Search Results (6,104)

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

This study presents the synthesis and physicochemical characterization of coordination compounds formed between chrysin, a natural flavonoid, and transition metal ions: Mn(II), Co(II), and Zn(II). The complexes were obtained under mildly basic conditions and analyzed using elemental analysis, thermogravimetric analysis (TGA), silver-assisted laser desorption/ionization mass spectrometry (SALDI-MS), FT-IR spectroscopy, and ¹H NMR. The spectroscopic data confirm that chrysin coordinates as a bidentate ligand through the 5-hydroxyl and 4-carbonyl groups, with structural differences depending on the metal ion involved. The mass spectrometry results revealed distinct stoichiometries: 1:2 metal-to-ligand ratios for Mn(II) and Co(II), and 1:1 for Zn(II), with additional hydroxide coordination. Biological assays demonstrated that Co(II) and Mn(II) complexes exhibit enhanced antibacterial and anti-biofilm activity compared to free chrysin, particularly against drug-resistant Staphylococcus epidermidis, whereas the Zn(II) complex showed negligible biological activity. Full article

Broth cooking is a traditional pretreatment and ripening strategy for high-commercial-value dehydrated marine food, effectively enhancing its texture and rehydration properties. In this work, we characterized the structural information of Maillard reaction products (MRPs) derived from beef scrap stock and investigated their effects on the texture and rehydration performance of dehydrated abalone. The optical and structural properties of the MRPs were analyzed using X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), transmission electron microscopy (TEM), and fluorescence spectroscopy. These MRPs showed osmosis in abalone processing including pretreatment and drying. Low-field nuclear magnetic resonance (LF-NMR) results revealed that MRP pretreatment improved the moisture migration and physicochemical properties of dehydrated abalone. These findings suggest that MRPs, owing to their high osmotic efficiency and nanoscale size, could serve as promising food additives and potential alternatives to traditional penetrating agents in the food industry, enhancing the rehydration performance of dried seafood and reducing quality deterioration. Full article

One of the promising research areas involving carborane derivatives is boron neutron capture therapy (BNCT). Due to the high boron atom content in carborane molecules, these compounds are considered potential candidates for BNCT-based cancer treatment. Despite ongoing studies on various biologically active carboranyl-containing compounds, the search continues for substances that meet the stringent requirements of effective BNCT agents. In this study, the synthesis of carboranyl-containing derivatives of β-arylaliphatic acids is described, along with the investigation of their reactivity with primary and secondary amines, as well as with metals and their hydroxides. The molecular structures of the synthesized compounds were confirmed using Fourier-transform infrared (FTIR) spectroscopy, nuclear magnetic resonance (NMR) spectroscopy, elemental analysis, and mass spectrometry (LC-MS). Cytotoxicity of the water-soluble compound potassium 3-(2-isopropyl-1,2-dicarba-closo-dodecaboran-1-yl)-3-phenylpropanoate was evaluated using several cell lines, including HdFn and MCF-7. Full article

Background/Objectives: Hyperlipidemia is a major risk factor for cardiovascular disease and atherosclerosis. Polyphenols found in polyphenol-rich extra virgin olive oil (EVOO) have been shown to possess strong antioxidant, anti-inflammatory, and cardioprotective properties. The present study aimed to assess the effects of two types of EVOO with different polyphenol content and dosages on the lipid profile of hyperlipidemic patients. Methods: In this single-blind, randomized clinical trial, 50 hyperlipidemic patients were randomized to receive either a higher-dose, lower-phenolic EVOO (414 mg/kg phenols, 20 g/day) or a lower-dose, higher-phenolic EVOO (1021 mg/kg phenols, 8 g/day), for a period of 4 weeks. These doses were selected to ensure equivalent daily polyphenol intake in both groups (~8.3 mg of total phenols/day), based on chemical analysis performed using NMR spectroscopy. The volumes used (8–20 g/day) reflect typical daily EVOO intake and were well tolerated by participants. A group of 20 healthy individuals, separated into two groups, also received the two types of EVOO, respectively, for the same duration. Primary endpoints included blood levels of total blood cholesterol, low-density lipoprotein (LDL), high-density lipoprotein (HDL), triglycerides, lipoprotein-a (Lpa), and apolipoproteins A1 and B. Measurements were performed at baseline and at the end of the 4-week intervention. Linear mixed models were performed for the data analysis. Results: The higher-phenolic, lower-dose EVOO group showed a more favorable change in total blood cholesterol (p = 0.045) compared to the lower-phenolic, higher-dose group. EVOO intake was associated with a significant increase in HDL (p < 0.001) and reduction in Lp(a) (p = 0.040) among hyperlipidemic patients in comparison to healthy individuals. Conclusions: EVOO consumption significantly improved the lipid profile of hyperlipidemic patients. Higher-phenolic EVOO at lower dosages appears to be more effective in improving the lipid profile than lower-phenolic EVOO in higher dosages. Full article

Background: Previous research has demonstrated that 20 kHz probe or 37 kHz bath sonication of poloxamers comprising polypropylene glycol (PPG) and polyethylene glycol (PEG) blocks can generate degradation byproducts that are toxic to mammalian cells and organisms. Herein, an investigation of a PEGylated phospholipid micelle was undertaken to identify low-molecular-weight sonolytic degradation byproducts that could be cytotoxic. The concern here lies with the fact that sonication is a frequently employed step in drug delivery manufacturing processes, during which PEGylated phospholipids can be subjected to shear forces and other extreme oxidative and thermal conditions. Methods: Control and 20 kHz-sonicated micelles of DSPE-mPEG2000 were analyzed using dynamic light scattering (DLS) and zeta potential analyses to study colloidal properties, matrix-assisted laser desorption/ionization–time of flight (MALDI-TOF) mass spectroscopy (MS) and proton nuclear magnetic resonance (¹H-NMR) spectroscopy to study the structural integrity of DSPE-mPEG2000, and ¹H-NMR spectroscopy and high-performance liquid chromatography (HPLC) with ultraviolet (UV) detection to quantitate the formation of low-molecular-weight degradation byproducts. Results: MALDI-TOF-MS analyses of 20 kHz-sonicated DSPE-mPEG2000 revealed the loss of ethylene glycol moieties in accordance with depolymerization of the PEG chain; ¹H-NMR spectroscopy showed the presence of formate, a known oxidative/thermal degradation product of PEG; and HPLC-UV showed that the generation of formate was dependent on 20 kHz probe sonication time between 5 and 60 min. Conclusions: It was found that 20 kHz sonication can degrade the PEG chain of DSPE-mPEG2000, altering the micelle’s PEG corona and generating formate, a known ocular toxicant. Full article

Cancer metabolic reprogramming plays a critical role in tumor progression and therapeutic resistance, underscoring the need for advanced analytical strategies. Metabolomics, leveraging mass spectrometry and nuclear magnetic resonance (NMR) spectroscopy, offers a comprehensive and functional readout of tumor biochemistry. By enabling both targeted metabolite quantification and untargeted profiling, metabolomics captures the dynamic metabolic alterations associated with cancer. The integration of metabolomics with machine learning (ML) approaches further enhances the interpretation of these complex, high-dimensional datasets, providing powerful insights into cancer biology from biomarker discovery to therapeutic targeting. This review systematically examines the transformative role of ML in cancer metabolomics. We discuss how various ML methodologies—including supervised algorithms (e.g., Support Vector Machine, Random Forest), unsupervised techniques (e.g., Principal Component Analysis, t-SNE), and deep learning frameworks—are advancing cancer research. Specifically, we highlight three major applications of ML–metabolomics integration: (1) cancer subtyping, exemplified by the use of Similarity Network Fusion (SNF) and LASSO regression to classify triple-negative breast cancer into subtypes with distinct survival outcomes; (2) biomarker discovery, where Random Forest and Partial Least Squares Discriminant Analysis (PLS-DA) models have achieved >90% accuracy in detecting breast and colorectal cancers through biofluid metabolomics; and (3) prognostic modeling, demonstrated by the identification of race-specific metabolic signatures in breast cancer and the prediction of clinical outcomes in lung and ovarian cancers. Beyond these areas, we explore applications across prostate, thyroid, and pancreatic cancers, where ML-driven metabolomics is contributing to earlier detection, improved risk stratification, and personalized treatment planning. We also address critical challenges, including issues of data quality (e.g., batch effects, missing values), model interpretability, and barriers to clinical translation. Emerging solutions, such as explainable artificial intelligence (XAI) approaches and standardized multi-omics integration pipelines, are discussed as pathways to overcome these hurdles. By synthesizing recent advances, this review illustrates how ML-enhanced metabolomics bridges the gap between fundamental cancer metabolism research and clinical application, offering new avenues for precision oncology through improved diagnosis, prognosis, and tailored therapeutic strategies. Full article

Geographical origin authentication of agrifood products is essential for ensuring their quality, preventing fraud, and maintaining consumers’ trust. In this study, we used proton nuclear magnetic resonance (¹H NMR) and excitation–emission matrix (EEM) fluorescence spectroscopy combined with chemometric methods for the geographical origin characterization of olive drupes and leaves from different Tuscany subregions, where olive oil production is relevant. Single-block approaches were implemented for individual datasets, using principal component analysis (PCA) for data visualization and Soft Independent Modeling of Class Analogy (SIMCA) for sample classification. ¹H NMR spectroscopy provided detailed metabolomic profiles, identifying key compounds such as polyphenols and organic acids that contribute to geographical differentiation. EEM fluorescence spectroscopy, in combination with Parallel Factor Analysis (PARAFAC), revealed distinctive fluorescence signatures associated with polyphenolic content. A mid-level data fusion strategy, integrating the common dimensions (ComDim) method, was explored to improve the models’ performance. The results demonstrated that both spectroscopic techniques independently provided valuable insights in terms of geographical characterization, while data fusion further improved the model performances, particularly for olive drupes. Notably, this study represents the first attempt to apply EEM fluorescence for the geographical classification of olive drupes and leaves, highlighting its potential as a complementary tool in geographic origin authentication. The integration of advanced spectroscopic and chemometric methods offers a reliable approach for the differentiation of samples from closely related areas at a subregional level. Full article

4,4’-Methylenebis(N,N-diglycidylaniline) (AG80), as a high-performance thermosetting material, holds significant application value due to the enhancement of its strength, toughness, and thermal stability. However, conventional toughening methods often lead to a decrease in material strength, limiting their application. Modification of AG80 epoxy resin was performed using hydroxy-terminated polyphenylpropylsiloxane (Z-6018) and a self-synthesized epoxy compatibilizer (P/E30) to regulate the phase structure of the modified resin, achieving a synergistic enhancement in both strength and toughness. The modified resin was characterized by Fourier transform infrared analysis (FTIR), proton nuclear magnetic resonance (¹H NMR) spectroscopy, silicon-29 nuclear magnetic resonance (²⁹Si NMR) spectroscopy, and epoxy value titration. It was found that the phase structure of the modified resin significantly affects mechanical properties. Thus, P/E30 was introduced to regulate the phase structure, achieving enhanced toughness and strength. At 20 wt.% P/E30 addition, the tensile strength, impact strength, and fracture toughness increased by 50.89%, 454.79%, and 152.43%, respectively, compared to AG80. Scanning electron microscopy (SEM) and atomic force microscopy (AFM) analyses indicate that P/E30 regulates the silicon-rich spherical phase and interfacial compatibility, establishing a bicontinuous structure within the spherical phase, which is crucial for excellent mechanical properties. Additionally, the introduction of Z-6018 enhances the thermal stability of the resin. Full article

The transition to sustainable energy systems demands efficient recycling methods for critical raw materials like lithium. In this study, we present a new class of pH- and light-switchable flotation collectors based on isomeric derivatives of the natural product Punicine, termed inverse Punicines. These amphoteric molecules were synthesized via a straightforward four-step route and structurally tuned for hydrophobization by alkylation. Their performance as collectors was evaluated in microflotation experiments of lithium aluminate (LiAlO₂) and silicate matrix minerals such as melilite and calcium silicate. Characterization techniques including ultraviolet-visible (UV-Vis), nuclear magnetic resonance (NMR) and electron spin resonance (ESR) spectroscopy as well as contact angle, zeta potential (ζ potential) and microflotation experiments revealed strong pH- and structure-dependent interactions with mineral surfaces. Notably, N-alkylated inverse Punicine derivatives showed high flotation yields for LiAlO₂ at pH of 11, with a derivative possessing a dodecyl group attached to the nitrogen as collector achieving up to 86% recovery (collector conc. 0.06 mmol/L). Preliminary separation tests showed Li upgrading from 5.27% to 6.95%. Radical formation and light-response behavior were confirmed by ESR and flotation tests under different illumination conditions. These results demonstrate the potential of inverse Punicines as tunable, sustainable flotation reagents for advanced lithium recycling from complex slag systems. Full article

Benzoxazine resins are gaining attention for their impressive thermal stability, low water uptake, and strong mechanical properties. In this work, two new bio-based benzoxazine monomers were developed using renewable arbutin: one combined with 3-(2-aminoethylamino) propyltrimethoxysilane (AB), and the other with furfurylamine (AF). Both were synthesized using a simple Mannich-type reaction and verified through FT-IR and ¹H-NMR spectroscopy. By blending these monomers in different ratios, copolymers with adjustable thermal, dielectric, and surface characteristics were produced. Thermal analysis showed that the materials had broad processing windows and cured effectively, while thermogravimetric testing confirmed excellent heat resistance—especially in AF-rich blends, which left behind more char. The structural changes obtained during curing process were monitored using FT-IR, and XPS verified the presence of key elements like carbon, oxygen, nitrogen, and silicon. SEM imaging revealed that AB-based materials had smoother surfaces, while AF-based ones were rougher; the copolymers fell in between. Dielectric testing showed that increasing AF content raised both permittivity and loss, and contact angle measurements confirmed that surfaces ranged from water-repellent (AB) to water-attracting (AF). Overall, these biopolymers (AB/AF copolymers) synthesized from arbutin combine environmental sustainability with customizability, making them strong candidates for use in electronics, protective coatings, and flame-resistant composite materials. Full article

Although Zn (II)-(−)-Epigallocatechin gallate (EGCg) complex (Zn-EGCg) is known for its promising bioactivities, little attention has been paid to its incorporation into daily green tea consumption. In this study, we aimed to incorporate Zn (II) into green tea extract to promote the formation of Zn-EGCg complex within the tea matrix. We then investigated how the formation of Zn-complexed green tea extract (Zn-GTE) influences the gut microbiota in a Western diet (WD)-fed mouse model. Structural analyses using ultraviolet–visible spectroscopy (UV–Vis), Fourier-transform infrared spectroscopy (FT-IR), proton nuclear magnetic resonance (¹H NMR), and powder X-ray diffraction (PXRD) suggested that Zn (II) interacted with hydroxyl groups of polyphenols within the extract, consistent with Zn-EGCg formation, although the complex could not be unequivocally identified. Under intake levels equivalent to daily consumption, Zn-GTE administration restored WD-induced reductions in alpha-diversity and resulted in a distinct microbial composition compared to treatment with green tea extract (GTE) or Zn alone, as shown by beta-diversity analysis. Linear discriminant analysis Effect Size (LEfSe) analysis revealed increased abundances of bacterial taxa belonging to o_Clostridiales, o_Bacteroidales, and f_Rikenellaceae, and decreased abundances of g_Akkermansia in the Zn-GTE group compared to the GTE group. These findings highlight that Zn-GTE, prepared via Zn (II) supplementation to green tea, may exert distinct microbiota-modulating effects compared to its individual components. This study provides new insights into the role of dietary metal–polyphenol complexes, offering a food-based platform for studying metal–polyphenol interactions under physiologically relevant conditions. Full article

Background: There is a high demand for long-term postharvest storage of valuable perishables with high-quality preservation and minimal product loss due to decay and physiological disorders. Postharvest low-pressure storage (LPS) provides a viable option for many fruits. While recent studies have presented the details of technology, this pilot study presents the metabolomics changes due to the hypobaric storage of pomegranates as a model system. Methods: Nuclear magnetic resonance (NMR)-based metabolomics studies were performed on pomegranate fruit tissues, comparing fruit stored under LPS conditions versus the traditional storage system, with modified atmosphere packaging (MAP) as the control. The metabolomic changes in the exocarp, mesocarp, and arils were measured using ¹H NMR spectroscopy, and the results were analyzed using multivariate statistics. Results: Distinguishable differences were noted between the MAP and LPS conditions in fruit quality attributes and metabolite profiles. Sucrose levels in the aril, mesocarp, and exocarp samples were higher under LPS, while sucrose levels were reduced in MAP. In addition, alanine levels were more abundant in the mesocarp and exocarp samples, and ethanol concentration decreased in the exocarp samples, albeit less significantly. Conclusions: This pilot investigation shows the potential for using NMR as a valuable assessment tool for monitoring the performance of viable long-term storage conditions in horticultural commodities. Full article

Streptomyces sp. AWH31-250, isolated from a tidal mudflat in the Nakdong River estuary in Busan, Republic of Korea, was found to produce two novel p-aminoacetophenone derivatives, mohangic acid H (1) and mohangiol (2). Their planar structures were established by comprehensive 1D and 2D NMR spectroscopy, mass spectrometry, and UV analysis, possessing a shorter carbon-chain with a diene moiety, whereas known mohangic acids A–F bear a longer carbon-chain with a triene moiety. The absolute configurations of the key stereogenic centers were determined via computational DP4+ calculations and bioinformatic analysis of the ketoreductase domain sequence from the biosynthetic gene cluster. Based on the careful gene analysis along with whole-genome sequencing, the first plausible biosynthetic pathway of mohangic acids A–G and mohangiol was proposed. Mohangic acid H (1) and mohangiol (2) displayed moderate inhibitory activity against Candida albicans isocitrate lyase with IC₅₀ values of 21.37 and 21.12 µg/mL, respectively. Full article

In this work, we report a novel mechanochemical synthesis method for the synthesis of quinoxaline derivatives—a spiral gas–solid two-phase flow approach, which enables the efficient preparation of quinoxaline compounds. Compared to conventional synthetic methods, this approach eliminates the need for heating or solvents while significantly reducing reaction time. The structures of the synthesized compounds were characterized using nuclear magnetic resonance (NMR), Fourier-transform infrared spectroscopy (FT-IR), ultraviolet-visible (UV–Vis) absorption spectroscopy, powder X-ray diffraction (XRD), differential scanning calorimetry (DSC), and high-performance liquid chromatography (HPLC). Using the synthesis of 2,3-diphenylquinoxaline (1) as a model reaction, the synthetic process was investigated with UV–Vis spectroscopy. The results demonstrate that when the total feed amount was 2 g with a carrier gas pressure of 0.8 MPa, the reaction completed within 2 min, achieving a yield of 93%. Furthermore, kinetic analysis of the reaction mechanism was performed by monitoring the UV–Vis spectra of the products at different time intervals. The results indicate that the synthesis of 1 follows the A4 kinetic model, which describes a two-dimensional diffusion-controlled product growth process following decelerated nucleation. Full article