Molecules最新文献

Synthetic cannabinoids (SCs) represent one of the rapidly growing groups of new psychoactive substances (NPS) on the illicit drug market. SCs mimic the effects of Δ⁹-tetrahydrocannabinol, but they have a greater affinity to the receptors, resulting in more potent psychoactive effects than traditional substances. The toxicity and high abuse potential of SCs could pose serious health risks to their users. The challenges posed by the SCs require innovative monitoring strategies like the analysis of untreated wastewater, known as wastewater-based epidemiology (WBE). In this review article, we summarized the available literature on the detection and quantification of SCs in raw wastewater samples published between 2013 and 2025. We paid special attention to challenges related to different experimental stages of WBE analysis that hinder the accurate measurement of SCs and their metabolites. The reviewed studies show that wastewater analysis reflected the dynamic evolution of the illicit SCs market. As studies on the analysis of SCs in wastewater remain scarce, large monitoring campaigns and research performed in more locations are needed. Modern analytical hyphenated systems such as LC-MS are essential for the sensitive and accurate quantification of SC biomarkers in wastewater and their sound identification. Future studies should address further stability tests, investigation of SC metabolism, and careful selection of the effective SC extraction method from the complex environmental matrix.

Cholesterol plays a fundamental role in the human body-it stabilizes cell membranes, modulates gene expression, and is a precursor to steroid hormones, vitamin D, and bile salts. Its correct level is crucial for homeostasis, while both excess and deficiency are associated with serious metabolic and health consequences. Excessive accumulation of cholesterol leads to the development of atherosclerosis, while its deficiency disrupts the transport of fat-soluble vitamins. Magnetic resonance spectroscopy (MRS) enables the detection of cholesterol esters and the differentiation between their liquid and crystalline phases, but the technical limitations of clinical MRI systems require the use of dedicated coils and sequence modifications. This study demonstrates the feasibility of using MRS to identify cholesterol-specific spectral signatures in atherosclerotic plaque through ex vivo analysis. Using a custom-designed experimental coil adapted for small-volume samples, we successfully detected characteristic cholesterol peaks from plaque material dissolved in chloroform, with spectral signatures corresponding to established NMR databases. To further enhance spectral quality, a deep-learning denoising framework based on a 1D U-Net architecture was implemented, enabling the recovery of low-intensity cholesterol peaks that would otherwise be obscured by noise. The trained U-Net was applied to experimental MRS data from atherosclerotic plaques, where it significantly outperformed traditional denoising methods (Gaussian, Savitzky-Golay, wavelet, median) across six quantitative metrics (SNR, PSNR, SSIM, RMSE, MAE, correlation), enhancing low-amplitude cholesteryl ester detection. This approach substantially improved signal clarity and the interpretability of cholesterol-related resonances, supporting more accurate downstream spectral assessment. The integration of MRS with NMR-based lipidomic analysis, which allows the identification of lipid signatures associated with plaque progression and destabilization, is becoming increasingly important. At the same time, the development of high-resolution techniques such as μOCT provides evidence for the presence of cholesterol crystals and their potential involvement in the destabilization of atherosclerotic lesions. In summary, nanotechnology-assisted MRI has the potential to become an advanced tool in the proof-of-concept of atherosclerosis, enabling not only the identification of cholesterol and its derivatives, but also the monitoring of treatment efficacy. However, further clinical studies are necessary to confirm the practical usefulness of these solutions and their prognostic value in assessing cardiovascular risk.

The maritime transport sector's reliance on fossil-based fuels remains a major contributor to global greenhouse gas emissions, underscoring the urgent need for sustainable alternatives such as marine biofuels. Thermochemical pyrolysis of biomass and plastic waste represents a promising route for producing renewable and recycled marine fuel feedstocks. This review provides an integrated analysis of the full production and upgrading chain, encompassing pyrolysis of lignocellulosic biomass and polymer-derived resources, catalytic upgrading, and qualitative evaluation of product distribution and yield trends. Particular emphasis is placed on montmorillonite-based catalysts as naturally abundant, low-cost, and environmentally benign alternatives to conventional zeolites. The review systematically examines the influence of key montmorillonite modification strategies, including acid activation, pillaring, and ion-exchanged, on acidity, textural properties, and catalytic performance in catalytic cracking and hydrodeoxygenation processes. The analysis shows that catalyst modification strongly governs the yield, selectivity, and reproducibility of biofuels. By adopting this integrated perspective, the review extends beyond existing works focused on isolated upgrading steps or zeolitic catalysts. Key research gaps are identified, particularly regarding long-term catalyst stability, deep deoxygenation of real bio-oils, and compliance with marine fuel standards.

Germination is widely recognized as an effective strategy to enhance the nutritional quality and reduce anti-nutritional factors in plant foods. This study evaluated the impact of germination on Cruciferous vegetables (family Cruciferae or Brassicaceae) broccoli and kale by assessing changes in proximate composition, macro- and microelement profiles, total and individual polyphenols, phytic acid content, antimicrobial activity, and structural characteristics using Fourier Transform Infrared Spectroscopy (FTIR) and Small- and Wide-Angle X-ray Scattering (SAXS/WAXS) analyses. Germination significantly increased protein content (30.33% in broccoli sprouts and 30.21% in kale sprouts), total phenolic content (424.40 mg/100 g in broccoli sprouts and 497.94 mg/100 g in kale sprouts), and essential minerals, while reducing phytic acid levels in both species (up to 82.20%). Antimicrobial effects were matrix-dependent, being detected in broccoli and kale seed powders, while no inhibitory activity was observed for the corresponding sprout powders under the tested conditions. FTIR spectra indicated notable modifications in functional groups related to carbohydrates, proteins, and phenolic compounds, while SAXS analysis revealed structural reorganizations at the nanoscale. Overall, germination improved the nutritional and phytochemical quality of broccoli and kale while decreasing anti-nutritional compounds, highlighting its potential to enhance the health-promoting value of Brassica sprouts.

Carotenoids are a diverse group of isoprenoid compounds found in nature. As natural pigments and bioactive compounds, carotenoids are used in various industries as functional additives. The increasing knowledge about the disadvantages of synthetic carotenoid production has drawn attention to the potential of carotenogenic yeasts and the use of food industry waste. This study analyzed the potential of post-fermentation waste from fermented quinoa production as a culture medium. For this purpose, reference yeast strains and strains isolated from various environments were used. The C:N ratio in the waste used was determined, and then the yeast was cultured in waste medium with the isolated strains and in a mixed culture with L. plantarum, using three culture variants. In subsequent stages, carotenoid powder was produced, and the carotenoid content, antioxidant capacity, and FTIR spectrum distribution were determined. The studies confirmed the possibility of using plant ferments as culture media. The extraction of powder enabled the concentration of carotenoids, obtaining the highest total fraction of carotenoids (TFC) for strains R-1 (2.85 mg/g d.w.) and R-2 (3.05 mg/g d.w.). FTIR spectra confirmed the presence of functional groups found in β-carotene standards in the resulting powders. At the same time, the obtained formulate exhibited bioactive properties by binding DPPH oxygen free radicals at a level of 66.80-78.05%.

This research aimed to assess the effect of chitosan nanoparticles (ChNPs) during in vitro shoot proliferation of vanilla using temporary immersion bioreactors (TIB). TIB culture is a biotechnological process that uses semiautomated containers for the production of explants exposed in liquid culture medium. Concentrations of control, 25, 50, 100, 200, and 400 mg/L ChNPs were evaluated in Murashige and Skoog culture medium. Morphological characterization of ChNPs was performed using scanning electron microscopy. At 60 days of culture, survival (%), development variables, photosynthetic pigment content, lipid peroxidation expressed in malondialdehyde, total phenolic content (TPC), hydrogen peroxide (H₂O₂) content, and total antioxidant capacity (TAC) expressed in trolox equivalents were evaluated. The data were analyzed with analysis of variance, with a Tukey test (p ≤ 0.05) using SPSS statistics software, version 29. The results revealed that the greatest survival (%) was obtained at concentrations of control, 25, and 50 mg/L ChNPs, while the lowest survival (%) was observed at concentrations of 400 mg/L ChNPs. Growth stimulation was found, as well as an increase in chlorophyll and β-carotene at concentrations of 25 and 50 mg/L ChNPs. The level of H₂O₂ increased at 25 and 50 mg/L ChNPs. Lipid peroxidation showed no differences among treatments. TPC increased at 100 and 200 mg/L ChNPs, while TAC increased at 200 and 400 mg/L ChNPs. In conclusion, the administration of ChNPs at low concentrations can stimulate growth, while at high concentrations they can inhibit it, a response known as hormesis or hormetic effect.

Non-alcoholic fatty liver disease (NAFLD), often associated with obesity, has become a serious public health matter. NAFLD is characterized by an excessive lipid accumulation in hepatocytes, mainly stored as triglycerides. The marine microalga Phaeodactylum tricornutum is well known for its richness of bioactive compounds, particularly lipids. Therefore, different natural lipid extracts from P. tricornutum are deciphered to jugulate or prevent obesity leading to NAFLD. In this study, the main focus was on the effects of purified neutral and polar lipid extracts from P. tricornutum in a cellular model of NAFLD. Human HepG2 cells were used and exposed for 24 h to 250 μM palmitate to induce NAFLD with or without microalgal lipid extracts. Data showed that neutral lipid extract presented lower viability and cytotoxic activities on HepG2 at 75 µg/mL. The impact on apoptosis was around 5% and below the threshold. Nevertheless, the use of neutral lipid at 50 µg/mL induced a decrease in the number and size of lipid droplets, and so, preventing NAFLD. On the contrary, the polar lipid extract had no effect on the accumulation of triglycerides in HepG2 cells. To conclude, neutral lipid extract seemed to be a good candidate to prevent NAFLD.

Microbial resistance to antibiotics necessitates the development of alternative treatments to address the challenges posed by severe bacterial infections. Bacteriophages are regaining clinical relevance, but the effectiveness of phage therapy depends directly on the route of administration and the carrier used. This review provides a critical overview of the therapeutic potential of phages, emphasizing different strategies for delivery to the site of infection. We focus on the preclinical and clinical data on phage therapies using various routes of administration, such as oral, intravenous, inhalation, topical, and local administration to joints and bones. In view of different phage formulations, including liquid suspension, phages immobilized in polymers or liposome-based carriers, we highlight the potential challenges and obstacles that may affect phage stability and bioavailability and limit the successful outcome of therapy. This review serves to enhance the understanding of the integration of materials engineering with clinical practice and production standardization, to address these issues. Additionally, a clear knowledge of the bacteriophage and pharmacokinetics of phage preparations is necessary to implement safe and efficacious bacteriophage treatment in the era of antimicrobial resistance.

The continuous emergence of SARS-CoV-2 variants, especially the Omicron strain with its heightened transmissibility, has posed ongoing challenges to the efficacy of existing vaccine and drug regimens. This situation highlights the pressing demand for antiviral drugs employing novel mechanisms of action. Pentacyclic triterpenoids (PTs), a structurally varied group of compounds derived from plants, exhibit both antiviral and anti-inflammatory activities, making them attractive candidates for further therapeutic development. These natural products, along with their saponin derivatives, show broad-spectrum inhibitory effects against multiple SARS-CoV-2 variants (from Alpha to Omicron) via interactions with multiple targets, such as the spike protein, main protease (Mpro), RNA-dependent RNA polymerase (RdRp), and inflammatory signaling pathways. This review consolidates recent findings on PTs and their saponins, emphasizing their influence on the key structural features required for inhibiting viral attachment, membrane fusion, reverse transcription, and protease function. We systematically summarized the structure-activity relationships and their antiviral results of PTs based on different target proteins in existing studies. Furthermore, this work points toward new strategies for designing multi-target PT-based inhibitors with improved efficacy against Omicron and future variants.

This study evaluates the chemical profile and antifungal efficacy of essential oils from Piper glabratum, Piper friedrichsthalii, and Piper cumanense against the cocoa pathogens Moniliophthora roreri and Phytophthora palmivora. Microwave-assisted hydrodistillation followed by GC-MS analysis identified 80 constituents, predominantly monoterpenes and sesquiterpenes, which exhibited significant mycelial inhibition comparable to commercial fungicides. Beyond basic characterization, a comprehensive chemoinformatic analysis was conducted to elucidate the molecular mechanisms driving this bioactivity. The computed physicochemical landscape reveals a dominant lipophilic profile (average LogP 3.4) and low polarity (TPSA 11.5 Ų), characteristics essential for effective fungal membrane penetration. Structural mining identified conserved benzene and cyclohexene scaffolds alongside specific 1,3-benzodioxole moieties, while Maximum Common Substructure (MCS) analysis uncovered high similarity clusters among phenylpropanoids and sesquiterpenes. These findings suggest a synergistic mode of action where conserved structural backbones and interchangeable diastereomers facilitate membrane destabilization and ion leakage. Consequently, the integrative chemoinformatic profiling elucidates the molecular basis of this efficacy, positioning these Piper essential oils not merely as empirical alternatives, but as sources of rationally defined synergistic scaffolds for next-generation sustainable fungicides.