FTIR Spectroscopy Research Articles

An insight into structural, spectroscopic and nonlinear optical Application of a promising malononitrile derivative: (Z)-2-(3-chloro-3-(4-chlorophenyl)allylidene)malononitrile

Conjugated organic single crystals play a pivotal role as donor-acceptor molecules, showcasing nonlinear optical properties due to their unique molecular structure. In the present study, a novel functionalised allylidene malononitrile derivative, (Z)-2-(3-chloro-3-(4-chlorophenyl)allylidene)malononitrile, was synthesised and subjected to various spectroscopic and structural analyses for its optical and structural characterisation. This compound serves as an essential building block in developing photonic and optoelectronic materials. We synthesised the compound through a Vilsmeier-Haack reaction followed by a Knoevenagel condensation reaction and crystallised it using a slow evaporation method. In addition to SCXRD, the structural analysis of the compound was performed using NMR (1H, 13C), mass spectroscopy and FT-IR spectroscopy. The Intermolecular interactions were studied using Hirshfeld surfaces. The optical properties were analysed using UV–visible and photoluminescence spectroscopy. The third-order nonlinearity of the grown crystal was estimated using the NLO coefficients via the widely recognised femtosecond Z-scan technique, equipped with Ti:sapphire-based laser oscillator using laser pulses of 90 fs and a wavelength of 500 nm at various incident powers. It was observed that with increasing laser power, the nonlinear absorption coefficient of the sample also increased. These findings, combined with the calculation of the nonlinear refractive index, conclusively establish the potential of (Z)-2-(3-chloro-3-(4-chlorophenyl)allylidene)malononitrile for optoelectronic applications.

Facile fabrication of sulfonated porous yeast carbon microspheres through a hydrothermal method and their application for the removal of cationic dye

Water pollution containing dyes become increasingly serious environmental problem with the acceleration of urbanization and industrialization process. Renewable adsorbents for cationic dye wastewater treatment are becoming an obstacle because of the difficulty of desorbing the dye from the adsorbent surface after adsorption. To overcome this dilemma, herein, we report a hydrothermal method to fabricate sulfonic acid modified yeast carbon microspheres (SA/YCM). Different characterization techniques like scanning electron microscopy, FTIR spectroscopy, and X-ray diffraction have been used to test the SA/YCM. Decorated with sulfonic acid group, the modified yeast carbon microspheres possess excellent ability of adsorbing positively charged materials. The removal rate of Methyl blue (MB) by renewable adsorbent SA/YCM can reach 85.3% when the concentration is 500 mg/L. The SA/YCM regenerated by HCl showed excellent regeneration adsorption capacity (78.1%) after five cycles of adsorption–desorption regeneration experiment. Adsorption isotherm and kinetic behaviors of SA/YCM for methylene blue dyes removal were studied and fitted to different existing models. Owing to the numerous sulfonic acid groups on the surface, the SA/YCM showed prominent reusability after regeneration under acidic conditions, which could withstand repeated adsorption–desorption cycles as well as multiple practical applications.

A comprehensive study of experimental and theoretical characterization and in silico toxicity analysis of new molecules

In this study, for the first time in the literature, a 2-(3-methoxyphenylamino)-2-oxoethyl acrylate (3MPAEA) molecule was synthesized in two steps, and a 2-chloro-N-(3-methoxyphenyl)acetamide (m-acetamide) was obtained in the first step. Experimental results were obtained using FTIR, 1H, and 13C NMR spectroscopy methods for m-acetamide and 3MPAEA compounds created in the laboratory environment and compared with theoretical results. Band gap (BG) energy, chemical hardness, electronegativity, chemical potential, and electrophilicity index were calculated. With vibration spectroscopic analysis, atom–molecule vibrations of the theoretical and experimental peaks of the spectrum were observed. The locations of C and H atoms were determined by nuclear magnetic resonance spectroscopy. The green, blue, and red regions of the potential energy map (MEP) map were examined. Some observed that the energy thermal, heat capacity, and entropy graphs increased in direct proportion to increasing the temperature in Kelvin, which is known as thermochemistry. The changes in the rotation, translation, and vibration of the molecule as its temperature increased were examined. When the thermochemistry surface map was examined, some observed that the temperature was high in the middle binding site of the molecules. Covalent interactions were graphed using the non-covalent interactions (NCIs) calculation method. In silico toxicity studies were carried out for m-acetamide and 3MPAEA molecules: fathead minnow LC50 (96 h), Daphnia magna LC50 (48 h), Tetrahymena pyriformis IGC50 (48 h), oral rat LD50, water solubility, bioconcentration factor, developmental toxicity, mutation, normal boiling point, flash point, melting point, density, thermal conductivity, viscosity, vapor pressure, etc. parameters were investigated.

Understanding the transition to viable but non-culturable state in Escherichia coli W3110: a comprehensive analysis of potential spectrochemical biomarkers.

The viable but non-culturable (VBNC) state is considered a survival strategy employed by bacteria to endure stressful conditions, allowing them to stay alive. Bacteria in this state remain unnoticed in live cell counts as they cannot proliferate in standard culture media. VBNC cells pose a significant health risk because they retain their virulence and can revive when conditions normalize. Hence, it is crucial to develop fast, reliable, and cost-effective methods to detect bacteria in the VBNC state, particularly in the context of public health, food safety, and microbial control assessments. This research examined the biomolecular changes in Escherichia coli W3110 induced into the VBNC state in artificial seawater under three different stress conditions (temperature, metal, and antibiotic). Initially, confirmation of VBNC cells under various stresses was done using fluorescence microscopy and plate counts. Subsequently, lipid peroxidation was assessed through the TBARS assay, revealing a notable increase in peroxidation end-products in VBNC cells compared to controls. ATR-FTIR spectroscopy and chemomometrics were employed to analyze biomolecular changes, uncovering significant spectral differences in RNA, protein, and nucleic acid concentrations in VBNC cells compared to controls. Notably, RNA levels increased, while protein and nucleic acid amounts decreased. ROC analyses identified the 995cm- 1 RNA band as a consistent marker across all studied stress conditions, suggesting its potential as a robust biomarker for detecting cells induced into the VBNC state under various stressors.

In Vitro Antioxidant and In Silico Evaluation of the Anti-β-Lactamase Potential of the Extracts of Cylindrospermum alatosporum NR125682 and Loriellopsis cavenicola NR117881

Cyanobacteria in recent times have been touted to be a suitable source for the discovery of novel compounds, including antioxidants and antibiotics, due to their large arsenal of metabolites. This study presents the in vitro antioxidant and in silico evaluation of Cylindrospermum alatosporum NR125682 and Loriellopsis cavenicola NR117881, isolated from freshwater ponds around the campus of the University of Zululand, South Africa. The isolates were confirmed using 16S rRNA. Various crude extracts of the isolated microbes were prepared through sequential extraction using hexane, dichloromethane, and 70% ethanol. The chemical constituents of the crude extracts were elucidated by FTIR and GC-MS spectroscopy. The antioxidant potential of the extracts was determined by the free radical (DPPH, ABTS, •OH, and Fe2+) systems. Molecular docking of the major constituents of the extracts against β-lactamase was also evaluated. GC-MS analysis indicated the dominating presence of n-alkanes. The extracts exhibited varying degrees of antioxidant activity (scavenging of free radicals; an IC50 range of 8–10 µg/mL was obtained for ABTS). A good binding affinity (−6.6, −6.3 Kcal/mol) of some the organic chemicals (diglycerol tetranitrate, and 2,2-dimethyl-5-(3-methyl-2-oxiranyl)cyclohexanone) was obtained following molecular docking. The evaluated antioxidant activities, coupled with the obtained docking score, potentiates the antimicrobial activity of the extracts.

Investigation on the enhanced ion impermeability of bipolar corrosion resistant coating prepared with Mg/Al-HT

Hydrotalcite (HT), which contains a large amount of easily exchanged hydroxyl groups, and has attracted great attention in the field of corrosion protection. Taking this aspect into consideration, this study has prepared bipolar corrosion resistant coating with modified magnesium-aluminum synthetic hydrotalcite (Mg/Al-HT), which restrains both the anion and cation migration in the coating. It is achieved by applying sodium dodecylbenzene sulfonate (SDBS) and cetyltrimethylammonium bromide (CTAB) to modify Mg/Al-HT and blending with phenolic epoxy resin. The chemical composition and morphology of the modified Mg/Al-HT are analyzed using SEM, FT-IR, and Raman spectroscopy. The ion selectivity of the prepared coating is evaluated with membrane potential test. Observation of the macroscopic pictures revealed that no corrosion products were observed on the surface of the bipolar coating after 60 days of immersion in 3.5 wt% NaCl solution. The corresponding interfacial impedance behavior is investigated. The typical impedance modulus @0.01 Hz remains constant at about 109 Ω cm2 after 60 days of exposure in 3.5 wt% NaCl solution, which is 102-103 times higher than that of the conventional coating. The mechanism of the enhanced ion impermeability is discussed in the paper.

Structural, Optical, and Thermal Properties of PVA/SrTiO3/CNT Polymer Nanocomposites.

Successful preparation of PVA/SrTiO3/CNT polymer nanocomposite films was accomplished via the solution casting method. The structural, optical, and thermal properties of the films were tested by XRD, SEM, FTIR, TGA, and UV-visible spectroscopy. Inclusion of the SrTiO3/CNT nanofillers with a maximum of 1 wt% drastically improved the optical and thermal properties of PVA films. SrTiO3 has a cubic crystal structure, and its average crystal size was found to be 28.75 nm. SEM images showed uniform distribution in the sample with 0.3 wt% of SrTiO3/CNTs in the PVA film, while some agglomerations appeared in the samples of higher SrTiO3/CNT content, i.e., at 0.7 and 1.0 wt%, in the PVA polymer films. The inclusion of SrTiO3/CNTs improved the thermal stability of PVA polymer films. The direct and indirect optical band gaps of the PVA films decreased when increasing the mass of the SrTiO3/CNTs, while the single-oscillator energy (E0) and dispersion energy (Ed) increased. The films' refractive indices were gradually increased upon increasing the nanofillers' weight. In addition, improvements in the optical susceptibility and nonlinear refractive indices' values were also obtained. These films are qualified for optoelectronic applications due to their distinct optical and thermal properties.

A bio-ionic liquid based self-healable and adhesive ionic hydrogel for the on-demand transdermal delivery of a chemotherapeutic drug.

The non-invasive nature and potential for sustained release make transdermal drug administration an appealing treatment option for cancer therapy. However, the strong barrier of the stratum corneum (SC) poses a challenge for the penetration of hydrophilic chemotherapy drugs such as 5-fluorouracil (5-FU). Due to its biocompatibility and capacity to increase drug solubility and permeability, especially when paired with chemical enhancers, such as oleic acid (OA), which is used in this work, choline glycinate ([Cho][Gly]) has emerged as a potential substance for transdermal drug delivery. In this work, we examined the possibility of transdermal delivery of 5-FU for the treatment of breast cancer using an ionic hydrogel formulation consisting of [Cho][Gly] with OA. Small angle neutron scattering, rheological analysis, field emission scanning electron microscopy, and dynamic light scattering analysis were used to characterize the ionic hydrogel. The non-covalent interactions present between [Cho][Gly] and OA were investigated by computational simulations and FTIR spectroscopy methods. When subjected to in vitro drug permeation using goat skin in a Franz diffusion cell, the hydrogel demonstrated sustained release of 5-FU and effective permeability in the order: [Cho][Gly]-OA gel > [Cho][Gly] > PBS (control). The hydrogel also demonstrated 92% cell viability after 48 hours for the human keratinocyte cell line (HaCaT cells) as well as the normal human cell line L-132. The breast cancer cell line MCF-7 and the cervical cancer cell line HeLa were used to study in vitro cytotoxicity that was considerably affected by the 5-FU-loaded hydrogel. These results indicate the potential of the hydrogel as a transdermal drug delivery vehicle for the treatment of breast cancer.

Polyvinylalcohol Composite Filled with Carbon Dots Produced by Laser Ablation in Liquids.

Carbon dots (CDs), owing to their excellent photoluminescent features, have been extensively studied for physics preparation methods and for biomedical and optoelectronic device applications. The assessment of the applicability of CDs in the production of luminescent polymeric composites used in LEDs, displays, sensors, and wearable devices is being pursued. The present study reports on an original, environmentally friendly, and low-cost route for the production of carbon dots with an average size of 4 nm by laser ablation in liquid. Jointly, to prove the significance of the study for a wide range of applications, a free-standing flexible polyvinyl alcohol (PVA) composite containing photoluminescent carbon dots was manufactured. CDs were prepared using targets of porose charcoal with a density of 0.271 g/cm3 placed in phosphate-buffered saline (PBS) liquid solution and irradiated for 30 min by pulsed IR diode laser. The optical properties of the obtained suspension containing carbon dots were studied with UV-ViS and FTIR spectroscopies. The photoluminescence of the produced carbon dots was confirmed by the emission peak at 480 nm in the luminescence spectrum. A narrow luminescence band with a full width at half-maximum (FWHM) of less than 40 nm could be an asset in spectral emission analysis in different applications. Atomic force microscopy confirms the feasibility of manufacturing CDs in clean and biocompatible environments, paving the way for an easier and faster production route, crucial for their wider applicability.

The application of FTIR spectra coupled with chemometrics for analysis of lard in food products for halal authentication: a mini review

Lard (LD) obtained from fat’s extraction of adipose tissue of swine is a good component to be used in food and pharmaceutical products to provide specific functions. Lard, according to the Food and Drug Administration, is generally considered recognized as safe (GRAS) to be used in the products. However, LD is not allowed to be consumed or used in the products due to certain religious restrictions in which Muslims and Jews are not allowed to consume any products containing LD because LD is categorized as nonhalal (Muslims) and non-kosher (Jews). Thus, the analysis of LD in food and pharmaceutical products is very urgent to ensure the product’s halalness (and Kosherness) for Muslims and Jews. Some methods have been reported for the analysis of LD, including FTIR spectra, due to their property as fingerprinting analytical techniques capable of fast and reliable tools for screening LD. The responses obtained from the measurement of LD using FTIR spectroscopy are very large, involving big data analysis. Therefore, the chemometrics application to treat these chemical data is unavoidable. This present review highlighted the use of FTIR spectra and chromatographic-based techniques coupled with chemometrics for the analysis of lard in food and pharmaceutical products for halal authentication. The main findings of this review can assist regulators and analytical chemists in selecting the best method for analysis of LD in the products intended for Halal authentication analysis.

Anthocyanins of Delonix Regia Floral Petals: A Novel Approach on Fluorescence Enhancement, Forster Resonance Energy Transfer Mechanism and Photostability Studies for Optoelectronic Applications.

In this work, we focused on extracting the anthocyanin dye in acetone, butanol, ethanol, and water solvents from Delonix regia flowers by a simple maceration extraction process. The identification of functional group analysis, vibrational studies, energy transfer mechanisms, optoelectronic properties, photostability studies, FRET-assisted potential light emissions and photometric properties of the anthocyanin dyes are successively investigated. FTIR spectroscopy and vibrational studies have confirmed the existence of polyphenolic groups in 2-phenyl chromenylium (anthocyanin) dyes. The optoelectronic results show the least direct bandgap (2.04eV), indirect bandgap (1.55eV), Urbach energy (0.380eV), high refractive index (1.20), dielectric constant (2.794), and high optical conductivity (1.954 × 103 S/m) for the anthocyanin dye extracted found in water solvent. The photoluminescence properties such as Stoke's shift, high quantum yield, and lifetime results show that anthocyanin dyes are promising candidates for red-LEDs and optical materials. The absorption and emission spectra of the anthocyanin dyes follow the mirror image rule and the Franck-Condon factor exists between vibrational energy levels corresponding to all the electronic transitions. The excellent correspondence between the absorption and emission spectra reinforces that the anthocyanins are efficient (46%) FRET probes. Further, photometric properties such as CIE, CRI, CCT and colour purity results of anthocyanins in all studied solvents revealed that this material exhibits orange to red shades (x = 0.48 → 0.54 and y = 0.36 →0.45) and is well suitable for have great potential in the manufacturing of Organic-LEDs and other optoelectronic device applications.

Pleurotus extract-mediated selenium and zinc nanoparticles exhibited improved yield of biofortified fruit bodies.

The current study was aimed for the generation of Pleurotus extracellular extract-mediated selenium and zinc-oxide nanoparticles (NPs). The Pleurotus djamor (PD) and Pleurotus sajor-caju (PSC) extracts were incubated with different concentrations of sodium selenate and zinc acetate to yield BioSeNPs and BioZnONPs. The NPs formation led to visual color change (brick-red and white for Se and Zn nanosols, respectively). The synthesized NPs were spherical with size of 124 and 68nm and 84 and 91nm for PD and PSC BioSeNPs and BioZnONPs respectively. The UV absorbance peaks were recorded at 293.2 and 292.2nm and 365.9 and 325.5nm for BioSeNPs and BioZnONPs derived from PD and PSC respectively. FT-IR spectroscopy indicated specific functional group adoration on metal-based NPs. On supplementation in straw, these NPs improved the fruit body yield besides enhancing their protein and Se/ Zn contents. These biofortified mushrooms could be potential dietary supplement/ nutraceutical.

Characterization and antibacterial studies of Sn doped CuO nanocomposite using centratherum punctatum leaf extract

In order to synthesize CuO, SnO2, and Sn doped CuO nanocomposites, accessible and non-toxic materials, specifically leaf extract from Centratherum punctatum, were used in this work to apply the concepts and practices of green chemistry. These methods are both economical and environmentally friendly. A comprehensive range of characterisation techniques, including as FTIR, X-ray diffraction, and UV-vis spectroscopy, were also used to confirm the structures of all the produced nanomaterials. Instead, FESEM and EDAX were used to analyze the morphologies and elemental composition of recently produced nanomaterials. A decline in the optical band gap values was indicated by the red shift observed in the UV-vis study following tin doping. A sample's presence of different functional groups is confirmed by FT-IR analysis. For CuO NPs, SnO2, and Sn doped CuO NCs, the XRD results yielded crystallite sizes of 6 nm, 21 nm, and 29 nm, respectively, for the produced particles. The ferromagnetic, diamagnetic, and super paramagnetic characteristics of the produced samples at room temperature were validated by vibrating sample magnetometer experiments. Cyclic voltammetry is used to examine the nanoparticles' electrochemical analysis. Using Sn doped CuO nanocomposite material, it shows a high specific capacitance value of about ~187 Fg-1 at a current density of 10 mV/s. It was found from the electrochemical studies that the produced nanomaterials are suitable for capacitive behaviour. After all, the presence of inhibition zones surrounding each well led us to the conclusion that the nanoparticles exhibited antibacterial activity against the pathogenic strains of Staphylococcus aureus and Escherichia coli.

Layer-by-layer Fabrication of Gold Nanoparticles/Polyaniline Modified Gold Electrodes for Direct Non-enzymatic Oxidation of Glucose

Background: Non-enzymatic direct glucose biofuel cell is a promising technology to harness sustainable renewable energy. Furthermore, monitoring glucose levels is essential for human lives with age. Thus, there is an increasing need to develop highly efficient and stable modified electrodes. Methods: This study reported the manufacture of gold nanoparticles/polyaniline/modified gold electrodes (Au NPs/PANI/Au electrode) based on the electrochemical polymerization method followed by the deposition of gold nanoparticles. The shapes and chemical constitution of the electrodes were examined by using different techniques including SEM, FTIR, XRD, EDS, and Raman spectroscopy techniques. The electrocatalytic efficiency of the present electrodes toward direct glucose oxidation was evaluated by applying cyclic voltammetry, linear sweep voltammetry, and square wave voltammetry techniques. objective: fabrication of stable modified electrodes uses of the modified electrodes for renewable energy Results: The results exhibited high electrocatalytic performance for direct glucose electrooxidation in alkaline media. The modified electrodes show the ability to electrooxidation of various glucose concentrations (1 μM ̶ 100 μM) with a limit of detection and limit of quantitation of 140 nM and 424 nM, respectively. Furthermore, the Au NPs/PANI/Au electrode showed higher durability, sensitivity, and selectivity toward glucose oxidation than the Au NPs/ Au electrode, which confirmed the role of the PANI layer in enhancing the stability of the modified electrode. Conclusion: Moreover, the molar fraction of glucose to KOH has a crucial role in the output current. Hence, the modified electrodes are great candidates for direct glucose biofuel cell application. result: The electrocatalytic efficiency of the present electrodes toward direct glucose oxidation was evaluated by applying the cyclic voltammetry technique. The results exhibited high electrocatalytic performance for direct glucose electrooxidation in alkaline media. The modified electrodes show the ability to electrooxidation of various glucose concentrations (0.125M-2M). Furthermore, the Au NPs/PANI/Au electrode showed higher durability toward glucose oxidation than the Au NPs/ Au electrode, which confirmed the role of the PANI layer in enhancing the stability of the modified electrode. Moreover, the molar fraction of glucose to KOH has a crucial role in the output current.

Apatite-related Na+, Cu2+, Zn2+, CO3 2− containing calcium phosphates nanoparticles: synthesis, characterization and antibacterial properties for medical application

The aim of this study was to prepare and characterize the calcium phosphates modified by different amount of Na+, Cu2+, Zn2+ and CO3 2−, and to investigate their activity in model solution (at pH = 7.45 and 37 °C) and antibacterial properties against Streptococcus pyogenes. According to XRD and FTIR spectroscopy data the apatite-related phases with partial substitution РО4 3− → СО3 2− (B-type) have been prepared. Presence of sodium and carbonate ions led to increase of solubility in model solution during the first 48 h, while modification with both Cu2+ and Zn2+ cations (up to 0.6 wt%) significantly improved antimicrobial properties against Streptococcus pyogenes.

Bio-based composite active film/coating from deccan hemp seed protein, taro starch and leaf extract: Characterizations and application in grapes

This study aimed to create a novel, cost-effective, and environmentally friendly food packaging film or coating using agricultural waste materials such as deccan hemp seeds and leaves. The process involved blending deccan hemp seed protein and leaf extract at an optimal ratio through a casting technique. Additionally, starch isolated from taro root was added into the protein-based film to enhance its structural, barrier, and mechanical properties. The introduction of bioactive compounds, like deccan hemp leaf extract, led increase in antioxidant activity and enriching the film with beneficial phenolic compounds.The combination of leaf extract and starch with the protein film resulted in a homogeneous, dense, and smooth film matrix, as evidenced by scanning microscopy images. FTIR spectroscopy confirmed interlinkage among the various constituents in the film. Rheological analysis of the film-forming solution showed its shear-thinning behavior, with the storage modulus exceeding the loss modulus in the angular frequency range of 0.1 rad/s to 100 rad/s, indicating the film's elastic nature. Furthermore, the physical and optical attributes of the films were enhanced through the addition of starch and leaf extract.In a practical application, the film-forming solution was applied to grapes, leading to improved quality and extended shelf life for grapes stored under ambient conditions for ten days. Overall, this study's findings suggest that the use of deccan hemp seed protein-based packaging film holds promise as an emerging solution for enhancing the shelf life of vegetables and fruits, offering a sustainable and effective alternative for food packaging.

Enzyme variants in biosynthesis and biological assessment of different molecular weight hyaluronan

In the present study, low- and high-molecular-weight hyaluronic acids (LMW-HA and HMW-HA) were synthesized in vitro by truncated Streptococcus equisimilis hyaluronan synthases (SeHAS). The enzyme kinetic parameters were determined for each enzyme variant. The MW, structure, dispersity, and biological activity of polymers were determined by electrophoresis, FTIR spectroscopy, carbazole, cell proliferation, and cell migration assay, respectively. The specific activities were calculated as 7.5, 6.8, 4.9, and 2.8 µgHA µgenzyme−1 min−1 for SeHAS, HAS123, HAS23, and HASIntra, respectively. The results revealed SeHAS produced a polydisperse HMW-HA (268 kDa), while HAS123 and HAS23 produced a polydisperse LMW-HA (< 30 kDa). Interestingly, HASIntra produced a low-disperse LMW-HA. Kinetics studies revealed the truncated variants displayed increased Km values for two substrates when compared to the wild-type enzyme. Biological assessments indicated all LMW-HAs showed a dose-dependent proliferation activity on endothelial cells (ECs), whereas HMW-HAs exhibited an inhibitory effect. Also, LMW-HAs had the highest cell migration effect at 10 µg/mL, while at 200 µg/mL, both LMW- and HMW-HAs postponed the healing recovery rate. The study elucidated that the transmembrane domains (TMDs) of SeHAS affect the enzyme kinetics, HA-titer, HA-size, and HA-dispersity. These findings open new insight into the rational engineering of SeHAS to produce size-defined HA.Graphical abstract

Gamma Radiation-Mediated Synthesis of Antimicrobial Polyurethane Foam/Silver Nanoparticles.

Nosocomial infections represent a major threat within healthcare systems worldwide, underscoring the critical need for materials with antimicrobial properties. This study presents the development of polyurethane foam embedded with silver nanoparticles (PUF/AgNPs) using a rapid, eco-friendly, in situ radiochemical synthesis method. The nanocomposites were characterized by UV-vis and FTIR spectroscopy, scanning electron microscopy coupled with energy dispersive X-ray technique (SEM/EDX), differential scanning calorimetry (DSC), dynamic mechanical analysis (DMA), tensile and compression strengths, antimicrobial activity, and foam toxicity tests. The resulting PUF/AgNPs demonstrated prolonged stability (over 12 months) and good dispersion of AgNPs. Also, the samples presented higher levels of hardness compared to samples without AgNPs (deformation of 1682 µm for V1 vs. 4307 µm for V0, under a 5 N force), tensile and compression strength of 1.80 MPa and 0.34 Mpa, respectively. Importantly, they exhibited potent antimicrobial activity against a broad range of bacteria (including Pseudomonas aeruginosa, Staphylococcus aureus, Escherichia coli, and Enterococcus faecalis) and a fungal mixture (no fungal growth on the sample surface was observed after 28 days of exposure). Furthermore, these materials were non-toxic to human keratinocytes, which kept their specific morphology after 24 h of incubation, highlighting their potential for safe use in biomedical applications. We envision promising applications for PUF/AgNPs in hospital bed mattresses and antimicrobial mats, offering a practical strategy to reduce nosocomial infections and enhance patient safety within healthcare facilities.

Cadmium oxide nanoparticles from new organometallic Cd(II)-Schiff base complex and in vitro biological potentials: dual S. aureus and E. coli DNA gyrase inhibition by the precursors via in silico binding modes’ study

AbstractAt the nanoscale level, several biological processes take place, owing to the potential that engineered nanomaterials might interrelate with bio-molecules and cellular procedures. This study aimed to synthesize cadmium oxide nanoparticles via a one-step calcination process of tetradentate Schiff base-Cd(II) complex at different temperature ranges. The as-synthesized compounds were carried out via a viz UV–visible, elemental analysis, 1H NMR, molar conductivity, transmission electron microscopy (TEM), FT-IR spectroscopy, and X-ray diffraction (PXRD). The band gap energy and average particle sizes of the CdO particles are respectively (2.69 eV, 3.54 eV), 26.88 nm for CdO@250, and (3.20 eV, 3.57 eV), 25.67 nm for CdO@300, while CdO@350 exhibited the 3.78 eV and 28.42 nm values. The antioxidant accomplishments of the test samples through the scavenging activity of DPPH radicals showed CdO@300 to possess (IC50 = 5.18 ± 0.56 µg/mL). Similarly, the as-synthesized CdO nanoparticles exhibited higher antibacterial activities against S. aureus and E. coli as compared to the corresponding Cd-HMB and ligand (HMB), while ciprofloxacin acted as a standard antibiotic. Furthermore, HMB and its complex Cd-HMB were docked against the DNA gyrase enzymes of S. aureus (PDB IDs: 5CDQ) and E. coli (PDB IDs: 6F86) as receptors. The binding sites docking results showed that the binding energies of HMB and Cd-HMB to 5CDQ ranged from − 3.44 to − 4.99 kcal/mol and from − 6.45 to − 6.64 kcal/mol, while the binding energies related to the target 6F86 are in the ranges of (− 3.64, − 4.76) kcal/mol and (− 6.08, − 6.09) kcal/mol respectively. Therefore, the significant antioxidant and antibacterial activities of the ligand (HMB), Cd-HMB, and CdO NPs review the broad application prospects of these compounds as therapeutic agents for wide-ranging biomedical applications.

Structural study of strontium-containing iron-phosphate glasses for radioactive waste vitrification

Iron-phosphate glasses are a wide group of materials with a wide range of applications. Among others, they are promising materials in toxic waste vitrification because of their high chemical durability and relatively low processing temperature and time. They are a novel group of glasses that are considered in the vitrification of radioactive waste, especially those that cannot be treated using conventional borosilicate ones. Since strontium isotopes are one of the main fission products present in the waste, the influence of Sr on the structural properties of the glasses is an important factor.Strontium-containing iron-phosphate glasses were subjected to structural studies using FT-IR and Raman spectroscopies. The obtained spectra were described, and appropriate band assignments were done. Based on the research conducted, the structural features of the phosphate network and their changes were determined.The results obtained showed that strontium in relatively low content up to 20 mol% acts as the glass network charge compensator and can stabilize the network. Above this threshold, SrO can be treated as a pure modifier, leading to gradual depolymerization. Thus, this point may be treated as the maximum waste loading for effective strontium immobilization.