. Other parameters, including crystal structure, micro-strain, lattice constant, unit cell volume, X-ray density, packing factor, and the stacking fault of the calcined powder samples, were determined from data acquired from the X-ray diffractometer. Energy dispersive X-ray spectroscopy (EDX) was employed to confirm the appropriate chromite elements in their expected stoichiometric proportions, removed from other impurities. The identification of the functional groups of the samples was performed using Fourier Transform Infrared Spectroscopy (FTIR). The absorption bands characteristic of tetrahedral and octahedral coordination compounds of the spinel structure are found between 450 and 750 cm⁻¹ for all three samples in the spectrum. From the UV-absorption spectra, and using Tauc’s plot, the energy bandgap values for CuCr₂O₄, CoCr₂O₄, and NiCr₂O₄ were measured to be 1.66 eV, 1.82 eV, and 2.01 eV, respectively. The dielectric properties of the chromites were studied using an LCR meter. Frequency-dependent dielectric properties, including Dielectric constant and Tangent loss, were calculated. These findings suggest the feasibility of the use of these synthesized chromites for optical devices and other optoelectronic applications. Full article

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8 pages, 611 KB

Open AccessProceeding Paper

Ultrasonic-Assisted Synthesis of Zinc Oxide Nanocomposites with Substituted Thiosemicarbazide Ligands: An Overview

by Ekhlakh Veg, Nashra Fatima and Tahmeena Khan

Mater. Proc. 2025, 25(1), 7; https://doi.org/10.3390/materproc2025025007 - 26 Nov 2025

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Abstract

Metal oxide nanocomposites have gained significant attention due to their unique physicochemical properties and applications in biomedicine, catalysis, sensing, and environmental remediation. Among them, zinc oxide (ZnO) nanoparticles (NPs) are widely studied, and functionalization with thiosemicarbazide (TSC) derivatives enhances their stability, reactivity, solubility, [...] Read more.

Metal oxide nanocomposites have gained significant attention due to their unique physicochemical properties and applications in biomedicine, catalysis, sensing, and environmental remediation. Among them, zinc oxide (ZnO) nanoparticles (NPs) are widely studied, and functionalization with thiosemicarbazide (TSC) derivatives enhances their stability, reactivity, solubility, and biocompatibility. Ultrasonic-assisted synthesis offers an eco-friendly approach, enabling rapid nucleation, uniform dispersion, and controlled particle size while promoting efficient ligand coordination. Nanocomposites are typically characterized using various spectroscopic techniques, which confirm successful functionalization. This review highlights synthesis strategies, characterization techniques, and applications of ligand-functionalized metal oxide nanocomposites in environmental, catalytic, and biological fields. Full article

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9 pages, 1697 KB

Open AccessProceeding Paper

Solubility-Driven Prediction of Electrospun Nanofibers’ Diameters via Generalized Linear Models

by Marco Antonio Pérez-Castillo, Rubén Caro-Briones, Mariangely López-González, Gabriela Martínez-Mejía, Mónica Corea and Lazaro Ruiz-Virgen

Mater. Proc. 2025, 25(1), 8; https://doi.org/10.3390/materproc2025025008 - 25 Nov 2025

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Abstract

Electrospinning is a versatile technique for producing polymer nanofibers whose morphology strongly influences their properties. This work developed predictive and inferential models for fiber diameter based on solution and process parameters. Polymer–solvent compatibility was described through cohesive energy-based solubility parameters such as Hansen [...] Read more.

Electrospinning is a versatile technique for producing polymer nanofibers whose morphology strongly influences their properties. This work developed predictive and inferential models for fiber diameter based on solution and process parameters. Polymer–solvent compatibility was described through cohesive energy-based solubility parameters such as Hansen and Flory–Huggins ( χ ). Twenty Generalized Linear Models (GLMs) were trained using both the raw response (Y) and its natural logarithm (ln Y) under Gaussian, Gamma, and Inverse Gaussian distributions with different link functions. Models using ln Y showed better goodness-of-fit, with the Gamma distribution and identity link performing best. The final model, optimized via AIC-forward selection, achieved RMSE = 0.5862, Corr² = 0.7803, and MAPE = 0.0775. The Flory–Huggins parameter and solution concentration were identified as the most influential predictors, providing a reliable framework for controlling nanofiber diameter in electrospinning processes. Full article

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8 pages, 2083 KB

Open AccessProceeding Paper

Coffee Waste-Based Nanostructures: A Cost-Effective Fluorescent Material for Ni²⁺ Detection in Water

by Sepideh Dadashi, Gabriele Giancane and Giuseppe Mele

Mater. Proc. 2025, 25(1), 9; https://doi.org/10.3390/materproc2025025009 - 1 Dec 2025

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Abstract

Nickel ions (Ni²⁺) are persistent heavy metal pollutants that pose significant risks to human health due to their toxicity. Conventional treatment technologies, while effective, are often costly, energy-intensive, and limited in removing emerging pollutants. In this study, we report an eco-friendly, [...] Read more.

Nickel ions (Ni²⁺) are persistent heavy metal pollutants that pose significant risks to human health due to their toxicity. Conventional treatment technologies, while effective, are often costly, energy-intensive, and limited in removing emerging pollutants. In this study, we report an eco-friendly, fluorescence-based sensing platform using carbon nanostructures (CNs) synthesized from coffee waste via pyrolysis at 600 °C. The CNs were characterized by Fourier transform infrared (FTIR) spectroscopy and evaluated for their fluorescence response toward Ni²⁺, Co²⁺, Cu²⁺, and Cd²⁺ ions. Distinct ion-specific behaviors were observed, with Ni²⁺ inducing the strongest fluorescence quenching. Sensitivity studies revealed reliable detection across 10⁻⁸–10⁻³ M, with a detection limit of 10⁻⁴ M (≈5.9 mg/L). Fluorescence stability was maintained for up to six hours, with one hour identified as the optimal detection window. Performance in real water samples highlighted consistent responses in mineral water, reflecting reliable sensing capability in a realistic aqueous matrix. While the current detection limit is above the World Health Organization guideline for drinking water, the CNs show promise for monitoring Ni²⁺ in contaminated or industrial effluents. Overall, this work demonstrates that coffee waste-derived CNs provide a cost-effective, sustainable approach to heavy metal sensing, linking waste valorization with environmental monitoring. Full article

15 pages, 2069 KB

Open AccessProceeding Paper

Micro-Electromagnetic Vibration Energy Harvesters: Analysis and Comparative Assessment

by Abdul Qadeer, Mariya Azam, Basit Abdul and Abdul Rab Asary

Mater. Proc. 2025, 25(1), 10; https://doi.org/10.3390/materproc2025025010 - 1 Dec 2025

Abstract

The development of Micro-electro-magnetic Vibration Energy Harvesters (MEMVEHs) plays a crucial role in advancing self-powered nanophotonic, nanoelectronic, and nanosensor systems. As energy autonomy becomes critical for miniaturized devices, MEMVEHs offer a sustainable power source for low-power nanodevices operating in wireless sensor networks, wearable [...] Read more.

The development of Micro-electro-magnetic Vibration Energy Harvesters (MEMVEHs) plays a crucial role in advancing self-powered nanophotonic, nanoelectronic, and nanosensor systems. As energy autonomy becomes critical for miniaturized devices, MEMVEHs offer a sustainable power source for low-power nanodevices operating in wireless sensor networks, wearable electronics, and biomedical implants. This study provides a comparative assessment of MEMVEH technologies and evaluates their integration potential within next-generation nanoscale systems, enabling enhanced performance, longevity, and energy efficiency of emerging nanotechnologies. Electromagnetic vibration energy harvesters (EMEHs) based on microelectromechanical system (MEMS) technology are promising solutions for powering small-scale, autonomous electronic devices. In this study, two electromagnetic vibration energy harvesters based on microelectromechanical (MEMS) technology are presented. Two models with distinct vibration structures were designed and fabricated. A permanent magnet is connected to a silicon vibration structure (resonator) and a tiny wire-wound coil as part of the energy harvester. The coil has a total volume of roughly 0.8 cm³. Two energy harvesters with various resonators are tested and compared. Model A’s maximum load voltage is 163 mV, whereas Model B’s is 208 mV. A maximum load power of 59.52 μW was produced by Model A at 347 Hz across a 405 Ω load. At 311.4 Hz, Model B produced a maximum load power of 149.13 μW while accelerating by 0.4 g. Model B features a larger working bandwidth and a higher output voltage than Model A. Model B performs better than Model A in comparable experimental settings. Simple study revealed that Model B’s electromagnetic energy harvesting produced superior outcomes. Additionally, it indicates that a nonlinear spring may be able to raise the output voltage and widen the frequency bandwidth. Full article

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