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25 pages, 1244 KiB  
Article
HPLC-ESI-HRMS/MS-Based Metabolite Profiling and Bioactivity Assessment of Catharanthus roseus
by Soniya Joshi, Chen Huo, Rabin Budhathoki, Anita Gurung, Salyan Bhattarai, Khaga Raj Sharma, Ki Hyun Kim and Niranjan Parajuli
Plants 2025, 14(15), 2395; https://doi.org/10.3390/plants14152395 - 2 Aug 2025
Viewed by 123
Abstract
A comprehensive metabolic profiling of Catharanthus roseus (L.) G. Don was performed using tandem mass spectrometry, along with an evaluation of the biological activities of its various solvent extracts. Among these, the methanolic leaf extract exhibited mild radical scavenging activity, low to moderate [...] Read more.
A comprehensive metabolic profiling of Catharanthus roseus (L.) G. Don was performed using tandem mass spectrometry, along with an evaluation of the biological activities of its various solvent extracts. Among these, the methanolic leaf extract exhibited mild radical scavenging activity, low to moderate antimicrobial activity, and limited cytotoxicity in both the brine shrimp lethality assay and MTT assay against HeLa and A549 cell lines. High-performance liquid chromatography–electrospray ionization–high-resolution tandem mass spectrometry (HPLC-ESI-HRMS/MS) analysis led to the annotation of 34 metabolites, primarily alkaloids. These included 23 indole alkaloids, two fatty acids, two pentacyclic triterpenoids, one amino acid, four porphyrin derivatives, one glyceride, and one chlorin derivative. Notably, two metabolites—2,3-dihydroxypropyl 9,12,15-octadecatrienoate and (10S)-hydroxypheophorbide A—were identified for the first time in C. roseus. Furthermore, Global Natural Products Social Molecular Networking (GNPS) analysis revealed 18 additional metabolites, including epoxypheophorbide A, 11,12-dehydroursolic acid lactone, and 20-isocatharanthine. These findings highlight the diverse secondary metabolite profile of C. roseus and support its potential as a source of bioactive compounds for therapeutic development. Full article
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14 pages, 886 KiB  
Article
An Innovative Approach for Maximum Recovery of Isoflavones from Glycine max by the Design of Experiments Method
by Aleksandra Bibow, Sławomir Dresler and Marta Oleszek
Appl. Sci. 2025, 15(15), 8442; https://doi.org/10.3390/app15158442 - 30 Jul 2025
Viewed by 227
Abstract
Isoflavones are the main phenolic compounds of soybean that affect its biological activity. The quantity of these valuable compounds extracted from plant material can significantly vary, influenced by the chosen extraction method and the specific extractants employed. Moreover, in cosmetics and pharmacy, the [...] Read more.
Isoflavones are the main phenolic compounds of soybean that affect its biological activity. The quantity of these valuable compounds extracted from plant material can significantly vary, influenced by the chosen extraction method and the specific extractants employed. Moreover, in cosmetics and pharmacy, the application of non-toxic, eco-friendly solvents is very important. This study aimed to develop the best mixture of extractants to maximize the recovery of individual isoflavones from soybean seeds by optimization of the proportion of three components: ethanol, water, and propanediol. The design of experiments (DOE) method was strategically employed. The extracts were obtained through accelerated solvent extraction and meticulously analyzed for isoflavone content using advanced electrospray ionization–time of flight–mass spectrometry (ESI-TOF-MS) profiling. The predominant isoflavones were daidzin, genistin, malonylgenistin, malonyldaidzin, and malonylglycitin. Our experiment demonstrated that employing three extractants in a balanced 1:1:1 v/v/v ratio resulted in the highest isolation of isoflavones compared to all other mixtures tested. Nevertheless, a detailed exploration of approximate values and utility profiles revealed a more effective composition for extraction efficiency. This optimal mixture features 32.8% ethanol, 39.2% water, and 27.8% propanediol, maximizing the yield of isoflavones from soybean seeds. The innovative use of mixture design and triangular response surfaces has proven to be a powerful approach for developing this superior three-component extraction mixture. This innovative approach not only enhances extraction efficiency but also paves the way for improved processing methods in the industry. Full article
(This article belongs to the Special Issue Advanced Phytochemistry and Its Applications)
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18 pages, 1425 KiB  
Article
Blackberry (Rubus spp. Xavante Cultivar) Oil-Loaded PCL Nanocapsules: Sustainable Bioactive for In Vitro Collagen-Boosting Skincare
by Daniela F. Maluf, Brenda A. Lopes, Mariana D. Miranda, Luana C. Teixeira, Ana P. Horacio, Amanda Jansen, Madeline S. Correa, Guilherme dos Anjos Camargo, Jessica Mendes Nadal, Jane Manfron, Patrícia M. Döll-Boscardin and Paulo Vitor Farago
Cosmetics 2025, 12(4), 159; https://doi.org/10.3390/cosmetics12040159 - 25 Jul 2025
Viewed by 375
Abstract
Background: Blackberry seed oil (BSO), obtained from Rubus spp. Xavante cultivar via supercritical CO2 extraction, contains bioactive lipids and antioxidants, but its cosmetic application is limited by poor solubility and stability. Nanoencapsulation with poly(ε-caprolactone) (PCL) can overcome these limitations. Methods: BSO was [...] Read more.
Background: Blackberry seed oil (BSO), obtained from Rubus spp. Xavante cultivar via supercritical CO2 extraction, contains bioactive lipids and antioxidants, but its cosmetic application is limited by poor solubility and stability. Nanoencapsulation with poly(ε-caprolactone) (PCL) can overcome these limitations. Methods: BSO was characterized by Ultra-High-Performance Liquid Chromatography coupled with electrospray ionization quadrupole time-of-flight mass spectrometry and incorporated into PCL nanocapsules (NCBSO) using the preformed polymer deposition method. Physicochemical properties, stability (at 4 °C, room temperature, and 37 °C for 90 days), cytotoxicity, and collagen production were assessed in human fibroblasts. Additionally, a predictive in silico analysis using PASS Online, Molinspiration, and SEA platforms was performed to identify the bioactivities of major BSO compounds related to collagen synthesis, antioxidant potential, and anti-aging effects. Results: NCBSO showed a nanometric size of ~267 nm, low polydispersity (PDI < 0.2), negative zeta potential (−28 mV), and spherical morphology confirmed by FE-SEM. The dispersion remained stable across all tested temperatures, preserving pH and colloidal properties. In particular, BSO and NCBSO at 100 µg.mL−1 significantly enhanced in vitro collagen production by 170% and 200%, respectively, compared to untreated cells (p < 0.01). Superior bioactivity was observed for NCBSO. The in silico results support the role of key compounds in promoting collagen biosynthesis and protecting skin structure. No cytotoxic effects were achieved. Conclusions: The nanoencapsulation of BSO into PCL nanocapsules ensured formulation stability and potentiated collagen production. These findings support the potential of NCBSO as a promising candidate for future development as a collagen-boosting cosmeceutical. Full article
(This article belongs to the Special Issue Advanced Cosmetic Sciences: Sustainability in Materials and Processes)
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23 pages, 2911 KiB  
Article
Development of a Liquid Chromatography–Tandem Mass Spectrometry Method for Oxylipin Analysis and Its Application to Children’s Plasma
by Yonghan Li, Siddabasave Gowda B. Gowda, Divyavani Gowda, Atsuko Ikeda, Yu Ait Bamai, Rahel Mesfin Ketema, Reiko Kishi, Hitoshi Chiba and Shu-Ping Hui
Diagnostics 2025, 15(15), 1870; https://doi.org/10.3390/diagnostics15151870 - 25 Jul 2025
Viewed by 473
Abstract
Background/Objectives: Oxylipins, a family of oxygenated natural products derived from polyunsaturated fatty acids (PUFAs), play crucial roles in various physiological processes. Evaluating their levels in vivo helps to reveal their roles in health and disease. Because of the numerous isomers of oxylipins, it [...] Read more.
Background/Objectives: Oxylipins, a family of oxygenated natural products derived from polyunsaturated fatty acids (PUFAs), play crucial roles in various physiological processes. Evaluating their levels in vivo helps to reveal their roles in health and disease. Because of the numerous isomers of oxylipins, it is essential to develop efficient and precise analytical methods for their identification and quantification. The objective of this study is to establish a quantitative method for oxylipin analysis and its application to the assessment of oxylipins in children’s plasma, with potential implications for diagnostic use in pediatric populations. Methods: A liquid chromatography–electrospray ionization–tandem mass spectrometry method was developed to quantify 64 oxylipins and four precursor PUFAs within 36 min. The limits of quantification ranged from 0.25 to 50 pg, with most analytes showing recoveries and matrix effects between 85 and 110% and between 90 and 110%, respectively. Intra- and inter-day precision values were within 15%. The established method was applied to plasma samples from children aged 9–12 years (boys = 181; girls = 161) in Hokkaido, Japan, to assess the relation between plasma oxylipin and PUFA levels and age, sex, and body mass index. Results: There was no significant correlation between oxylipin levels and age, sex, or body mass index. However, among the PUFAs, boys had higher eicosapentaenoic acid and arachidonic acid levels than those of girls, with a significant increase in eicosapentaenoic acid levels in the overweight group compared with those in the underweight group. Conclusions: We successfully developed a simple and highly selective method for the analysis of oxylipins in preadolescent children’s plasma samples. Thus, this study provides a foundation for broader application of the developed method to different biological samples in future studies. Full article
(This article belongs to the Special Issue Recent Advances in Pediatric Laboratory Medicine)
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16 pages, 776 KiB  
Article
Phytochemical Profile and Functional Properties of the Husk of Argania spinosa (L.) Skeel
by Antonietta Cerulli, Natale Badalamenti, Francesco Sottile, Maurizio Bruno, Sonia Piacente, Vincenzo Ilardi, Rosa Tundis, Roberta Pino and Monica Rosa Loizzo
Plants 2025, 14(15), 2288; https://doi.org/10.3390/plants14152288 - 24 Jul 2025
Viewed by 250
Abstract
Due to the limited scientific exploration of Argania spinosa (L.) skeel husk, this study presents the first investigation of the metabolite profile of methanol and acetone extracts analyzed by liquid chromatography coupled with electrospray ionization and high-resolution multistage mass spectrometry (LC-ESI/HRMSMS). A total [...] Read more.
Due to the limited scientific exploration of Argania spinosa (L.) skeel husk, this study presents the first investigation of the metabolite profile of methanol and acetone extracts analyzed by liquid chromatography coupled with electrospray ionization and high-resolution multistage mass spectrometry (LC-ESI/HRMSMS). A total of 43 compounds, including hydroxycinnamic acid and flavonoid derivatives, saponins, and triterpenic acids, were identified, some of which have not been previously reported in this species. The total phenols (TPC) and flavonoids (TFC) content were spectrophotometrically determined. A multi-target approach was applied to investigate the antioxidant potential using 1,1-Diphenyl-2-picrylhydrazyl (DPPH), 2,2-azino-bis-3-ethylbenzothiazoline-6-sulphonic acid (ABTS), β-carotene bleaching, and Ferric Reducing Ability Power (FRAP) tests. Carbohydrate hydrolyzing enzymes and lipase inhibitory activities were also assessed. The acetone extract exhibited the highest TPC and TFC values, resulting in being the most active in β-carotene bleaching test with IC50 values of 26.68 and 13.82 µg/mL, after 30 and 60 min of incubation, respectively. Moreover, it was the most active against both α-glucosidase and α-amylase enzymes with IC50 values of 12.37 and 18.93 µg/mL, respectively. These results pointed out that this by-product is a rich source of bioactive phytochemicals potentially useful for prevention of type 2 diabetes and obesity. Full article
(This article belongs to the Section Phytochemistry)
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24 pages, 2320 KiB  
Article
Glucoselipid Biosurfactant Biosynthesis Operon of Rouxiella badensis DSM 100043T: Screening, Identification, and Heterologous Expression in Escherichia coli
by Andre Fahriz Perdana Harahap, Chantal Treinen, Leonardo Joaquim Van Zyl, Wesley Trevor Williams, Jürgen Conrad, Jens Pfannstiel, Iris Klaiber, Jakob Grether, Eric Hiller, Maliheh Vahidinasab, Elvio Henrique Benatto Perino, Lars Lilge, Anita Burger, Marla Trindade and Rudolf Hausmann
Microorganisms 2025, 13(7), 1664; https://doi.org/10.3390/microorganisms13071664 - 15 Jul 2025
Viewed by 406
Abstract
Rouxiella badensis DSM 100043T had been previously proven to produce a novel glucoselipid biosurfactant which has a very low critical micelle concentration (CMC) as well as very good stability against a wide range of pH, temperature, and salinity. In this study, we [...] Read more.
Rouxiella badensis DSM 100043T had been previously proven to produce a novel glucoselipid biosurfactant which has a very low critical micelle concentration (CMC) as well as very good stability against a wide range of pH, temperature, and salinity. In this study, we performed a function-based library screening from a R. badensis DSM 100043T genome library to identify responsible genes for biosynthesis of this glucoselipid. The identified open reading frames (ORFs) were cloned into several constructs in Escherichia coli for gene permutation analysis and the individual products were analyzed using high-performance thin-layer chromatography (HPTLC). Products of interest from positive expression strains were purified and analyzed by liquid chromatography/electrospray ionization tandem mass spectrometry (LC-ESI-MS/MS) and nuclear magnetic resonance (NMR) for further structure elucidation. Function-based screening of 5400 clones led to the identification of an operon containing three ORFs encoding acetyltransferase GlcA (ORF1), acyltransferase GlcB (ORF2), and phosphatase/HAD GlcC (ORF3). E. coli pCAT2, with all three ORFs, resulted in the production of identical R. badensis DSM 100043T glucosedilipid with Glu-C10:0-C12:1 as the main congener. ORF2-deletion strain E. coli pAFP1 primarily produced glucosemonolipids, with Glu-C10:0,3OH and Glu-C12:0 as the major congeners, predominantly esterified at the C-2 position of the glucose moiety. Furthermore, fed-batch bioreactor cultivation of E. coli pCAT2 using glucose as the carbon source yielded a maximum glucosedilipid titer of 2.34 g/L after 25 h of fermentation, which is 55-fold higher than that produced by batch cultivation of R. badensis DSM 100043T in the previous study. Full article
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22 pages, 3291 KiB  
Article
Matrix Interference Removal Using Fe3O4@SiO2-PSA-Based Magnetic Dispersive Solid-Phase Extraction for UPLC-MS/MS Analysis of Diazepam in Aquatic Products
by Mengqiong Yang, Guangming Mei, Daoxiang Huang, Xiaojun Zhang, Pengfei He and Si Chen
Foods 2025, 14(14), 2421; https://doi.org/10.3390/foods14142421 - 9 Jul 2025
Viewed by 298
Abstract
A sensitive method was developed for detecting diazepam residues in aquatic products using magnetic dispersive solid-phase extraction (MDSPE) coupled with ultra-performance liquid chromatography–tandem mass spectrometry (UPLC-MS/MS). Samples extracted with 1% ammonia–acetonitrile were purified using synthesized Fe3O4@SiO2-PSA nanoparticles [...] Read more.
A sensitive method was developed for detecting diazepam residues in aquatic products using magnetic dispersive solid-phase extraction (MDSPE) coupled with ultra-performance liquid chromatography–tandem mass spectrometry (UPLC-MS/MS). Samples extracted with 1% ammonia–acetonitrile were purified using synthesized Fe3O4@SiO2-PSA nanoparticles via MDSPE before UPLC-MS/MS analysis. Separation was performed on a C18 column with gradient elution using 0.1% formic acid–2 mM ammonium acetate/methanol. Detection employed positive electrospray ionization (ESI+) in multiple reaction monitoring (MRM) mode. Characterization confirmed Fe3O4@SiO2-PSA’s mesoporous structure with excellent adsorption capacity and magnetic properties. The method showed good linearity (0.1–10 μg/L, r > 0.99) with an LOD and LOQ of 0.20 μg/kg and 0.50 μg/kg, respectively. Recoveries at 0.5–15.0 µg/kg spiking levels were 74.9–109% (RSDs 1.24–11.6%). This approach provides rapid, accurate, and high-precision analysis of diazepam in aquatic products, meeting regulatory requirements. Full article
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19 pages, 1436 KiB  
Article
Development and Validation of Bioanalytical LC–MS/MS Method for Pharmacokinetic Assessment of Amoxicillin and Clavulanate in Human Plasma
by Sangyoung Lee, Da Hyun Kim, Sabin Shin, Jee Sun Min, Duk Yeon Kim, Seong Jun Jo, Ui Min Jerng and Soo Kyung Bae
Pharmaceuticals 2025, 18(7), 998; https://doi.org/10.3390/ph18070998 - 2 Jul 2025
Viewed by 503
Abstract
Background/Objectives: We developed and validated a robust and simple LC–MS/MS method for the simultaneous quantification of amoxicillin and clavulanate in human plasma relative to previously reported methods. Methods: Amoxicillin; clavulanate; and an internal standard, 4-hydroxytolbutamide, in human K2-EDTA plasma, [...] Read more.
Background/Objectives: We developed and validated a robust and simple LC–MS/MS method for the simultaneous quantification of amoxicillin and clavulanate in human plasma relative to previously reported methods. Methods: Amoxicillin; clavulanate; and an internal standard, 4-hydroxytolbutamide, in human K2-EDTA plasma, were deproteinized with acetonitrile and then subjected to back-extraction using distilled water–dichloromethane. Separation was performed on a Poroshell 120 EC-C18 column with a mobile-phase gradient comprising 0.1% aqueous formic acid and acetonitrile at a flow rate of 0.5 mL/min within 6.5 min. The negative electrospray ionization modes were utilized to monitor the transitions of m/z 363.9→223.1 (amoxicillin), m/z 198.0→135.8 (clavulanate), and m/z 285.0→185.8 (4-hydroxytolbutamide). Results/Conclusions: Calibration curves exhibited linear ranges of 10–15,000 ng/mL for amoxicillin (r ≥ 0.9945) and 20–10,000 ng/mL for clavulanate (r ≥ 0.9959). Intra- and inter-day’s coefficients of variation, indicating the precision of the assay, were ≤7.08% for amoxicillin and ≤10.7% for clavulanate, and relative errors in accuracy ranged from −1.26% to 10.9% for amoxicillin and from −4.41% to 8.73% for clavulanate. All other validation results met regulatory criteria. Partial validation in lithium–heparin, sodium–heparin, and K3-EDTA plasma confirmed applicability in multicenter or large-scale studies. This assay demonstrated itself to be environmentally friendly, as assessed by the Analytical GREEnness (AGREE) tool, and was successfully applied to a clinical pharmacokinetic study of an Augmentin® IR tablet (250/125 mg). The inter-individual variabilities in clavulanate exposures (AUCt and Cmax) were significantly greater than in amoxicillin, and they may inform the clinical design of future drug–drug interaction. Full article
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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 962
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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16 pages, 6224 KiB  
Article
Proteoform Patterns in Hepatocellular Carcinoma Tissues: Aspects of Oncomarkers
by Elena Zorina, Natalia Ronzhina, Olga Legina, Nikolai Klopov, Victor Zgoda and Stanislav Naryzhny
Proteomes 2025, 13(3), 27; https://doi.org/10.3390/proteomes13030027 - 1 Jul 2025
Viewed by 435
Abstract
Background: Human proteins exist in numerous modifications—proteoforms—which are promising targets for biomarker studies. In this study, we aimed to generate comparative proteomics data, including proteoform patterns, from hepatocellular carcinoma (HCC) and nonmalignant liver tissues. Methods: To investigate protein profiles and proteoform patterns, we [...] Read more.
Background: Human proteins exist in numerous modifications—proteoforms—which are promising targets for biomarker studies. In this study, we aimed to generate comparative proteomics data, including proteoform patterns, from hepatocellular carcinoma (HCC) and nonmalignant liver tissues. Methods: To investigate protein profiles and proteoform patterns, we employed a panoramic, integrative top-down proteomics approach: two-dimensional gel electrophoresis (2DE) coupled with liquid chromatography–electrospray ionization–tandem mass spectrometry (LC-ESI-MS/MS). Results: We visualized over 2500 proteoform patterns per sample type, enabling the identification of distinct protein signatures and common patterns differentiating nonmalignant and malignant liver cells. Among these, 1270 protein patterns were uniformly observed across all samples. Additionally, 38 proteins—including pyruvate kinase PKM (KPYM), annexin A2 (ANXA2), and others—exhibited pronounced differences in proteoform patterns between nonmalignant and malignant tissues. Conclusions: Most proteoform patterns of the same protein were highly similar, with the dominant peak corresponding to theoretical (unmodified) protein parameters. However, certain proteins displayed altered proteoform patterns and additional proteoforms in cancer compared to controls. These proteins were prioritized for further characterization. Full article
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11 pages, 3387 KiB  
Article
Imprint Desorption Electrospray Ionization Mass Spectrometry Imaging (IDESI-MSI) Reveals Absorption of Triclopyr-Based Herbicide in Plants and Mouse Organs
by Hanzhi Liu, Yunshuo Tian, Ruolun Wei, Yifan Meng and Richard N. Zare
Metabolites 2025, 15(7), 437; https://doi.org/10.3390/metabo15070437 - 30 Jun 2025
Viewed by 363
Abstract
Background: Understanding the absorption and distribution of herbicides in plants and animal tissues is essential for assessing their potential risks to human health. Method: In this study, we employed imprint desorption electrospray ionization mass spectrometry imaging (IDESI-MSI) to visualize in both vegetable and [...] Read more.
Background: Understanding the absorption and distribution of herbicides in plants and animal tissues is essential for assessing their potential risks to human health. Method: In this study, we employed imprint desorption electrospray ionization mass spectrometry imaging (IDESI-MSI) to visualize in both vegetable and animal tissues the absorption of Roundup which is a widely used herbicide. Results: Using IDESI-MSI with a pixel size of 150 µm, we detected the herbicide alongside several endogenous metabolites on oil-absorbing films applied to carrot sections. Time-course experiments revealed progressive herbicide penetration into carrot tissue, with penetration depth increasing linearly over time at a rate of approximately 0.25 mm/h. In contrast, green pepper samples showed minimal herbicide infiltration, likely owing to their hydrophobic cuticle barrier. Additionally, mice fed with herbicide-treated carrots exhibited detectable levels of herbicide in liver and kidney tissues. Conclusions: These findings highlight the utility of IDESI-MSI as a powerful analytical platform for the rapid evaluation of chemical migration and absorption in food and biological systems, with important implications for food safety and toxicological research. Full article
(This article belongs to the Special Issue Mass Spectrometry Imaging and Spatial Metabolomics)
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18 pages, 4618 KiB  
Article
Lipid Profiling of Four Guava Cultivars: A Multi-Dimensional Spatial Analysis
by Qun Zhang, Xueren Cao, Yujun Ding, Chen Ma, Qiong Fan, Jia Song, Yu Rong, Di Chen, Wenjiang Dong, Xiaopeng Wu, Zhi Xu and Daizhu Lyu
Foods 2025, 14(13), 2330; https://doi.org/10.3390/foods14132330 - 30 Jun 2025
Viewed by 336
Abstract
This study aimed to reveal the lipid composition and distribution and characterize the lipid metabolism profile in the three distinct parts of four guava varieties with varying textures and colors using liquid chromatography–electrospray ionization–tandem mass spectrometry. The four varieties, collected from a guava [...] Read more.
This study aimed to reveal the lipid composition and distribution and characterize the lipid metabolism profile in the three distinct parts of four guava varieties with varying textures and colors using liquid chromatography–electrospray ionization–tandem mass spectrometry. The four varieties, collected from a guava cultivation base in Danzhou City, Hainan Province, were “Zhenzhu” (white-fleshed hard-crispy guava, YBSL), “Bendi” (white-fleshed soft-waxy guava, RBSL), “Xiguahong” (red-fleshed hard-crispy guava, YHSL), and “Hongxin” (red-fleshed soft-waxy guava, RHSL). A total of 8242 lipids were detected, which were classified into four categories and 20 subcategories. Glycerolipids and glycerophospholipids are the most abundant types of lipids in guava. The lipid composition showed significant differences between hard-crispy and soft-waxy guavas. The red-fleshed guava varieties had 98, 57, and 96 differential lipid metabolites, whereas white-fleshed varieties had 68, 108, and 41 lipid metabolites in the epicarp, mesocarp, and endocarp, respectively. Moreover, comparative analysis of hard-crispy versus soft-waxy guavas with different colors revealed common differential lipids in the epicarp (29), mesocarp (21), and endocarp (18). The common differential lipids, including phosphatidylcholine (PC) (16:0/18:1), PC (18:1/18:1), and phosphatidylethanolamine (PE) (18:1/18:2), were found to be upregulated across all fruit parts, with greater abundance in soft-waxy guavas. They were mainly enriched in metabolic pathways associated with glycerophosphocholine and glycerophosphoethanolamine. These differential lipids may serve as potential biomarkers for evaluating guava quality. This study unveiled the lipid distribution and metabolic variations among different guava varieties. It also established a scientific foundation for improving guava varieties and implementing quality control measures. Full article
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13 pages, 529 KiB  
Article
Emerging Pollutants in Chinstrap Penguins and Krill from Deception Island (South Shetland Islands, Antarctica)
by Miguel Motas, Silvia Jerez-Rodríguez, José Manuel Veiga-del-Baño, Juan José Ramos, José Oliva, Miguel Ángel Cámara, Pedro Andreo-Martínez and Simonetta Corsolini
Toxics 2025, 13(7), 549; https://doi.org/10.3390/toxics13070549 - 29 Jun 2025
Viewed by 350
Abstract
This study aimed to evaluate the presence of emerging pollutants [perfluorinated compounds, phthalates and bisphenol A (BPA)] in chinstrap penguins (Pygoscelis antarctica) and krill (Euphausia superba) from Deception Island (South Shetland Islands, Antarctica) to provide data on the occurrence [...] Read more.
This study aimed to evaluate the presence of emerging pollutants [perfluorinated compounds, phthalates and bisphenol A (BPA)] in chinstrap penguins (Pygoscelis antarctica) and krill (Euphausia superba) from Deception Island (South Shetland Islands, Antarctica) to provide data on the occurrence of emerging pollutants in Antarctica. For this purpose, thirty-four samples were studied, including four samples of adult tissue and six samples of chick tissue, as well as krill samples from the area. The selected samples were subjected to extraction processes and subsequent analytical determination of perfluorooctane sulfonate, perfluorooctanoic acid, di(2-ethylhexyl) phthalate, mono(2-ethylhexyl) phthalate and BPA using high-performance liquid chromatography coupled with electrospray ionization mass spectrometry. Our results highlight that the analyzed organic pollutants, except for BPA, are clearly present in Pygoscelis antarctica and Euphausia superba from Deception Island. Full article
(This article belongs to the Special Issue Environmental Toxicology and Risk Assessment of Priority Substances)
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29 pages, 4978 KiB  
Article
HPLC-DAD-ESI/MS and 2D-TLC Analyses of Secondary Metabolites from Selected Poplar Leaves and an Evaluation of Their Antioxidant Potential
by Loretta Pobłocka-Olech, Mirosława Krauze-Baranowska, Sylwia Godlewska and Katarzyna Kimel
Int. J. Mol. Sci. 2025, 26(13), 6189; https://doi.org/10.3390/ijms26136189 - 27 Jun 2025
Viewed by 374
Abstract
Poplar leaves (Populi folium) are a herbal remedy traditionally used for the treatment of rheumatic diseases and prostate inflammation. The aim of our study was a comprehensive identification of secondary metabolites occurring in the leaves of Populus alba, Populus × [...] Read more.
Poplar leaves (Populi folium) are a herbal remedy traditionally used for the treatment of rheumatic diseases and prostate inflammation. The aim of our study was a comprehensive identification of secondary metabolites occurring in the leaves of Populus alba, Populus × candicans, and Populus nigra, in order to search for a source of raw plant material rich in active compounds. Total salicylate (TSC), flavonoid (TFC), and phenolic compound (TPC) contents were determined, and the antioxidant potential was assessed using DPPH (2,2-diphenyl-1-picrylhydrazyl), ABTS (2,2′-azino-bis(3-ethylbenzothiazoline- 6-sulfonic acid) diammonium salt), and FRAP (ferric reducing antioxidant power) assays as well as 2D-TLC (two-dimensional thin layer chromatography) bioautography using DPPH, riboflavin-light-NBT (nitro blue tetrazolium chloride), and xanthine oxidase inhibition tests. Secondary metabolites present in the analyzed poplar leaves were identified under the developed HPLC-DAD-ESI/MS (high performance liquid chromatography with photodiode array detection and electrospray ionization mass spectrometric detection analysis conditions and using the 2D-TLC method. Among the 80 identified compounds, 13 were shown for the first time in the genus Populus. The most diverse and similar set of flavonoids characterized the leaves of P. × candicans and P. nigra, while numerous salicylic compounds were present in the leaves of P. alba and P. × candicans. All analyzed leaves are a rich source of phenolic compounds. The highest flavonoid content was found in the leaves of P. × candicans and P. nigra, while the leaves of P. alba were characterized by the highest content of salicylates. All examined poplar leaves demonstrated antioxidant potential in all the assays used, which decreased in the following order: P. nigra, P. × candicans, P. alba. Full article
(This article belongs to the Collection 30th Anniversary of IJMS: Updates and Advances in Biochemistry)
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Article
LC-MS/MS-Based Determination of Ambroxol in Human Plasma and Cerebrospinal Fluid: Validation and Applicability in a Phase II Study on GBA-Associated Parkinson’s Disease Patients
by Valentina Franco, Michela Palmisani, Fabiana Colucci, Rosa De Micco, Simone Aloisio, Federico Cazzaniga, Silvia Cerri, Francesca Crema, Francesca Dattrino, Barbara Garavaglia, Matteo Gastaldi, Pierfrancesco Mitrotti, Fabio Moda, Paola Rota, Rita Stiuso, Cristina Tassorelli, Roberto Eleopra, Alessandro Tessitore, Enza Maria Valente, Micol Avenali and Roberto Ciliaadd Show full author list remove Hide full author list
Int. J. Mol. Sci. 2025, 26(13), 6094; https://doi.org/10.3390/ijms26136094 - 25 Jun 2025
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Abstract
Heterozygous mutations in the GBA1 gene, encoding the enzyme glucocerebrosidase (GCase), are major risk factors for Parkinson’s Disease (PD). Ambroxol, a small chaperone originally used as a mucolytic agent, has been shown to cross the blood–brain barrier, enhance GCase activity, and reduce α-synuclein [...] Read more.
Heterozygous mutations in the GBA1 gene, encoding the enzyme glucocerebrosidase (GCase), are major risk factors for Parkinson’s Disease (PD). Ambroxol, a small chaperone originally used as a mucolytic agent, has been shown to cross the blood–brain barrier, enhance GCase activity, and reduce α-synuclein levels, making it a promising therapeutic candidate for disease-modifying effects in GBA1-associated PD (GBA1-PD). This study aimed to develop a method to quantify ambroxol levels in human plasma and cerebrospinal fluid (CSF) using liquid chromatography–tandem mass spectrometry (LC-MS/MS). Ambroxol was determined by online solid-phase extraction (SPE), coupled with LC-MS/MS, by gradient elution on a monolithic column. Detection employed a 3200 QTRAP tandem mass spectrometer in the positive electrospray ionization mode. Calibration curves exhibited linearity across the analyzed ranges in both plasma and CSF. The recovery rate ranged from 106.7% to 113.5% in plasma and from 99.0% to 103.0% in CSF. No significant matrix effect was observed. Intra-day and inter-day precisions were below 11.8% in both matrices, and accuracy ranged from 89.9% to 103.1% in plasma and from 96.3% to 107.8% in CSF. We evaluated and confirmed the stability of the analyte in plasma and CSF across various storage conditions. The method was successfully validated according to European Medicine Agency (EMA) guidelines and its applicability was confirmed in the context of a multicenter, randomized, double-blind, placebo-controlled, phase II study, designed to monitor the ambroxol levels in the plasma and CSF of GBA1-PD. Full article
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