The fundamental principle of Fourier Transform Infrared (FTIR) spectroscopy is based on the vibration and rotation of atoms, and it has become a universal and widely used spectral methodology for the detection of internal molecular structures in a diverse range of fields. A considerable number of review articles pertaining to the applications of FTIR spectroscopy have been published in recent years. Nevertheless, a comprehensive summary of the application of FTIR spectroscopy in nanoparticles’ (NPs’) green synthesis has yet to be presented. In the present paper, we propose a series of case studies that demonstrate the application of FTIR spectroscopy in the analysis of metal and metal oxide NPs that have been synthesized using green synthesis processes. Furthermore, a summary is presented of the position of functional group bands in FTIR spectra that are responsible for the reduction, capping and stabilization of NPs. In this review, we explore the advantages and limitations of FTIR and propose methodologies for overcoming these challenges. We also present potential solutions for the analysis of complex FTIR spectra. The present summary is intended to serve as a compendium of information for researchers engaged in the field of green synthesis of NPs, utilizing FTIR spectroscopy as a research tool.

This paper presents reports on the glycerol steam reforming reaction. The studies were performed over four nickel catalysts with different metal loading (up to 10 wt%) supported on calcium deficient hydroxyapatite (DHAp). The support was synthetized by the microwave assisted hydrothermal method. The steam reforming reaction was performed under atmospheric pressure in the 650–800 °C temperature range using 10 mg of catalyst sample and a glycerol/water mixture with S/C = 3. All catalysts were well characterized by physicochemical methods (XRD, XRF, TPR, HRTEM). The catalytic tests results were presented by means of glycerol conversion, hydrogen and carbon containing gases selectivity. The most promising results were obtained for catalyst with moderate Ni content (~7.5 wt%), which proved to be stable during a few hours on-stream and provided glycerol conversion at least 94% at reaction temperature above 750 °C.

This study investigates the oxidative degradation of polystyrene (PS) through a synergistic framework integrating UV-C-accelerated aging with Reactive Molecular Dynamics (ReaxFF) simulations. To bridge the gap between experimental and computational timescales, shock compression was employed in the simulations as an accelerator of degradation reactions. ATR-FTIR spectroscopy revealed the emergence of carbonyl (1717 cm⁻¹) and peroxyester (1760 cm⁻¹) bands, alongside dominant ether-type oxygen bridges (1260, 1209 cm⁻¹). These experimental data, particularly the depletion of native aromatic bands (1492, 1451 cm⁻¹), provide direct empirical validation of the ring-ring cross-linking and radical-mediated oxidation pathways predicted by the ReaxFF model. The results demonstrate that theory-guided diagnostics offer a robust mechanism for understanding the atomic-level restructuring of the polymer matrix. Significantly, the formation of hydrophilic oxygenated groups increases the bioavailability and environmental hazard potential of fragmented PS microplastics, providing critical insights into their long-term ecological fate.

Degradation of polyethylene and polystyrene was studied theoretically using reactive molecular dynamics based on the ReaxFF force field. The degradation reactions were carried out on nanoparticles (approximately 2 nm in diameter) composed of ideal low-density polyethylene and polystyrene in the presence of water. The reactions leading to degradation were triggered by applying a shock wave through the simulation box. This approach allowed the energy to be transferred to the sample in a controllable manner and initiated the reactions. The state of the nanoparticles after the shock wave passage was investigated in detail, focusing on the type and quantities of new surface functional groups and new chemical connections in the bulk samples. It was found that polyethylene predominantly reveals surface hydroxyl groups (some of which can be protonated) and has the ability to release linear polyhydroxy alcohols. Other surface functional groups with significant presence are ether groups. The degradation of polystyrene proceeds through the addition of hydroxyl groups primarily to the benzene rings, causing their dearomatization. The number of hydroxyl groups in a single ring increases with the degree of degradation, and some hydroxyl groups are also protonated. Polystyrene is also susceptible to crosslink formation, mainly between aromatic rings, leading to branched and dearomatized forms that are chemically distinct from styrene.