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Search Results (770)

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Keywords = attenuated total reflection fourier-transformed infrared spectroscopy (ATR-FTIR)

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16 pages, 1808 KiB  
Article
Chemometric Classification of Feta Cheese Authenticity via ATR-FTIR Spectroscopy
by Lamprini Dimitriou, Michalis Koureas, Christos S. Pappas, Athanasios Manouras, Dimitrios Kantas and Eleni Malissiova
Appl. Sci. 2025, 15(15), 8272; https://doi.org/10.3390/app15158272 - 25 Jul 2025
Viewed by 258
Abstract
The authenticity of Protected Designation of Origin (PDO) Feta cheese is critical for consumer confidence and market integrity, particularly in light of widespread concerns over economically motivated adulteration. This study evaluated the potential of Attenuated Total Reflectance–Fourier Transform Infrared (ATR-FTIR) spectroscopy combined with [...] Read more.
The authenticity of Protected Designation of Origin (PDO) Feta cheese is critical for consumer confidence and market integrity, particularly in light of widespread concerns over economically motivated adulteration. This study evaluated the potential of Attenuated Total Reflectance–Fourier Transform Infrared (ATR-FTIR) spectroscopy combined with chemometric modeling to differentiate authentic Feta from non-Feta white brined cheeses. A total of 90 cheese samples, consisting of verified Feta and cow milk cheeses, were analyzed in both freeze-dried and fresh forms. Spectral data from raw, first derivative, and second derivative spectra were analyzed using principal component analysis–linear discriminant analysis (PCA-LDA) and Partial Least Squares Discriminant Analysis (PLS-DA) to distinguish authentic Feta from non-Feta cheese samples. Derivative processing significantly improved classification accuracy. All classification models performed relatively well, but the PLS-DA model applied to second derivative spectra of freeze-dried samples achieved the best results, with 95.8% accuracy, 100% sensitivity, and 90.9% specificity. The most consistently highlighted discriminatory regions across models included ~2920 cm−1 (C–H stretching in lipids), ~1650 cm−1 (Amide I band, corresponding to C=O stretching in proteins), and the 1300–900 cm−1 range, which is associated with carbohydrate-related bands. These findings support ATR-FTIR spectroscopy as a rapid, non-destructive tool for routine Feta authentication. The approach offers promise for enhancing traceability and quality assurance in high-value dairy products. Full article
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31 pages, 3043 KiB  
Article
Physiological and Phytochemical Responses of Calendula officinalis L. to End-of-Day Red/Far-Red and Green Light
by Luisa F. Lozano-Castellanos, Giuseppina Pennisi, Luis Manuel Navas-Gracia, Francesco Orsini, Eva Sánchez-Hernández, Pablo Martín-Ramos and Adriana Correa-Guimaraes
Biology 2025, 14(8), 935; https://doi.org/10.3390/biology14080935 - 24 Jul 2025
Viewed by 308
Abstract
Calendula officinalis L. is a widely used medicinal plant whose secondary metabolism and morphology are influenced by light. This study evaluated the effects of 2 and 4 h end-of-day (EOD) red/far-red (R:FR) and green (G) light on the growth, physiology, and phytochemical profile [...] Read more.
Calendula officinalis L. is a widely used medicinal plant whose secondary metabolism and morphology are influenced by light. This study evaluated the effects of 2 and 4 h end-of-day (EOD) red/far-red (R:FR) and green (G) light on the growth, physiology, and phytochemical profile of hydroponically grown C. officinalis under a constant red/blue light background, compared with a red/blue control without EOD treatment. Morphological, physiological (gas exchange, chlorophyll fluorescence), biochemical (chlorophyll, anthocyanin), and chemical composition (attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR) and Gas Chromatography-Mass Spectrometry (GC-MS)) were evaluated. EOD G 2 h enhanced photosynthetic pigments, anthocyanins, and biomass, while control plants showed higher phenolic content. EOD R:FR induced stem elongation but reduced pigment and metabolite accumulation. GC-MS revealed organ-specific metabolic specialization, with flowers displaying greater chemical diversity than leaves. EOD G favored sesquiterpene diversity in flowers, while EOD R:FR increased nitrogen-containing compounds and unsaturated fatty acids. Vibrational data supported these shifts, with spectral signatures of esters, phenolics, and lipid-related structures. Bioactive compounds, including α-cadinol and carboxylic acids, were identified across treatments. These findings demonstrate that EOD light modulates physiological and metabolic traits in C. officinalis, highlighting EOD G as an enhancer of biomass and phytochemical richness for pharmaceutical applications under controlled conditions. Full article
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14 pages, 2997 KiB  
Article
The Development of a Multilayer Transdermal Patch Platform Based on Electrospun Nanofibers for the Delivery of Caffeine
by Jorge Teno, Zoran Evtoski, Cristina Prieto and Jose M. Lagaron
Pharmaceutics 2025, 17(7), 921; https://doi.org/10.3390/pharmaceutics17070921 - 16 Jul 2025
Viewed by 380
Abstract
Background/Objectives: The work presented herein focused on the development and characterization of a transdermal caffeine platform fabricated from ultrathin micro- and submicron fibers produced via electrospinning. Methods: The formulations incorporated caffeine encapsulated in a polyethylene oxide (PEO) matrix, combined with various [...] Read more.
Background/Objectives: The work presented herein focused on the development and characterization of a transdermal caffeine platform fabricated from ultrathin micro- and submicron fibers produced via electrospinning. Methods: The formulations incorporated caffeine encapsulated in a polyethylene oxide (PEO) matrix, combined with various permeation enhancers. A backing layer made of annealed electrospun polycaprolactone (PCL) facilitated the lamination of the two layers to form the final multilayer patch. Comprehensive characterization was conducted, utilizing scanning electron microscopy (SEM) to assess the fiber morphology, attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) for chemical detection and to assess the stability of the caffeine, and differential scanning calorimetry (DSC) along with wide-angle X-ray scattering (WAXS) to analyze the physical state of the caffeine within the fibers of the active layer. Additionally, Franz cell permeation studies were performed using both synthetic membranes (Strat-M) and ex vivo human stratum corneum (SC) to evaluate and model the permeation kinetics. Results: These experiments demonstrated the significant role of enhancers in modulating the caffeine permeation rates provided by the patch, achieving permeation rates of up to 0.73 mg/cm2 within 24 h. Conclusions: This work highlights the potential of using electro-hydrodynamic processing technology to develop innovative transdermal delivery systems for drugs, offering a promising strategy for enhancing efficacy and innovative therapeutic direct plasma administration. Full article
(This article belongs to the Special Issue Dermal and Transdermal Drug Delivery Systems)
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21 pages, 5735 KiB  
Article
Estimation of Tomato Quality During Storage by Means of Image Analysis, Instrumental Analytical Methods, and Statistical Approaches
by Paris Christodoulou, Eftichia Kritsi, Georgia Ladika, Panagiota Tsafou, Kostantinos Tsiantas, Thalia Tsiaka, Panagiotis Zoumpoulakis, Dionisis Cavouras and Vassilia J. Sinanoglou
Appl. Sci. 2025, 15(14), 7936; https://doi.org/10.3390/app15147936 - 16 Jul 2025
Viewed by 307
Abstract
The quality and freshness of fruits and vegetables are critical factors in consumer acceptance and are significantly affected during transport and storage. This study aimed to evaluate the quality of greenhouse-grown tomatoes stored for 24 days by combining non-destructive image analysis, spectrophotometric assays [...] Read more.
The quality and freshness of fruits and vegetables are critical factors in consumer acceptance and are significantly affected during transport and storage. This study aimed to evaluate the quality of greenhouse-grown tomatoes stored for 24 days by combining non-destructive image analysis, spectrophotometric assays (including total phenolic content and antioxidant and antiradical activity assessments), and attenuated total reflectance–Fourier transform infrared (ATR-FTIR) spectroscopy. Additionally, water activity, moisture content, total soluble solids, texture, and color were evaluated. Most physicochemical changes occurred between days 14 and 17, without major impact on overall fruit quality. A progressive transition in peel hue from orange to dark orange, and increased surface irregularity of their textural image were noted. Moreover, the combined use of instrumental and image analyses results via multivariate analysis allowed the clear discrimination of tomatoes according to storage days. In this sense, tomato samples were effectively classified by ATR-FTIR spectral bands, linked to carotenoids, phenolics, and polysaccharides. Machine learning (ML) models, including Random Forest and Gradient Boosting, were trained on image-derived features and accurately predicted shelf life and quality traits, achieving R2 values exceeding 0.9. The findings demonstrate the effectiveness of combining imaging, spectroscopy, and ML for non-invasive tomato quality monitoring and support the development of predictive tools to improve postharvest handling and reduce food waste. Full article
(This article belongs to the Section Food Science and Technology)
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19 pages, 1318 KiB  
Article
Decoding Plant-Based Beverages: An Integrated Study Combining ATR-FTIR Spectroscopy and Microscopic Image Analysis with Chemometrics
by Paris Christodoulou, Stratoniki Athanasopoulou, Georgia Ladika, Spyros J. Konteles, Dionisis Cavouras, Vassilia J. Sinanoglou and Eftichia Kritsi
AppliedChem 2025, 5(3), 16; https://doi.org/10.3390/appliedchem5030016 - 16 Jul 2025
Viewed by 915
Abstract
As demand for plant-based beverages grows, analytical tools are needed to classify and understand their structural and compositional diversity. This study applied a multi-analytical approach to characterize 41 commercial almond-, oat-, rice- and soy-based beverages, evaluating attenuated total reflectance Fourier transform infrared (ATR-FTIR) [...] Read more.
As demand for plant-based beverages grows, analytical tools are needed to classify and understand their structural and compositional diversity. This study applied a multi-analytical approach to characterize 41 commercial almond-, oat-, rice- and soy-based beverages, evaluating attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy, protein secondary structure proportions, colorimetry, and microscopic image texture analysis. A total of 26 variables, derived from ATR-FTIR and protein secondary structure assessment, were employed in multivariate models, using partial least squares discriminant analysis (PLS-DA) and orthogonal PLS-DA (OPLS-DA) to evaluate classification performance. The results indicated clear group separation, with soy and rice beverages forming distinct clusters while almond and oat samples showing partial overlap. Variable importance in projection (VIP) scores revealed that β-turn and α-helix protein structures, along with carbohydrate-associated spectral bands, were the key features for beverages’ classification. Textural features derived from microscopy images correlated with sugar and carbohydrate content and color parameters were also employed to describe beverages’ differences related to sugar content and visual appearance in terms of homogeneity. These findings demonstrate that combining ATR-FTIR spectral data with protein secondary structure data enables the effective classification of plant-based beverages, while microscopic image textural and color parameters offer additional extended product characterization. Full article
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18 pages, 11863 KiB  
Article
Storage and Ripening Monitoring of Pecorino Cheese Through 2D 1H-NMR Relaxation and ANOVA Simultaneous Component Analysis (ASCA): A Comparison with DSC and ATR-FTIR Characterization
by Francesca Di Donato, Francesco Gabriele, Alessandra Biancolillo, Cinzia Casieri, Angelo Antonio D’Archivio and Nicoletta Spreti
Molecules 2025, 30(14), 2916; https://doi.org/10.3390/molecules30142916 - 10 Jul 2025
Viewed by 236
Abstract
In food processing, non-destructive and non-invasive characterization is a powerful tool for monitoring processes and controlling quality. Cheeses consist of a large variety of products whose nutritional and sensory properties depend on the source materials, cheesemaking procedures, and biochemical transformations occurring during maturation [...] Read more.
In food processing, non-destructive and non-invasive characterization is a powerful tool for monitoring processes and controlling quality. Cheeses consist of a large variety of products whose nutritional and sensory properties depend on the source materials, cheesemaking procedures, and biochemical transformations occurring during maturation and storage. In this study, proton magnetic resonance relaxation time correlation maps (2D 1H-NMR T1–T2) are used to investigate the effect of the ripening degree on Pecorino cheese and evaluate its evolution during storage in a refrigerator under vacuum-packaging conditions. NMR relaxometry has allowed for non-invasive monitoring of packaged Pecorino cheese slices, and the results were compared with those obtained with the two widely used techniques, i.e., Differential Scanning Calorimetry (DSC) and Attenuated Total Reflectance Fourier-Transform Infrared Spectroscopy (ATR-FTIR). The analysis of variance and simultaneous component analysis (ASCA), separately applied to 2D 1H-NMR T1–T2 correlation maps, DSC, and ATR-FTIR data, suggests that the results obtained with the NMR approach are consistent with those obtained using the two benchmark techniques. In addition, it can distinguish cheeses stored for different durations (storage time) irrespective of their original moisture content (ripening degree), and vice versa, without opening the vacuum-package, which could compromise the integrity of the samples. Full article
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35 pages, 9217 KiB  
Article
Comparative Physicochemical and Pharmacotechnical Evaluation of Three Topical Gel-Cream Formulations
by Ramona Pârvănescu, Cristina Trandafirescu, Adina Magdalena Musuc, Emma Adriana Ozon, Daniela C. Culita, Raul-Augustin Mitran, Cristina-Ionela Stănciulescu and Codruța Șoica
Gels 2025, 11(7), 532; https://doi.org/10.3390/gels11070532 - 9 Jul 2025
Viewed by 532
Abstract
In the context of modern dermocosmetic development, multifunctional topical gel-cream formulations must be efficient for both therapeutic efficacy and cosmetic applications. This study presents a comparative physicochemical and pharmacotechnical analysis of three topical gel-cream formulations developed by Brand Chanand®: Acne Control [...] Read more.
In the context of modern dermocosmetic development, multifunctional topical gel-cream formulations must be efficient for both therapeutic efficacy and cosmetic applications. This study presents a comparative physicochemical and pharmacotechnical analysis of three topical gel-cream formulations developed by Brand Chanand®: Acne Control Cleanser (ACC), Acne Face Cream (AFC), and Gentle Cream Cleanser Serum Control, Regenerating, Hydrating, Calming (IRC). Each formulation is enriched with a specific blend of bioactive compounds, including botanical oils, vitamins, and proteins, designed to treat acne, to support skin regeneration, and to maintain the skin barrier. A multidisciplinary approach was used, including Fourier Transform Infrared Spectroscopy with Attenuated Total Reflectance (FTIR-ATR), differential scanning calorimetry (DSC), rheological evaluation, pH and density determination, spreadability analysis, and oxidative stability testing to evaluate the products. Antioxidant capacity was assessed through multiple in vitro assays. The results demonstrated that all three gel-cream formulations exhibit pseudoplastic rheological behaviour, suitable for topical application. AFC showed the highest oxidative stability and antioxidant activity, while IRC presented superior spreadability and cosmetic efficacy, likely due to its complex composition. ACC displayed faster absorption and was ideal for targeted use on oily or acne-prone skin. The differences observed in the stability and performance suggest that the ingredient synergy, base composition, and solubility profiles show notable variations in dermato-cosmetic formulations. These findings highlight the formulation–performance relationship in topical gel-cream formulations and support the development of new cosmetic products tailored for sensitive and acne-prone skin. Full article
(This article belongs to the Special Issue Hydrogel for Sustained Delivery of Therapeutic Agents (2nd Edition))
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14 pages, 3131 KiB  
Article
New Complex of Salinomycin with Hg(II)—Synthesis and Characterization
by Juliana Ivanova, Irena Pashkunova-Martic, Johannes Theiner, Nikola Burdzhiev, Peter Dorkov and Ivo Grabchev
Inorganics 2025, 13(7), 220; https://doi.org/10.3390/inorganics13070220 - 1 Jul 2025
Viewed by 984
Abstract
Salinomycin is a polyether ionophorous antibiotic with promising antineoplastic properties. Published studies have revealed that the compound also exerts pronounced antidotal activity against cadmium (Cd) and lead (Pb) intoxications. It has been proven that salinomycin with Cd(II) forms a coordination compound of a [...] Read more.
Salinomycin is a polyether ionophorous antibiotic with promising antineoplastic properties. Published studies have revealed that the compound also exerts pronounced antidotal activity against cadmium (Cd) and lead (Pb) intoxications. It has been proven that salinomycin with Cd(II) forms a coordination compound of a composition [Cd(C42H69O11)2(H2O)2] and an octahedral molecular geometry, while the coordination compound of the antibiotic with Pb(II) has a square pyramidal structure and composition [Pb(C42H69O11)(NO3)]. To date, there is no published information about the ability of salinomycin to form complexes with the mercury ion (Hg(II)). Herein, we report, for the first time, a synthetic procedure for a complex compound of salinomycin with Hg(II). The coordination compound was characterized by a variety of methods, such as elemental analysis, attenuated total reflectance–Fourier transform infrared spectroscopy (ATR-FTIR), electrospray ionization–mass spectrometry (ESI-MS), powder X-ray diffraction, nuclear magnetic resonance spectroscopy (NMR), thermogravimetry with differential thermal analysis (TG-DTA), and thermogravimetry with mass spectrometry (TG-MS). The elemental analysis data revealed that the new compound is of the chemical composition [Hg(C42H69O11)(H2O)(OH)]. Based on the results from the spectral analyses, the most probable structure of the complex was proposed. Full article
(This article belongs to the Section Coordination Chemistry)
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13 pages, 1670 KiB  
Article
Rapid Classification of Cow, Goat, and Sheep Milk Using ATR-FTIR and Multivariate Analysis
by Lamprini Dimitriou, Michalis Koureas, Christos Pappas, Athanasios Manouras, Dimitrios Kantas and Eleni Malissiova
Sci 2025, 7(3), 87; https://doi.org/10.3390/sci7030087 - 1 Jul 2025
Cited by 1 | Viewed by 401
Abstract
Sheep and goat milk authenticity is of great importance, especially for countries like Greece, where these products are connected to the country’s rural economy and cultural heritage. The aim of the study is to evaluate the effectiveness of Fourier Transform Infrared Attenuated Total [...] Read more.
Sheep and goat milk authenticity is of great importance, especially for countries like Greece, where these products are connected to the country’s rural economy and cultural heritage. The aim of the study is to evaluate the effectiveness of Fourier Transform Infrared Attenuated Total Reflectance (ATR-FTIR) spectroscopy in combination with chemometric techniques for the classification of cow, sheep, and goat milk and consequently support fraud identification. A total of 178 cow, sheep and goat milk samples were collected from livestock farms in Thessaly, Greece. Sheep and goat milk samples were confirmed as authentic by applying a validated Enzyme Linked Immunosorbent Assay (ELISA), while all samples were analyzed using ATR-FTIR spectroscopy in both raw and freeze-dried form. Freeze-dried samples exhibited clearer spectral characteristics, particularly enhancing the signals from triglycerides, proteins, and carbohydrates. Partial Least Squares Discriminant Analysis (PLS-DA) delivered robust discrimination. By using the spectral range between 600 and 1800 cm−1, 100% correct classification of all milk types was achieved. These findings highlight the potential of FTIR spectroscopy as a fast, non-destructive, and cost-effective tool for milk identification and species differentiation. This method is particularly suitable for industrial and regulatory applications, offering high efficiency. Full article
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31 pages, 5165 KiB  
Article
Green Engineering of Bio-Epoxy Resin: Functionalized Iron-Oxide Nanoparticles for Enhanced Thermal, Mechanical, Surface and Magnetic Properties
by Klementina Pušnik Črešnar and Julio Vidal
Polymers 2025, 17(13), 1819; https://doi.org/10.3390/polym17131819 - 29 Jun 2025
Cited by 1 | Viewed by 437
Abstract
In the pursuit of environmental sustainability, reduced emissions, and alignment with circular economy principles, bio-epoxy resin nanocomposites have emerged as a promising alternative to traditional petroleum-based resins. This study investigates the development of novel bio-epoxy nanocomposites incorporating iron-oxide nanoparticles (Fe2O3 [...] Read more.
In the pursuit of environmental sustainability, reduced emissions, and alignment with circular economy principles, bio-epoxy resin nanocomposites have emerged as a promising alternative to traditional petroleum-based resins. This study investigates the development of novel bio-epoxy nanocomposites incorporating iron-oxide nanoparticles (Fe2O3, MnP) as multifunctional fillers at loadings of 0.5 wt.% and 3.0 wt.%. MnP nanoparticles were synthesized and subsequently functionalized with citric acid (MnP-CA) to enhance their surface properties. Comprehensive characterization of MnP and MnP-CA was performed using X-ray diffraction (XRD) to determine the crystalline structure, attenuated total reflection Fourier-transform infrared spectroscopy (ATR-FTIR), thermogravimetric analysis (TGA), and zeta potential measurements to confirm surface functionalization. The bio-epoxy resins matrix (bio-EP), optimized for compatibility with MnP and MnP-CA, was thoroughly analyzed in terms of chemical structure, thermal stability, curing behavior, dynamic–mechanical properties, and surface characteristics. Non-isothermal differential scanning calorimetry (DSC) was employed to evaluate the curing kinetics of both the neat (bio-EP) and the MnP/MnP-CA-reinforced composites, offering insights into the influence of nanoparticle functionalization on the resin system. Surface zeta potential measurements further elucidated the effect of filler content on the surface charge and hydrophilicity. Magnetic characterization revealed superparamagnetic behavior in all MnP- and MnP-CA-reinforced (bio-EP) composites. This research provides a foundational framework for the design of green bio-epoxy nanocomposites, demonstrating their potential as environmentally friendly materials and representing an emerging class of sustainable alternatives. The results underscore the viability of bio-epoxy systems as a transformative solution for advancing sustainable resin technologies across eco-conscious industries. Full article
(This article belongs to the Special Issue Epoxy Resin and Composites: Properties and Applications)
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15 pages, 1796 KiB  
Article
Comparative In-Depth Investigation of Benchmark Graphene Oxides in the Perspective of Their Integration into Industrial Production Processes
by Georgios N. Mathioudakis, Glykeria A. Visvini, Labrini Sygellou, Amaia Soto Beobide and George A. Voyiatzis
Nanomaterials 2025, 15(13), 980; https://doi.org/10.3390/nano15130980 - 24 Jun 2025
Viewed by 446
Abstract
The incorporation of commercial graphene oxide (GO) into composites offers significant improvements in mechanical, thermal, and electrical properties, making it a promising material for industrial applications. This study presents a comprehensive characterization analysis of five commercial GOs, using advanced techniques to evaluate their [...] Read more.
The incorporation of commercial graphene oxide (GO) into composites offers significant improvements in mechanical, thermal, and electrical properties, making it a promising material for industrial applications. This study presents a comprehensive characterization analysis of five commercial GOs, using advanced techniques to evaluate their structural, chemical, and especially their behavior when submitted to thermal treatment. The aim is to enable the use of GO in industrial processes of particular technological importance, where its thermal stability/integrity is required, such as in polymer composites, electronic and energy storage devices, among others. Raman spectroscopy and attenuated total reflectance–Fourier-transform infrared (ATR-FTIR) spectroscopy are employed to examine the structural defects and functional groups of GOs, while X-ray diffraction (XRD) provides insight into the crystallinity and interlayer spacing. Thermogravimetric analysis (TGA) assesses the thermal stability, and X-ray photoelectron spectroscopy (XPS) offers detailed information on the surface chemistry and relevant elemental composition of GOs. Additionally, the temperature-dependent behavior of GOs is explored through temperature-dependent XRD and IR measurements to investigate the thermal expansion and functional group stability. The study highlights the critical role of oxygen-containing groups—such as epoxides, hydroxyls, and carboxyls—while variations in the type and concentration of these functional groups across commercial GOs could influence the compatibility and performance of nanocomposites. This research attempts to fill to some extent the gap in understanding how the unique properties of different commercial GOs can be strategically applied to meet specific industrial performance requirements, such as barrier properties, transport efficiency, or mechanical strength, among others. Full article
(This article belongs to the Section Nanocomposite Materials)
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20 pages, 1729 KiB  
Article
Development of a Cyclodextrin-Based Drug Delivery System to Improve the Physicochemical Properties of Ceftobiprole as a Model Antibiotic
by Dariusz Boczar, Wojciech Bocian, Jerzy Sitkowski, Karolina Pioruńska and Katarzyna Michalska
Int. J. Mol. Sci. 2025, 26(13), 5953; https://doi.org/10.3390/ijms26135953 - 20 Jun 2025
Viewed by 370
Abstract
This study presents a methodology for developing a cyclodextrin-based delivery system for ceftobiprole, a poorly water-soluble and amphoteric drug, chemically stable in acidic conditions. Ceftobiprole is a broad-spectrum cephalosporin antibiotic administered clinically as its water-soluble prodrug, ceftobiprole medocaril, due to limited aqueous solubility [...] Read more.
This study presents a methodology for developing a cyclodextrin-based delivery system for ceftobiprole, a poorly water-soluble and amphoteric drug, chemically stable in acidic conditions. Ceftobiprole is a broad-spectrum cephalosporin antibiotic administered clinically as its water-soluble prodrug, ceftobiprole medocaril, due to limited aqueous solubility of the parent compound. Solubility enhancement was achieved through complexation with anionic sulfobutylether-β-cyclodextrin (SBE-β-CD). At a pH below 3, ceftobiprole is protonated and cationic, which facilitates electrostatic interactions with the anionic cyclodextrin. An optimised high-performance liquid chromatography (HPLC) method was used to assess solubility, the impurity profile, and long-term chemical stability. X-ray powder diffraction (XRPD) confirmed the amorphous nature of the system and the absence of recrystallization. Nuclear magnetic resonance (NMR) and attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy supported the formation of a host–guest complex. The freeze-dried system prepared from 0.1 M formic acid solution contained negligible residual acid due to nearly complete sublimation. The most promising formulation was a ternary system of ceftobiprole, maleic acid, and SBE-β-CD (1:25:4 molar ratio), showing ~300-fold solubility improvement, low levels of degradation products, and stability after eight months at −20 °C. After pH adjustment to a parenterally acceptable level, the formulation demonstrated solubility and a pH comparable to the marketed drug product. Full article
(This article belongs to the Section Molecular Informatics)
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19 pages, 586 KiB  
Article
In Vitro Antioxidant, Antithrombotic and Anti-Inflammatory Activities of Bioactive Metabolites Extracted from Kiwi and Its By-Products
by Anastasia Maria Moysidou, Konstantina Cheimpeloglou, Spyridoula Ioanna Koutra, Vasileios Manousakis, Anna Ofrydopoulou, Katie Shiels, Sushanta Kumar Saha and Alexandros Tsoupras
Metabolites 2025, 15(6), 400; https://doi.org/10.3390/metabo15060400 - 13 Jun 2025
Viewed by 650
Abstract
Background/Objectives: Growing interest in natural, health-promoting ingredients for functional foods, nutraceuticals, and cosmetics has increased the demand for bioactive compounds from kiwi (Actinidia deliciosa). This study aimed to assess the antioxidant, anti-inflammatory, and antithrombotic properties of amphiphilic bioactives extracted from kiwi fruit and [...] Read more.
Background/Objectives: Growing interest in natural, health-promoting ingredients for functional foods, nutraceuticals, and cosmetics has increased the demand for bioactive compounds from kiwi (Actinidia deliciosa). This study aimed to assess the antioxidant, anti-inflammatory, and antithrombotic properties of amphiphilic bioactives extracted from kiwi fruit and its by-products, including peel, seeds, and pulp. Methods: Bioactive compounds were extracted and analyzed using liquid chromatography–mass spectrometry (LC–MS) and attenuated total reflectance–Fourier transform infrared (ATR–FTIR) spectroscopy. Antioxidant activity was evaluated using DPPH and ABTS radical scavenging assays. Anti-inflammatory and antithrombotic effects were assessed through inhibition of platelet aggregation induced by platelet-activating factor (PAF) and adenosine diphosphate (ADP) in human platelets. Results: All extracts showed significant antioxidant activity. FTIR and LC–MS analyses confirmed the presence of phenolics, flavonoids, carotenoids, and polar lipids. Kiwi peel extract exhibited the strongest inhibition of PAF- and ADP-induced platelet aggregation, attributed to its higher content of phenolics and unsaturated polar lipids. LC–MS data indicated a favorable fatty acid profile with high omega-9 levels and a low omega-6/omega-3 ratio. Polar lipid structural analysis revealed a predominance of phospholipids with unsaturated fatty acids at the sn-2 position. Conclusions: Kiwi by-products are valuable sources of health-promoting bioactives with antioxidant and anti-inflammatory potential. These findings support their incorporation into nutraceutical, nutricosmetic, and cosmeceutical products and lay the groundwork for further studies on safety, efficacy, and practical application. Full article
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18 pages, 16312 KiB  
Article
Application of Novel Polymer Materials Containing Deep Eutectic Solvents for the Separation of Metal Ions from Alkaline Battery Leachates
by Daria Bożejewicz and Małgorzata A. Kaczorowska
Materials 2025, 18(12), 2768; https://doi.org/10.3390/ma18122768 - 12 Jun 2025
Viewed by 398
Abstract
The widespread, worldwide utilisation of alkaline batteries requires development of proper recycling methods for used batteries, which are considered both as a secondary source of valuable metals and as a threat to the environment (may contain toxic substances). As many separation methods of [...] Read more.
The widespread, worldwide utilisation of alkaline batteries requires development of proper recycling methods for used batteries, which are considered both as a secondary source of valuable metals and as a threat to the environment (may contain toxic substances). As many separation methods of metal ions from battery leachates are based on the use of substances that require complex synthesis or are not eco-safe, new materials suitable for this purpose are systematically sought. Therefore, in this study, the results of the separation of Ni(II), Zn(II) and Mn(II) ions from alkaline battery leachates using polymer materials (PMs) impregnated with easily synthesised, “green” deep eutectic solvents (DESs) or with ionic liquids (ILs) were presented. Additionally, PMs surface wettability were determined and their chemical compositions were analysed using the Fourier transform infrared spectroscopy–attenuated total reflectance (FTIR–ATR) method. Among all PMs synthesised, materials containing DESs (composed of Aliquat 336 or Cyphos IL 101 and diacetamide) performed best in the separation of Ni(II) ions (removal of 93.42% and 80.86%). The application of DES-based PMs for the separation of metal ions from battery leachates is in line with green chemistry principles, and such materials can potentially be used in the processing of e-waste. Full article
(This article belongs to the Special Issue Adsorption Materials and Their Applications (2nd Edition))
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19 pages, 12347 KiB  
Article
Long-Term Physical and Chemical Stability and Energy Recovery Potential Assessment of a New Chelating Resin Used in Brine Treatment for Chlor-Alkali Plants
by Liliana Lazar, Loredana-Vasilica Postolache, Valeria Danilova, Dumitru Coman, Adrian Bele, Daniela Rusu, Mirela-Fernanda Zaltariov and Gabriela Lisa
Polymers 2025, 17(11), 1575; https://doi.org/10.3390/polym17111575 - 5 Jun 2025
Viewed by 538
Abstract
Brine purification is an important process unit in chlor-alkali industrial plants for the production of sodium hydroxide, chlorine, and hydrogen. The membrane cell process requires ultrapure brine, which is obtained through mechanical filtration, chemical precipitation and fine polishing, and ion exchange using polymer [...] Read more.
Brine purification is an important process unit in chlor-alkali industrial plants for the production of sodium hydroxide, chlorine, and hydrogen. The membrane cell process requires ultrapure brine, which is obtained through mechanical filtration, chemical precipitation and fine polishing, and ion exchange using polymer resins. Temperature variations can lead to the degradation of the exchange properties of these resins, primarily causing a decrease in their exchange capacity, which negatively impacts the efficiency of the brine purification. After multiple ion exchange regeneration cycles, significant quantities of spent resins may be generated. These must be managed in accordance with resource efficiency and hazardous waste management to ensure the sustainability of the industrial process. In this paper, a comparative study is conducted to characterize the long-term stability of a new commercial chelating resin used in the industrial electrolysis process. The spectroscopic methods of physicochemical characterization included: scanning electron microscopy with energy dispersive X-ray spectroscopy (SEM-EDX) and attenuated total reflectance–Fourier transform infrared spectroscopy (ATR-FTIR). The thermal behavior of the polymer resins was evaluated using the following thermogravimetric methods: thermogravimetry (TG), derivative thermogravimetry (DTG), and differential thermal analysis (DTA), while the moisture behavior was studied using dynamic vapor sorption (DVS) analysis. To assess the energy potential, the polymer resins were analyzed to determine their calorific value and overall energy content. Full article
(This article belongs to the Special Issue Current and Future Trends in Thermosetting Resins)
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