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Keywords = 13C NMR analysis

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6 pages, 625 KiB  
Communication
Three Hypoxanthine Derivatives from the Marine Cyanobacterium Okeania hirsuta
by Ryoya Kawabe, Botao Zhang, Ryuichi Watanabe, Hajime Uchida, Masayuki Satake and Hiroshi Nagai
Molbank 2025, 2025(3), M2051; https://doi.org/10.3390/M2051 - 21 Aug 2025
Viewed by 88
Abstract
Three novel hypoxanthine derivatives (13) were obtained from the Okinawan cyanobacterium Okeania hirsuta. The structures of these compounds were elucidated mainly based on the spectroscopic data, including 1D and 2D NMR, as well as high-resolution mass spectrometry. In [...] Read more.
Three novel hypoxanthine derivatives (13) were obtained from the Okinawan cyanobacterium Okeania hirsuta. The structures of these compounds were elucidated mainly based on the spectroscopic data, including 1D and 2D NMR, as well as high-resolution mass spectrometry. In particular, the amounts of obtained compounds 2 and 3 were only 200 μg and much less than 50 μg, respectively. Therefore, some carbons signals could not be observed on 13C NMR spectra of these compounds. However, the detailed analysis of HSQC and HMBC spectra allowed us to elucidate their structures. For NMR measurements of compound 3, it was found that using an 800 MHz NMR machine equipped with a cryogenic probe and acetic acid-d4 as a solvent is essential. Compounds (13) were N-3′-carbonylbutyl group-connected hypoxanthines. Full article
(This article belongs to the Section Natural Product Chemistry)
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24 pages, 2449 KiB  
Article
Synthesis and Characterization of a New Hydrogen-Bond-Stabilized 1,10-Phenanthroline–Phenol Schiff Base: Integrated Spectroscopic, Electrochemical, Theoretical Studies, and Antimicrobial Evaluation
by Alexander Carreño, Evys Ancede-Gallardo, Ana G. Suárez, Marjorie Cepeda-Plaza, Mario Duque-Noreña, Roxana Arce, Manuel Gacitúa, Roberto Lavín, Osvaldo Inostroza, Fernando Gil, Ignacio Fuentes and Juan A. Fuentes
Chemistry 2025, 7(4), 135; https://doi.org/10.3390/chemistry7040135 - 21 Aug 2025
Viewed by 411
Abstract
A new Schiff base, (E)-2-(((1,10-phenanthrolin-5-yl)imino)methyl)-4,6-di-tert-butylphenol (Fen-IHB), was designed to incorporate an intramolecular hydrogen bond (IHB) between the phenolic OH and the azomethine nitrogen with the goal of modulating its physicochemical and biological properties. Fen-IHB was synthesized by condensation of [...] Read more.
A new Schiff base, (E)-2-(((1,10-phenanthrolin-5-yl)imino)methyl)-4,6-di-tert-butylphenol (Fen-IHB), was designed to incorporate an intramolecular hydrogen bond (IHB) between the phenolic OH and the azomethine nitrogen with the goal of modulating its physicochemical and biological properties. Fen-IHB was synthesized by condensation of 5-amino-1,10-phenanthroline with 3,5-di-tert-butyl-2-hydroxybenzaldehyde and exhaustively characterized by HR-ESI-MS, FTIR, 1D/2D NMR (1H, 13C, DEPT-45, HH-COSY, CH-COSY, D2O exchange), and UV–Vis spectroscopy. Cyclic voltammetry in anhydrous CH3CN revealed a single irreversible cathodic peak at −1.43 V (vs. Ag/Ag+), which is consistent with the intramolecular reductive coupling of the azomethine moiety. Density functional theory (DFT) calculations, including MEP mapping, Fukui functions, dual descriptor analysis, and Fukui potentials with dual descriptor potential, identified the exocyclic azomethine carbon as the principal nucleophilic site and the phenolic ring (hydroxyl oxygen and adjacent carbons) as the main electrophilic region. Noncovalent interaction (NCI) analysis further confirmed the strength and geometry of the intramolecular hydrogen bond (IHB). In vitro antimicrobial assays indicated that Fen-IHB was inactive against Gram-negative facultative anaerobes (Salmonella enterica serovar Typhimurium and Typhi, Escherichia coli) and strictly anaerobic Gram-positive species (Clostridioides difficile, Roseburia inulinivorans, Blautia coccoides), as any growth inhibition was indistinguishable from the DMSO control. Conversely, Fen-IHB displayed measurable activity against Gram-positive aerobes and aerotolerant anaerobes, including Bacillus subtilis, Streptococcus pyogenes, Enterococcus faecalis, Staphylococcus aureus, and Staphylococcus haemolyticus. Overall, these comprehensive characterization results confirm the distinctive chemical and electronic properties of Fen-IHB, underlining the crucial role of the intramolecular hydrogen bond and electronic descriptors in defining its reactivity profile and selective biological activity. Full article
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7 pages, 403 KiB  
Communication
Synthesis of a New Bioconjugate Steroid Pyridinium Salt Derived from Allopregnanolone Acetate
by Hisami Rodríguez-Matsui, J. Luis Sánchez-Juárez, Vladimir Carranza-Téllez, Joel L. Terán, Jesús Sandoval-Ramirez and Alan Carrasco-Carballo
Molbank 2025, 2025(3), M2050; https://doi.org/10.3390/M2050 - 20 Aug 2025
Viewed by 125
Abstract
Because allopregnanolone and derivatives represent biologically active molecules, in this letter, we present the synthesis of a new bioconjugate steroid pyridinium salt derived from allopregnanolone in three steps. The key steps involve the formation of the hydrazone intermediate, followed by condensation with bromoacetyl [...] Read more.
Because allopregnanolone and derivatives represent biologically active molecules, in this letter, we present the synthesis of a new bioconjugate steroid pyridinium salt derived from allopregnanolone in three steps. The key steps involve the formation of the hydrazone intermediate, followed by condensation with bromoacetyl bromide and subsequent coupling with pyridine to generate the pyridinium bromide salt. The new bioconjugate steroid pyridinium salt, 4, was fully characterized by proton and carbon nuclear magnetic resonance (1H and 13C NMR) spectroscopy, mass spectrometry (MS), and Fourier transform infrared spectroscopy (FTIR). 1H-NMR analysis revealed the presence of a dynamic rotameric mixture in a 7:3 ratio of Z/E amide conformers, which were identified by a 2D NOESY experiment. Full article
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7 pages, 612 KiB  
Short Note
4-(1,3-Dioxoisoindolin-2-yl)butyl(2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylate
by Zihan Chen, Ka Fai Leong, Carmine Coluccini and Paolo Coghi
Molbank 2025, 2025(3), M2048; https://doi.org/10.3390/M2048 - 19 Aug 2025
Viewed by 150
Abstract
In this report, we describe the synthesis of a compound derived from the natural compound celastrol, which is connected to a phthalimide moiety via an ester linkage. The compound was fully characterized by proton (1H), carbon-13 (13C), heteronuclear single-quantum [...] Read more.
In this report, we describe the synthesis of a compound derived from the natural compound celastrol, which is connected to a phthalimide moiety via an ester linkage. The compound was fully characterized by proton (1H), carbon-13 (13C), heteronuclear single-quantum coherence (HSQC), and distortionless enhancement by polarization transfer (DEPT) NMR. Ultraviolet–visible spectroscopy (UV-Vis), Fourier-transform infrared (FTIR), and elementary analysis were also performed. Full article
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15 pages, 1674 KiB  
Article
Characterization of Litter and Topsoil Under Different Vegetation Cover by Using a Chemometric Approach
by Fulvia Tambone, Anna Masseroli, Paolo Beccarelli, Luca Breno, Marco Zuccolo, Gigliola Borgonovo, Stefania Mazzini, Alex Golinelli and Barbara Scaglia
Forests 2025, 16(8), 1349; https://doi.org/10.3390/f16081349 - 19 Aug 2025
Viewed by 197
Abstract
Leaf litter conservation practices in forests can contribute to increasing CO2 storage in natural soils as organic matter; however, this process depends on the type of vegetation cover. This study, using different approaches, aimed to assess this process starting from the characteristics [...] Read more.
Leaf litter conservation practices in forests can contribute to increasing CO2 storage in natural soils as organic matter; however, this process depends on the type of vegetation cover. This study, using different approaches, aimed to assess this process starting from the characteristics of three different types of litters and topsoil (0–5 cm depth) originating from chestnut, beech, and pine in various forest locations within the territory of Edolo (Camonica Valley, Central Italian Alps). Both labile (DOM) and recalcitrant (ROM) organic matter fractions were considered. Microbial degradation activity was strongly influenced by DOM (DOM vs. Respiration mg CO2 g−1 dry matter: r = 0.96), and NMR spectroscopy showed that aromatic C and polymethylene C in long-chain aliphatic structures (e.g., lipids, cutin) became more evident from litters to topsoils due to a concentration effect. Finally, chemometric elaboration of quantitative and qualitative data identified two principal component (PC) profiles, explaining 88% of the total variance, in which litter and the topsoil samples were spatially separated, indicating that significant changes occurred during the decomposition process. An Evolution Index (EI) calculated highlighted greater changes for chestnut (0.90) followed by pine (0.60) and beech (0.48), in agreement with chemical (degradation rates of 14.21%, 49.11%, and 48% for beech, chestnut, and pine litter, respectively) and spectroscopic data. Beech litter appears to be more efficient at conserving organic carbon. These findings underscore the importance of understanding litter characteristics for forest management, suggesting which species are most effective in promoting soil carbon storage. Full article
(This article belongs to the Section Forest Soil)
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20 pages, 5917 KiB  
Article
Montmorillonite and Composite Amino Acid Overcome the Challenges of Straw Return in Cold-Region Soil: Synergistic Mechanisms of Rapid Straw Humification and Carbon Sequestration
by Xingyan Chen, Tchoumtchoua Foka Joseline Galliane, Chongyang Zhao, Yanhui Feng and Mingtang Li
Agronomy 2025, 15(8), 1979; https://doi.org/10.3390/agronomy15081979 - 17 Aug 2025
Viewed by 340
Abstract
This study aimed to develop an effective method to overcome the challenge of straw return in cold-region soil. We systematically investigated the synergistic mechanism of montmorillonite (MMT) and composite amino acid (CAA) on straw humification and carbon sequestration through a low-temperature litterbag field [...] Read more.
This study aimed to develop an effective method to overcome the challenge of straw return in cold-region soil. We systematically investigated the synergistic mechanism of montmorillonite (MMT) and composite amino acid (CAA) on straw humification and carbon sequestration through a low-temperature litterbag field experiment. The results indicate that the combined treatment (MMT-CAA) significantly increased the decomposition rate of straw by 42.1% compared to the control (CK), with MMT showing particular efficacy in lignin degradation (28.3% reduction), while the CAA preferentially decomposed cellulose (19.7% reduction). An FTIR analysis of the decomposition products confirmed these findings. Water-soluble organic carbon (WEOC) and its three-dimensional fluorescence spectra exhibited a 25.0% increase in MMT-CAA and enhanced aromaticity of humic acid-like substances. Humic substances and their 13C-NMR revealed that MMT-CAA enhanced humic acid formation and molecular stability by 31.4% (with a 47.8% increase in aromaticity). A further redundancy analysis and symbiotic network of microorganisms demonstrated that MMT-CAA increased the abundance of lignocellulose-degrading phyla (Actinomycetes and Stramenomycetes) and the formation of a complex co-degradation network. Field corn planting trials indicated that MMT-CAA increased plant height by 55.1%, stem thickness by 58.7%, leaf area by 70.2%, and the SPAD value by 41.1%. Additionally, MMT significantly reduced CO2 and N2O emission fluxes by 35.6% and 15.8%, respectively, while MMT-CAA increased CH4 uptake fluxes by 13.4%. This study presents an innovative strategy, providing mechanistic insights and practical solutions to synergistically address the challenges of slow straw decomposition and carbon loss in cold regions. Full article
(This article belongs to the Section Agroecology Innovation: Achieving System Resilience)
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11 pages, 3752 KiB  
Article
Discovery of a Hepatoprotective Trinor-Sesterterpenoid from the Marine Fungus Talaromyces sp. Against Hepatic Ischemia-Reperfusion Injury
by Wenxun Lan, Jian Cai, Liyan Yan, Xinyi Wu, Lisha Zhang, Chunmei Chen, Zhongqiu Liu, Xuefeng Zhou and Lan Tang
Mar. Drugs 2025, 23(8), 329; https://doi.org/10.3390/md23080329 - 16 Aug 2025
Viewed by 317
Abstract
A new trinor-sesterterpenoid penitalarin D (1), with a 3,6-dioxabicyclo[3.1.0]hexane moiety, as well as two known compounds, penitalarin C (2) and nafuredin A (3), were obtained from the mangrove sediment-derived Talaromyces sp. SCSIO 41412. Their structures were determined [...] Read more.
A new trinor-sesterterpenoid penitalarin D (1), with a 3,6-dioxabicyclo[3.1.0]hexane moiety, as well as two known compounds, penitalarin C (2) and nafuredin A (3), were obtained from the mangrove sediment-derived Talaromyces sp. SCSIO 41412. Their structures were determined by detailed NMR, MS spectroscopic analyses, and ECD calculations. Penitalarin D (1) and nafuredin A (3) showed toxicity or no toxicity against HepG2 cells at a concentration of 200 μM. The transcriptome sequencing and bioinformatics analysis revealed that 3 could be effective by regulating ferroptosis pathways in HepG2 cells, which was subsequently validated by RT-qPCR, demonstrating significant upregulation of ferroptosis-related genes. Pre-treatment with 3 could mitigate hypoxia-reoxygenation-induced damage in the oxygen glucose deprivation/reperfusion (OGD/R) cell model. Given the structural similarity of compounds 1, 2, and 3, we also screened compounds 1 and 2 in an AML12 OGD/R model. As no significant activity was observed, compound 3 was selected for subsequent in vivo studies. Subsequently, in vivo experiments demonstrated that 3 could significantly decrease pro-inflammatory cytokines and display the hepatoprotective effects against hepatic ischemia-reperfusion injury (HIRI). These findings identified nafuredin A (3) as a promising hepatoprotective agent for new drug development. Full article
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16 pages, 4827 KiB  
Article
Molecular Structure of the Humic Acids Isolated from Organic Material from Modern and Paleosoils (MIS 5e and MIS 7) of Batagay Megaslump Ice Complex Deposits (Yakutia, Russia)
by Vyacheslav Polyakov, Alexey Lupachev, Evgeny Abakumov and Petr Danilov
Environments 2025, 12(8), 282; https://doi.org/10.3390/environments12080282 - 15 Aug 2025
Viewed by 340
Abstract
The degradation of modern and ancient permafrost-affected soils and organic-rich sediments and the release of relict soil organic matter from the frozen state are critical for understanding the global carbon cycle in a changing climate. The molecular structure of humic acids isolated from [...] Read more.
The degradation of modern and ancient permafrost-affected soils and organic-rich sediments and the release of relict soil organic matter from the frozen state are critical for understanding the global carbon cycle in a changing climate. The molecular structure of humic acids isolated from modern Cryosols and paleosoils from the Ice Complex deposits in the Batagay megaslump area was investigated. The elemental composition analysis was performed using a CHN analyzer, and molecular composition analysis was determined by CP/MAS 13C-NMR spectroscopy. Analysis of the molecular structure of humic acids showed that MIS 5e paleosoils are characterized by a relatively high content of aliphatic structural fragments (C,H-AL—29–36%) and a low content of aromatic structural fragments (AR/AL—0.49–0.43), which reveals low humification rates in this time period. The composition of humic acids from MIS 7 paleosoils shows a relatively high content of aromatic structural fragments compared to modern soils (AR/AL—0.47) and MIS 5e deposits (AR/AL—0.67–0.54), indicating a longer humification process in heterogenic conditions (warm and cold periods). The results indicate that the molecular structure of humic acids is a dynamic parameter of the environment that reflects the local conditions of pedogenesis and organic matter formation. Permafrost thawing leads to the release of organic matter (including matter that is relatively weakly resistant to biodegradation where aliphatic structural fragments dominate the composition of humic acids) that may strengthen the emission of climate-active gases into the atmosphere and boost climate change. Full article
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14 pages, 1380 KiB  
Article
Three New Prenylated Dihydrobenzofurans and a New Flavonoid Glycoside from the Aerial Parts of Myrsine seguinii
by Youngwoo Jin, Hye Jin Kim, Kye Jung Shin, Khin Myo Htwe and Kee Dong Yoon
Molecules 2025, 30(16), 3385; https://doi.org/10.3390/molecules30163385 - 14 Aug 2025
Viewed by 315
Abstract
In this study, we aimed to determine the chemical constituents of M. seguinii, which led to the isolation and identification of 26 compounds. Three new prenylated dihydrobenzofurans [myrsinoic acids I (1), J (2), and K (3)] [...] Read more.
In this study, we aimed to determine the chemical constituents of M. seguinii, which led to the isolation and identification of 26 compounds. Three new prenylated dihydrobenzofurans [myrsinoic acids I (1), J (2), and K (3)] and a new flavonoid glycoside, mearnsetin 3-O-α-L-arabinopyranoside (4), were discovered, and the absolute configuration of the known compound, myrsinoic acid B (5), was re-established. To ensure the structural accuracy of these compounds, comprehensive spectroscopic analyses were performed, including one- and two-dimensional nuclear magnetic resonance spectroscopy, mass spectrometry, and circular dichroism spectroscopy. In addition, computational analysis methods such as density functional theory (DFT)-based Electronic Circular Dichroism (ECD) simulations and Gauge-Including Atomic Orbitals (GIAOs) 1H and 13C NMR chemical shift calculations with DP4+ probability analysis were utilised to further support the structural assignments. Full article
(This article belongs to the Section Natural Products Chemistry)
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29 pages, 3993 KiB  
Article
Ammonium Catecholaldehydes as Multifunctional Bioactive Agents: Evaluating Antimicrobial, Antioxidant, and Antiplatelet Activity
by Andrei V. Bogdanov, Roza G. Tagasheva, Alexandra Voloshina, Anna Lyubina, Olga Tsivileva, Artem N. Kuzovlev, Wang Yi, Aleksandr V. Samorodov, Guzel K. Ziyatdinova, Elnara R. Zhiganshina, Maxim V. Arsenyev and Sergey V. Bukharov
Int. J. Mol. Sci. 2025, 26(16), 7866; https://doi.org/10.3390/ijms26167866 - 14 Aug 2025
Viewed by 309
Abstract
A wide range of water-soluble quaternary ammonium acylhydrazones based on catecholaldehyde were synthesized and characterized using NMR, IR spectroscopy, and elemental analysis. The total antioxidant capacity of the acylhydrazones discussed herein was estimated via coulometric titration with electrogenerated bromine. Pyridinium derivatives 11a [...] Read more.
A wide range of water-soluble quaternary ammonium acylhydrazones based on catecholaldehyde were synthesized and characterized using NMR, IR spectroscopy, and elemental analysis. The total antioxidant capacity of the acylhydrazones discussed herein was estimated via coulometric titration with electrogenerated bromine. Pyridinium derivatives 11ae exhibited the highest antioxidant capacity. Quaternary ammonium acylhydrazones demonstrated high antimicrobial activity against Gram-positive bacteria, including methicillin-resistant Staphylococcus aureus strains. Furthermore, low hemo- and cytotoxicity and the absence of a negative effect on the hemostatic system were confirmed for the studied compounds. According to the results of a CV test, the antimicrobial effect of the most active acylhydrazones, namely, 9a, 10b, 10c, and 11a, is associated with the destruction of the bacterial cell wall. High or moderate activity against phytopathogens of bacterial origin was observed for all the acylhydrazones evaluated. Anti-aggregation activity was observed for compound 10b; the extent was 1.6-fold greater than that exhibited by acetylsalicylic acid. On the contrary, compound 9d exhibited a pro-aggregant effect (with a 6.3% increase in platelet aggregation and a >15% decrease in the latent period compared to the control). Thus, the data obtained can be considered the basis for further pharmaceutical development of these effective drugs with antithrombotic and hemostatic potential. Full article
(This article belongs to the Special Issue Biosynthesis and Application of Natural Compound)
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15 pages, 12294 KiB  
Article
Physicochemical Properties of Supramolecular Complexes Formed Between Cyclodextrin and Rice Bran-Derived Komecosanol
by Mione Uchimura, Akiteru Ohtsu, Junki Tomita, Yoshiyuki Ishida, Daisuke Nakata, Keiji Terao and Yutaka Inoue
Physchem 2025, 5(3), 34; https://doi.org/10.3390/physchem5030034 - 13 Aug 2025
Viewed by 242
Abstract
In this study, supramolecular inclusion complexes composed of komecosanol (Ko), a lipophilic compound derived from rice bran, and α-cyclodextrin (αCD) were prepared using a solvent-free three-dimensional (3D) ball milling method. Their physicochemical properties were examined using various techniques. Powder X-ray diffraction analysis of [...] Read more.
In this study, supramolecular inclusion complexes composed of komecosanol (Ko), a lipophilic compound derived from rice bran, and α-cyclodextrin (αCD) were prepared using a solvent-free three-dimensional (3D) ball milling method. Their physicochemical properties were examined using various techniques. Powder X-ray diffraction analysis of the ground mixture at a Ko/αCD ratio of 1/8 revealed the disappearance of diffraction peaks characteristic of Ko and the emergence of new peaks, indicating the formation of a distinct crystalline phase. Moreover, differential scanning calorimetry analysis showed the disappearance of the endothermic peaks corresponding to Ko, indicating molecular-level interactions with αCD. Near-infrared spectroscopy results suggested the formation of hydrogen bonds between the C–H groups of Ko and the O–H groups of αCD. Solid-state 13C CP/MAS NMR and T1 relaxation time measurements indicated the formation of a pseudopolyrotaxane structure, while scanning electron microscopy images confirmed distinct morphological changes consistent with complex formation. These findings demonstrate that 3D ball milling facilitates the formation of Ko/αCD inclusion complexes with a supramolecular architecture, providing a novel approach to improve the formulation and bioavailability of poorly water-soluble lipophilic compounds. Full article
(This article belongs to the Section Biophysical Chemistry)
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13 pages, 2151 KiB  
Article
Unveiling Adulterated Cheese: A 1H-NMR-Based Lipidomic Approach
by Maria-Cristina Todașcă, Mihaela Tociu and Fulvia-Ancuța Manolache
Foods 2025, 14(16), 2789; https://doi.org/10.3390/foods14162789 - 11 Aug 2025
Viewed by 284
Abstract
The main objective of this research consists in finding a rapid method for cheese lipidomics based on NMR data. This study plays an important role in differentiation and characterization of cheese samples in accordance with fat composition, especially in the case of fat [...] Read more.
The main objective of this research consists in finding a rapid method for cheese lipidomics based on NMR data. This study plays an important role in differentiation and characterization of cheese samples in accordance with fat composition, especially in the case of fat substitution with exogenous animal or vegetal fat. Our findings play an important role in relation to religious requirements regarding non-allowed foods (pork fat, for example, in some cultures) and in the correct characterization of foods according to their lipidic profile. The approach consists in establishing a fingerprint region (0.86–0.93 ppm from 1H-NMR spectra) and then creating a database of the results obtained. The evaluation of the long-chain saturated fatty acids and the saturated short-chain fatty acids (C4 to C8) was established with a newly developed set of equations that make the computation possible even when mixtures of fats from different sources are present. This was accomplished by developing a new method for quantification of the fatty acid composition of different types of cheese, based on 1H-NMR spectroscopy. Principal component analysis (PCA) was applied to 40 cheese samples with varying degrees (0%, 5%, 12%, or 15%) of milk fat substitution (pork fat, vegetable fat, hydrogenated oils) and different clotting agents (calcium chloride or citric acid). The best sample discrimination was achieved using fatty acid profiles estimated from 1H-NMR data (using a total of six variables), explaining 89.7% of the total variance. Clear separation was observed between samples containing only milk fat and those with added fats. These results demonstrate that the integration of 1H-NMR spectroscopy with principal component analysis (PCA) provides a reliable approach for discriminating cheese samples according to their fat composition. Full article
(This article belongs to the Special Issue Quantitative NMR and MRI Methods Applied for Foodstuffs)
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15 pages, 2377 KiB  
Article
Orodispersible Hydrogel Film Technology for Optimized Galantamine Delivery in the Treatment of Alzheimer’s Disease
by Dilyana Georgieva, Ivana Bogdanova, Rositsa Mihaylova, Mariela Alexandrova, Silvia Bozhilova, Darinka Christova and Bistra Kostova
Gels 2025, 11(8), 629; https://doi.org/10.3390/gels11080629 - 10 Aug 2025
Viewed by 265
Abstract
Alzheimer’s disease is the most widespread neurodegenerative disease in the world. Galantamine hydrobromide (GH) is one of the drugs used to treat mild to moderate dementia of the Alzheimer type. Due to the fact that the specificity of the disease requires maximally facilitated [...] Read more.
Alzheimer’s disease is the most widespread neurodegenerative disease in the world. Galantamine hydrobromide (GH) is one of the drugs used to treat mild to moderate dementia of the Alzheimer type. Due to the fact that the specificity of the disease requires maximally facilitated intake, orodispersible films present such an opportunity. In the present study orodispersible films based on poly(2-ethyl-2-oxazoline) as well as partially hydrolyzed poly(2-ethyl-2-oxazoline) were prepared and studied as delivery systems for GH. Two samples of partially hydrolyzed PEtOx were synthesized—one of relatively low degree of hydrolysis and another one of relatively high degree of hydrolysis, and studied by Nuclear Magnetic Resonance (NMR). Cytotoxicity assay was performed that validated the low hydrolyzed derivative as biocompatible polymer that maintained desirable physicochemical characteristics without compromising the safety, thereby it was selected for further research. The films were prepared by the solution casting method and characterized by different methods. FTIR was used to determine the potential interactions between the galantamine molecule and the film components. Based on the Thermogravimetric Analysis (TGA) conducted, it was concluded that all films were sufficiently thermally stable, as the component decomposition stage (after initial solvent removal) began above 180 °C. The polymer films were further characterized with the determination of Shore hardness and the results showed that the films containing glycerol as a plasticizer exhibited higher hardness compared to those with PEG as a plasticizer. The disintegration time of the films was determined visually using Petri dishes and it was found that the films disintegrated within the range of 0.52 to 1.58 min, fully meeting the pharmacopoeial requirements. GH release profiles in PBS at 37 °C were obtained, and it was found that by the second minute, 80–90% of the drug were released from the different films, and the release followed an anomalous diffusion mechanism (Case II). Full article
(This article belongs to the Special Issue Properties and Structure of Hydrogel-Related Materials (2nd Edition))
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20 pages, 2299 KiB  
Article
Valorization of Waste Mineral Wool and Low-Rank Peat in the Fertilizer Industry in the Context of a Resource-Efficient Circular Economy
by Marta Huculak-Mączka, Dominik Nieweś, Kinga Marecka and Magdalena Braun-Giwerska
Sustainability 2025, 17(15), 7083; https://doi.org/10.3390/su17157083 - 5 Aug 2025
Viewed by 344
Abstract
This study aims to evaluate eco-innovative solutions in the fertilizer industry that allow for waste valorization in the context of a resource-efficient circular economy. A comprehensive reuse strategy was developed for low-rank peat and post-cultivation horticultural mineral wool, involving the extraction of valuable [...] Read more.
This study aims to evaluate eco-innovative solutions in the fertilizer industry that allow for waste valorization in the context of a resource-efficient circular economy. A comprehensive reuse strategy was developed for low-rank peat and post-cultivation horticultural mineral wool, involving the extraction of valuable humic substances from peat and residual nutrients from used mineral wool, followed by the use of both post-extraction residues to produce organic–mineral substrates. The resulting products/semifinished products were characterized in terms of their composition and properties, which met the requirements necessary to obtain the admission of this type of product to the market in accordance with the Regulation of the Minister for Agriculture and Rural Development of 18 June 2008 on the implementation of certain provisions of the Act on fertilizers and fertilization (Journal of Laws No 119, item 765). Elemental analysis, FTIR spectroscopy, and solid-state CP-MAS 13C NMR spectroscopy suggest that post-extraction peat has a relatively condensed structure with a high C content (47.4%) and a reduced O/C atomic ratio and is rich in alkyl-like matter (63.2%) but devoid of some functional groups in favor of extracted fulvic acids. Therefore, it remains a valuable organic biowaste, which, in combination with post-extraction waste mineral wool in a ratio of 60:40 and possibly the addition of mineral nutrients, allows us to obtain a completely new substrate with a bulk density of 264 g/m3, a salinity of 7.8 g/dm3 and a pH of 5.3, with an appropriate content of heavy metals and with no impurities, meeting the requirements of this type of product. A liquid fertilizer based on an extract containing previously recovered nutrients also meets the criteria in terms of quality and content of impurities and can potentially be used as a fertilizing product suitable for agricultural crops. This study demonstrates a feasible pathway for transforming specific waste streams into valuable agricultural inputs, contributing to environmental protection and sustainable production. The production of a new liquid fertilizer using nutrients recovered from post-cultivation mineral wool and the preparation of an organic–mineral substrate using post-extraction solid residue is a rational strategy for recycling hard-to-biodegrade end-of-life products. Full article
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21 pages, 932 KiB  
Article
Investigating Roasted Açaí (Euterpe oleracea) Seed Powder as a Coffee Substitute: Effects of Water Temperature, Milk Addition, and In Vitro Digestion on Phenolic Content and Antioxidant Capacity
by Rayssa Cruz Lima, Carini Aparecida Lelis, Jelmir Craveiro de Andrade and Carlos Adam Conte-Junior
Foods 2025, 14(15), 2696; https://doi.org/10.3390/foods14152696 - 31 Jul 2025
Viewed by 564
Abstract
Açaí (Euterpe oleracea) seeds account for up to 95% of the fruit’s weight and are commonly discarded during pulp processing. Roasted açaí seed extract (RASE) has recently emerged as a caffeine-free coffee substitute, although its composition and functionality remain underexplored. This [...] Read more.
Açaí (Euterpe oleracea) seeds account for up to 95% of the fruit’s weight and are commonly discarded during pulp processing. Roasted açaí seed extract (RASE) has recently emerged as a caffeine-free coffee substitute, although its composition and functionality remain underexplored. This study characterized commercial açaí seed powder and evaluated the effect of temperature on the recovery of total phenolic content (TPC) in the aqueous extract using a Central Composite Rotatable Design (CCRD). An intermediate extraction condition (6.0 ± 0.5 g 100 mL−1 at 100 °C) was selected, resulting in 21.78 mg GAE/g TPC, 36.23 mg QE/g total flavonoids, and notable antioxidant capacity (FRAP: 183.33 µmol TE/g; DPPH: 23.06 mg TE/g; ABTS: 51.63 mg TE/g; ORAC: 31.46 µmol TE/g). Proton Nuclear Magnetic Resonance (1H NMR) analysis suggested the presence of amino acids, carbohydrates, and organic acids. During in vitro digestion, TPC decreased from 54.31 to 17.48 mg GAE 100 mL−1 when RASE was combined with goat milk. However, higher bioaccessibility was observed with skimmed (33%) and semi-skimmed (35%) cow milk. These findings highlight RASE as a phenolic-rich, antioxidant beverage with functional stability when prepared with boiling water. This is the first study to report the phytochemical profile of RASE and its interactions with different milk types, supporting its potential as a coffee alternative. Full article
(This article belongs to the Special Issue Fruit By-Products and Their Applications in Food Industry)
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