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22 pages, 3441 KB  
Article
Supercritical CO2 Extraction and Tandem Mass Spectrometry of the Medicinal Plant Sagan Dalya (Rhododendron adamsii)
by Mayya P. Razgonova, Alexander M. Zakharenko and Kirill S. Golokhvast
Pharmaceuticals 2025, 18(12), 1823; https://doi.org/10.3390/ph18121823 - 28 Nov 2025
Viewed by 284
Abstract
Background: In Siberian folk medicine, Sagan-Dalya (Rhododendron adamsii Rehder) of the Ericaceae family is used as a tonic and restorative in the form of infusions and decoctions. Pharmacological studies have shown that alcoholic extracts of this plant enhance performance and have anti-inflammatory [...] Read more.
Background: In Siberian folk medicine, Sagan-Dalya (Rhododendron adamsii Rehder) of the Ericaceae family is used as a tonic and restorative in the form of infusions and decoctions. Pharmacological studies have shown that alcoholic extracts of this plant enhance performance and have anti-inflammatory and immunomodulatory effects. Rhododendron adamsii shoots accumulate essential oil (up to 1.6%), flavonoids (1.8–3.0%), tannins (up to 6.9%), phenolic carbolic acids, β-sitosterin, oleanolic and ursolic acids, simple phenolic compounds, and coumarins. Methods: Supercritical carbon dioxide extraction (SC-CO2) is the most preferred environmentally friendly and selective method for extracting these natural compounds from the plant matrix of Rh. adamsii due to their high thermolability. Tandem mass spectrometry was applied to detect chemical compounds. Mass-spectrometry (MS) analysis was performed on an ion trap equipped with an ESI source in negative and positive ion modes. The capture rate was one spectrum/s for MS and two spectrum/s for MS/MS. All experiments were repeated three times. A four-stage ion separation mode (MS/MS mode) was implemented. Results: The operative parameters and working conditions have been optimized by different pressure (100–400 bars) and temperature (31–70 °C) regimes, and CO2 flow rate (10–25 mL/min) with 1 C2H5OH as a co-solvent. The extraction time varied from 60 to 90 min. The maximum global yield of biologically active substances (BAS) from R. adamsii leaves and stems was observed under the following extraction conditions: Pressure: 350 bar, extraction temperature: 65 °C, extraction time: 1 h; the global yield of BAS was 8.5 mg/g of plant sample; the share of the co-solvent (C2H5OH) was 2%. In total, forty-nine different BAS were identified in the Rh. adamsii SC-CO2 extracts. Conclusions: The obtained results may shed new light on the scientific basis for the traditional medicinal use of Rh. adamsii leaf and stem extracts. The pharmacological contribution of the identified phytocannabinoids requires further detailed study. It is hypothesized that the excellent transdermal permeability of supercritical extracts may open new therapeutic approaches using transdermal formulations based on SC-CO2 extracts of Rh. adamsii. Full article
(This article belongs to the Special Issue Application of Supercritical Fluids in Pharmaceutical Science)
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18 pages, 1629 KB  
Article
Validated Matrix Matched Quantification of Ethyl Chloride in Postmortem Biological Samples Using HS-GC-FID: Lung as the Optimal Tissue and Temporal Detection Dynamics
by Halit Canberk Aydogan, Ali Rıza Tümer, Ramazan Akçan, Mahmut Şerif Yıldırım and Mukaddes Gürler
Toxics 2025, 13(12), 1024; https://doi.org/10.3390/toxics13121024 - 27 Nov 2025
Viewed by 354
Abstract
Ethyl chloride, a volatile anesthetic with high abuse potential, remains forensically undercharacterized postmortem. In an inhalation model (n = 30), male Wistar rats were exposed to 86,000 ppm ethyl chloride under real-time PID monitoring; blood, lung, liver and brain (plus exploratory adipose, [...] Read more.
Ethyl chloride, a volatile anesthetic with high abuse potential, remains forensically undercharacterized postmortem. In an inhalation model (n = 30), male Wistar rats were exposed to 86,000 ppm ethyl chloride under real-time PID monitoring; blood, lung, liver and brain (plus exploratory adipose, kidney, muscle) were sampled at 0, 2, 4, 6 and 12 h postmortem. A matrix-matched HS-GC-FID method was validated (Eurochem): linearity (R2 = 0.9947–0.9965), LOD 0.01–0.02 ng/μL, LOQ 0.04–0.06 ng/μL, precision RSD 3.9–5.1%, recovery 90–104%, full selectivity against common volatiles. Lung yielded the highest concentrations overall; a significant decline occurred in lung between 2 h and 4 h (Pillai’s Trace p = 0.034). Concentrations became increasingly irregular ≥6 h across tissues. Early autopsy sampling, preferably within ≤6 h, optimizes ethyl chloride detectability. The validated matrix-matched HS-GC-FID protocol provides a cost-effective, robust alternative to MS platforms for volatile screening in routine forensic practice and supports prioritizing lung for analysis. Full article
(This article belongs to the Special Issue Forensic and Post-Mortem Toxicology)
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18 pages, 5098 KB  
Article
A Novel Zeolite–Carbon Nanotube Composite Electrode for the Electrochemical Analysis of Agomelatine in Real Samples
by Katarzyna Fendrych, Wiktoria Głowacz, Joanna Smajdor-Baran and Bogusław Baś
Nanomaterials 2025, 15(23), 1781; https://doi.org/10.3390/nano15231781 - 26 Nov 2025
Viewed by 213
Abstract
This study aimed to develop and apply a novel zeolite-modified electrode (ZME), integrating Cu-exchanged zeolite Y (Cu-ZY) with a conductive carbon matrix composed of multi-walled carbon nanotubes (MWCNTs), for the sensitive and selective voltammetric determination of agomelatine (AGO), an important antidepressant, the accurate [...] Read more.
This study aimed to develop and apply a novel zeolite-modified electrode (ZME), integrating Cu-exchanged zeolite Y (Cu-ZY) with a conductive carbon matrix composed of multi-walled carbon nanotubes (MWCNTs), for the sensitive and selective voltammetric determination of agomelatine (AGO), an important antidepressant, the accurate determination of which in pharmaceutical and biological samples is critical for therapeutic monitoring and quality control. Drop-casting the Cu-ZY/MWCNTs composite onto the surface of a glassy carbon electrode (GCE) resulted in the formation of a unique sensing platform, which exhibited a significantly improved electrochemical response for the oxidation of AGO. The enhanced activity of Cu-ZY/MWCNTs-GCE, attributed to the synergistic combination of Cu-ZY and MWCNTs, was confirmed by morphological, textural, and voltammetric analyses. Differential pulse voltammetry (DPV) was utilized for the quantitative determination of AGO, with optimization performed on instrumental parameters, supporting electrolyte pH, and preconcentration time (tacc). Using the Britton–Robinson buffer (BRB) solution at pH 3.0, the Cu-ZY/MWCNTs-GCE exhibited a linear response to AGO concentrations ranging from 8.2 × 10−9–9.6 × 10−7 mol L−1 (0.002–0.23 mg L−1), achieving a detection limit (LOD) of 4.3 × 10−9 mol L−1 (1.04 µg L−1) with a preconcentration time of 60 s. The successful determination of AGO in pharmaceutical formulations, wastewater, and biological fluids, with recoveries ranging from 98.0 to 113.0%, demonstrates the effectiveness and practical applicability of the Cu-ZY/MWCNT-GCE-based voltammetric method for agomelatine analysis in complex matrices. Full article
(This article belongs to the Special Issue Electrochemical Nanosensors)
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21 pages, 1132 KB  
Article
Genotype–Phenotype Concordance and Ct-Informed Predictive Rules for Antimicrobial Resistance in Adult Patients with Complicated Urinary Tract Infections: Clinical and Stewardship Implications from the NCT06996301 Trial
by Moustafa Kardjadj, Itoe P. Priestly, Roel Chavez, DeAndre Derrick and Thomas K. Huard
Diagnostics 2025, 15(23), 2945; https://doi.org/10.3390/diagnostics15232945 - 21 Nov 2025
Cited by 1 | Viewed by 278
Abstract
Background: Rapid molecular detection of antimicrobial resistance (AMR) can shorten time to effective therapy in complicated urinary tract infections (cUTI), but the ability of gene presence and quantitative PCR signal (Ct, and ΔCt = Ct_marker − IC_Ct) to predict phenotypic non-susceptibility and clinical [...] Read more.
Background: Rapid molecular detection of antimicrobial resistance (AMR) can shorten time to effective therapy in complicated urinary tract infections (cUTI), but the ability of gene presence and quantitative PCR signal (Ct, and ΔCt = Ct_marker − IC_Ct) to predict phenotypic non-susceptibility and clinical outcomes requires rigorous evaluation. We analyzed marker-level concordance, Ct→MIC relationships, and the clinical impact pathway in the randomized NCT06996301 trial. Methods: Marker–phenotype concordance metrics (sensitivity, specificity, PPV, NPV, LR+, LR−, κ) were computed for selected marker × species strata with stable sample sizes. Mixed-effects models (log2[MIC] ~ ΔCt_marker + IC_Ct + collection_method + prior_abx + (1|site)) assessed quantitative Ct→MIC associations. ROC analyses evaluated ΔCt discrimination of phenotypic non-susceptibility. A pre-specified sensitivity analysis included smaller strata (n ≤ 20) with bootstrap 95% confidence intervals for ΔCt slopes and AUCs. Clinical analyses compared PCR-guided (n = 193) versus culture-guided (n = 169) arms for time-to-antibiotic and treatment success using adjusted logistic regression and causal mediation (time-to-antibiotic as mediator; bootstrap inference). Results: High genotype–phenotype concordance was observed for canonical markers (e.g., blaCTX-M in E. coli: sensitivity 0.94 [95% CI 0.88–0.97], specificity 0.995 [95% CI 0.990–0.998], κ ≈ 0.93). Mixed models showed modest but significant Ct→MIC associations for select markers (e.g., blaCTX-M in E. coli: ΔCt slope −0.15 [95% CI −0.27 to −0.02], p = 0.015). The sensitivity analysis (n ≤ 20 strata) confirmed consistent negative directions, with robust bootstrap CIs excluding zero for qnrS (E. coli), tetM (E. coli), blaNDM (Klebsiella), and qnrS (Proteus). ROC AUCs for ΔCt prediction of non-susceptibility ranged from 0.62 to 0.81 (95% CIs ≈ 0.47–0.97). Clinically, PCR guidance shortened median time to antibiotic initiation (20 h vs. 52 h) and increased treatment success (88.1% vs. 78.1%; adjusted OR 1.95 [95% CI 1.12–3.40], p = 0.018). Mediation analysis estimated that 63% (ACME 0.112 [95% CI 0.045–0.178], p = 0.002) of the treatment success benefit was mediated through earlier antibiotic initiation. Conclusions: Binary detection of high-impact AMR genes by multiplex PCR reliably predicts phenotypic non-susceptibility and accelerates effective therapy when integrated with stewardship workflows. Quantitative PCR (ΔCt) provides modest but reproducible information about MIC magnitude and may flag heteroresistant subpopulations. A pragmatic implementation model combining rapid PCR with conventional culture is recommended to optimize clinical benefit while retaining isolate recovery for definitive AST. Full article
(This article belongs to the Special Issue Advances in the Laboratory Diagnosis)
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24 pages, 24946 KB  
Article
Hybrid Dihydropyrimidinones Targeting AKT Signaling: Antitumor Activity in Hormone-Dependent 2D and 3D Cancer Models
by Amanda Helena Tejada, Samuel José Santos, Gabriel Tofolli Lobo, Abu-Bakr Adetayo Ariwoola, Aryel José Alves Bezerra, Giulia Rodrigues Stringhetta, Izabela Natalia Faria Gomes, Luciane Sussuchi da Silva, Rui Manuel V. Reis, Daniel D’Almeida Preto, Dennis Russowsky and Renato José Silva-Oliveira
Pharmaceutics 2025, 17(11), 1470; https://doi.org/10.3390/pharmaceutics17111470 - 14 Nov 2025
Viewed by 563
Abstract
Background/Objectives: The development of effective oncologic therapies with fewer adverse effects is often limited by the intrinsic and acquired resistance of tumor cells. Hybrid molecules, rationally designed to combine different pharmacophores, represent a promising strategy by providing synergistic effects, dose reduction, and a [...] Read more.
Background/Objectives: The development of effective oncologic therapies with fewer adverse effects is often limited by the intrinsic and acquired resistance of tumor cells. Hybrid molecules, rationally designed to combine different pharmacophores, represent a promising strategy by providing synergistic effects, dose reduction, and a lower risk of resistance. In this study, the antitumor potential and mechanisms of action of 22 novel hybrid compounds derived from xanthene and pyran scaffolds (SJ022–SJ103) were investigated. The hybrids were initially evaluated through in vitro screening in four breast, three ovarian, and two prostate cancer cell lines, followed by the selection of T-47D, OVCAR-3, and LNCaP cells for detailed assays assessing cytotoxicity, apoptosis, cell cycle distribution, DNA damage, caspase-3/7 activity, morphology, and PI3K/AKT/mTOR pathway modulation. Methods: Cytotoxicity assays were performed in the selected cell lines, while mechanistic studies included apoptosis and cell cycle analysis by flow cytometry, γH2AX detection, Western blotting for PI3K/AKT/mTOR pathway proteins, and 3D spheroid assays. Combinatorial effects with hormone therapies (tamoxifen, fulvestrant, and letrozole) and the AKT inhibitor MK2206 were evaluated. AKT silencing by esiRNA and molecular docking was performed to confirm target engagement. Results: SJ028 demonstrated broad activity across all tested cell lines, whereas SJ064 and SJ078 exhibited higher selectivity. Treatments induced apoptosis, S/G2-M arrest, and DNA damage, accompanied by decreased phospho-AKT levels and stable PI3K and mTOR expression. In 3D models, the hybrids increased caspase-3/7 activity and necrotic core expansion. Co-administration with hormone therapies resulted in synergistic effects in breast and ovarian cancer cells, reducing IC50 values by more than 50% in both parental and resistant models, while combinations with MK2206 were antagonistic across all tumor subtypes. AKT silencing abrogated cytotoxicity, and docking confirmed SJ028 binding to AKT. Conclusions: Xanthene- and pyran-based hybrids—particularly SJ028, SJ064, and SJ078—showed strong antitumor activity through apoptosis induction, cell cycle arrest, and PI3K/AKT pathway modulation. Their preserved efficacy in resistant models and synergistic interactions with hormone therapies contrasted with the antagonism observed with AKT inhibition, highlighting their potential as promising candidates for the treatment of hormone-responsive and -resistant cancers. Full article
(This article belongs to the Special Issue Innovative Drug Delivery Strategies for Targeted Cancer Immunotherapy)
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17 pages, 2687 KB  
Article
Electrochemical Sensing of Lead Ions Using Ionophore-Modified Raspberry-like Fe3O4–Au Nanostructures via Differential Pulse Voltammetry
by Giang Huong Dau, Tin Phan Nguy, Tram Thi Ngoc Do, Thanh Van Pham and Lien Thi Ngoc Truong
Polymers 2025, 17(22), 3015; https://doi.org/10.3390/polym17223015 - 13 Nov 2025
Viewed by 505
Abstract
This study presents the design and application of an electrochemical sensor for selective detection of lead ions (Pb2+) based on ionophore-modified raspberry-like Fe3O4–Au nanostructures. The material was engineered with a magnetic Fe3O4 core, coated [...] Read more.
This study presents the design and application of an electrochemical sensor for selective detection of lead ions (Pb2+) based on ionophore-modified raspberry-like Fe3O4–Au nanostructures. The material was engineered with a magnetic Fe3O4 core, coated with polyethyleneimine (PEI) to facilitate nucleation, and subsequently decorated with Au nanoparticles, providing a raspberry-like (Fe3O4@PEI@AuNPs) nanostructure with high surface area and excellent electrochemical conductivity. Surface functionalization with Lead Ionophore IV (ionophore thiol) introduced Pb2+-selective binding sites, whose presence and structural evolution were verified by TEM and Raman spectroscopy. The Fe3O4 core endowed strong magnetic properties, enabling facile manipulation and immobilization onto screen-printed carbon electrodes (SPCEs) via physical adsorption, while the Au nanoparticles enhanced electron transfer, supplied thiol-binding sites for stable ionophore anchoring, and increased the effective electroactive surface area. Operational conditions were systematically optimized, with acetate buffer (HAc/NaAc, pH 5.7) and chronoamperometric preconcentration (CA) at −1.0 V for 175 s identified as optimal for differential pulse voltammetry (DPV) measurements. Under these conditions, the sensor exhibited a linear response toward Pb2+ from 0.025 mM to 2.00 mM with superior sensitivity and reproducibility compared to conventional AuNP-modified SPCEs. Furthermore, the ionophore-modified Fe3O4–Au nanostructure-based sensor demonstrated outstanding selectivity for Pb2+ over competing heavy metal ions (Cd2+, Hg2+, Cr3+), owing to the specific coordination interaction of Lead Ionophore IV with target ions. These findings highlight the potential of raspberry-like Fe3O4@PEI@AuNP nanostructures as a robust and efficient electrochemical platform for the sensitive and selective detection of toxic heavy metal ions. Full article
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12 pages, 1632 KB  
Article
Polyethyleneimine-MOF-235 Composite-Enhanced Electrochemical Detection of Silver Nanoparticles in Cosmetics
by Shuo Duan and Huang Dai
Chemosensors 2025, 13(11), 392; https://doi.org/10.3390/chemosensors13110392 - 8 Nov 2025
Cited by 1 | Viewed by 455
Abstract
Silver nanoparticles (AgNPs) are extensively utilized in cosmetics and healthcare products, creating an urgent need for sensitive quantification methods. We report the first application of a metal–organic framework for electrochemical AgNPs sensing in cosmetic samples. A glassy carbon electrode was modified with polyethyleneimine-encapsulated [...] Read more.
Silver nanoparticles (AgNPs) are extensively utilized in cosmetics and healthcare products, creating an urgent need for sensitive quantification methods. We report the first application of a metal–organic framework for electrochemical AgNPs sensing in cosmetic samples. A glassy carbon electrode was modified with polyethyleneimine-encapsulated MOF-235 (PEI-MOF-235/GCE); the PEI layer enriches AgNPs through Ag–N coordination, whereas the high-surface-area MOF catalyzes their oxidative dissolution. Under optimized conditions (catalyst loading 1.4 µg mm−3, pH 4.3 PBS), differential-pulse voltammetry provided a linear range of 10–100 ng L−1 and a detection limit of 3.93 ng L−1 (S/N = 3). The sensor exhibited excellent stability (RSD ≤ 4.7%) and good anti-interference capability toward common aquatic ions. Compared with a standard HPLC method, recoveries in spiked cosmetic samples were 97.9–102.6%. This MOF-based strategy offers a sensitive, selective, and field-deployable platform for routine monitoring of trace AgNPs. Full article
(This article belongs to the Special Issue Advancements of Chemosensors and Biosensors in China—3rd Edition)
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16 pages, 2344 KB  
Article
Molecular Detection of Insecticide Resistance-Associated Mutations in vgsc, ace-1, and rdl Genes of Anopheles albimanus in Panama
by Chystrie A. Rigg, Andrés Cabrera, Vanessa Vásquez, Ana María Santamaría, Lorenzo Cáceres, Lisbeth A. Hurtado, Gonzalo Greif and José E. Calzada
Insects 2025, 16(11), 1115; https://doi.org/10.3390/insects16111115 - 31 Oct 2025
Viewed by 776
Abstract
This study evaluated the molecular resistance profile to insecticides and the genetic diversity of Anopheles albimanus populations from malaria endemic comarcas in Panama, a country in Mesoamerica aiming to eliminate local malaria transmission. Molecular screening was performed in 891 An. albimanus, distributed [...] Read more.
This study evaluated the molecular resistance profile to insecticides and the genetic diversity of Anopheles albimanus populations from malaria endemic comarcas in Panama, a country in Mesoamerica aiming to eliminate local malaria transmission. Molecular screening was performed in 891 An. albimanus, distributed in 162 pools, and collected between 2011 and 2023. Pools were molecularly examined to detect natural infection with Plasmodium and sequenced to assess mutations in genes (vgsc, ace-1 and rdl) associated with resistance to commonly used insecticides. A high molecular infection rate by Plasmodium vivax was detected in all comarcas throughout the study period, and P. falciparum infections were detected in the last two years (2022–2023) in the east region. Mutations associated with pyrethroids/DDT resistance (H973Y and L1014F/C) and to organophosphorus/carbamate resistance (G119S) were detected at high frequencies (50.8% and 70%, respectively) in eastern comarcas but were absent from comarcas located west of the Panama Canal. Mutations in the rdl gene, associated with resistance to cyclodienes and neonicotinoids, were also frequently present. Anopheles populations from the western side were highly homogenous, suggesting a clonal expansion, contrasting with eastern samples, which exhibited a high genetic diversity. Our study provides a valuable baseline for planning future molecular vector surveillance studies in the region. It also provides valuable information to the vector control program in Panama to guide insecticide selection for IRS. Full article
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19 pages, 9464 KB  
Article
Characterisation of SapYZUs891@Fe/Mn-MOF Provides Insight into the Selection of Temperate Phage and Nanozyme for the Rapid and Sensitive Colourimetric Detection of Viable Staphylococcus aureus in Food Products
by Wenyuan Zhou, Wenjuan Li, Yeling Han, Aiping Deng, Yajie Li, Qin Hu, Lei Yuan, Guoqiang Zhu and Zhenquan Yang
Foods 2025, 14(21), 3726; https://doi.org/10.3390/foods14213726 - 30 Oct 2025
Viewed by 505
Abstract
Although phage@nanozymes have proven to be a rapid, precise, and cost-effective method for detecting pathogens in food, the basis of phage and nanozyme selection remains poorly understood. In this study, a novel colourimetric biosensor utilising the temperate phage SapYZUs891 and an Fe/Mn-MOF nanozyme [...] Read more.
Although phage@nanozymes have proven to be a rapid, precise, and cost-effective method for detecting pathogens in food, the basis of phage and nanozyme selection remains poorly understood. In this study, a novel colourimetric biosensor utilising the temperate phage SapYZUs891 and an Fe/Mn-MOF nanozyme was constructed and assessed for its efficacy in detecting Staphylococcus aureus in food products. Notably, SapYZUs891 exhibited a high titre, broad host range, and strong pH and thermal stability. Moreover, the bimetallic Fe/Mn-MOF nanozyme exhibited an enhanced oxidase-mimicking ability, greater affinity, and a higher reaction rate. The biosensor had a detection time of 19 min, a detection limit of 69 CFU/mL, and a recovery rate between 92.52% and 121.48%, signifying its high reliability and accuracy in identifying S. aureus. This sensor distinguishes between viable and non-viable bacteria and demonstrates resistance to interferent bacterial and food compounds, likely attributable to the particular receptor-binding proteins of SapYZUs891 that bind to the teichoic acid wall on the S. aureus. These results indicated that the SapYZUs891@Fe/Mn-MOF is suitable for the rapid visual assessment of S. aureus. Moreover, the highly sensitive and specific detection system holds significant potential for extended application in on-site screening of S. aureus contamination within food processing environments. Full article
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20 pages, 8723 KB  
Article
Real-Time Speed Measurement of Moving Objects with Continuous Wave Doppler Radar Using Software-Defined Radio: Implementation and Performance Analysis
by Antonio Flores, Robin Alvarez, Pablo Lupera, Christian Tipantuña, Ricardo Llugsi and Fernando Lara
Electronics 2025, 14(21), 4225; https://doi.org/10.3390/electronics14214225 - 29 Oct 2025
Cited by 1 | Viewed by 809
Abstract
This paper presents a novel continuous-wave Doppler RADAR system for real-time speed measurement of moving objects, implemented using software-defined radio (SDR). Unlike traditional high-cost solutions typically found in research centers or specialized laboratories, this prototype offers a low-cost, compact, and easily deployable platform [...] Read more.
This paper presents a novel continuous-wave Doppler RADAR system for real-time speed measurement of moving objects, implemented using software-defined radio (SDR). Unlike traditional high-cost solutions typically found in research centers or specialized laboratories, this prototype offers a low-cost, compact, and easily deployable platform that lowers the entry barrier for experimentation and research. Operating within the 70 MHz–6 GHz range, SDR enables highly flexible signal processing; in this implementation, a 5.5 GHz carrier is selected to improve the detection precision by exploiting its reduced bandwidth for more accurate observation of frequency shifts. The carrier is modulated with a 2 kHz signal, and Doppler frequency deviations induced by object motion are processed to calculate velocity. Using a Welch spectral estimator, the system effectively reduces noise and extracts the Doppler frequency with high reliability. The prototype achieves speed measurements up to 196.36 km/h with approximately 2% error in the 0–100 km/h range, confirming its suitability for road traffic monitoring. A key innovation of this work is its single-antenna cross-polarized configuration, which simplifies hardware requirements while maintaining measurement accuracy. Furthermore, the system’s portability and open-access design make it ideal for in-vehicle applications, enabling direct deployment for automotive testing, driver-assistance research, and educational demonstrations. All design files and implementation details are openly shared, eliminating patent restrictions and encouraging adoption in low-resource academic and research environments. Full article
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15 pages, 2712 KB  
Article
Interpretable Machine Learning Identification of Dietary and Metabolic Factors for Metabolic Syndrome in Southern China: A Cross-Sectional Study
by Xi Meng, Yiting Fang, Shuaijing Zhang, Panpan Huang, Jian Wen, Jiewen Peng, Xingfen Yang, Guiyuan Ji and Wei Wu
Nutrients 2025, 17(21), 3368; https://doi.org/10.3390/nu17213368 - 27 Oct 2025
Viewed by 570
Abstract
Background: Metabolic syndrome (MetS) is a rising public health concern in Southern China, with limited evidence available on dietary and metabolic factors. This cross-sectional study employed an interpretable machine learning (ML) approach to identify factors that could inform clinical and community interventions. [...] Read more.
Background: Metabolic syndrome (MetS) is a rising public health concern in Southern China, with limited evidence available on dietary and metabolic factors. This cross-sectional study employed an interpretable machine learning (ML) approach to identify factors that could inform clinical and community interventions. Methods: Data were obtained from the Guangdong Nutrition Surveys conducted in 2015 and 2022, including sociodemographic information, lifestyle patterns, physical examinations, laboratory measurements and dietary intake information (collected via repeated 24-h dietary recalls). Potentially relevant variables were selected using the Least Absolute Shrinkage and Selection Operator (LASSO) regression and incorporated into seven ML models. Model performance was primarily assessed using the area under the receiver operating characteristic curve (AUC), and the contribution of identified features was interpreted through SHapley Additive exPlanations (SHAP). Results: This analysis included 5593 participants, of whom 1103 were classified as having MetS. After removing collinear features, the ML models retained 19 candidate variables, which were selected through LASSO regression. XGBoost achieved the best performance (AUC: 0.834; F1 score: 0.537) with a misclassification rate of 27.1%. SHAP analysis highlighted body mass index (BMI), age, and uric acid levels as major risk factors, while insoluble dietary fiber, carbohydrate and specific micronutrients exhibited protective associations. Conclusions: Machine learning identified key dietary and metabolic factors of MetS. Integrating these factors into clinical practice and public health initiatives may enhance early detection and support personalized prevention strategies for MetS in Southern China. Full article
(This article belongs to the Section Nutrition and Metabolism)
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19 pages, 1763 KB  
Article
Hypericin Photodynamic Therapy Induces Cytotoxicity and Modulates Cytokine Secretion in MCF-7 Breast Cancer Cells
by Magdalena Czarnecka-Czapczyńska, Zenon Czuba, David Aebisher, Wiktoria Mytych, Jakub Fiegler-Rudol, Rafał Wiench and Aleksandra Kawczyk-Krupka
J. Clin. Med. 2025, 14(21), 7514; https://doi.org/10.3390/jcm14217514 - 23 Oct 2025
Viewed by 700
Abstract
Background/Aim: Photodynamic therapy uses a photosensitizer and light to generate reactive oxygen species that kill tumor cells and can shift inflammatory signaling. Hypericin is a potent photosensitizer, but its immunomodulatory impact in breast cancer needs clarification. We evaluated the phototoxic and cytokine-modulating [...] Read more.
Background/Aim: Photodynamic therapy uses a photosensitizer and light to generate reactive oxygen species that kill tumor cells and can shift inflammatory signaling. Hypericin is a potent photosensitizer, but its immunomodulatory impact in breast cancer needs clarification. We evaluated the phototoxic and cytokine-modulating effects of hypericin-mediated photodynamic therapy in MCF-7 human breast adenocarcinoma cells. This study examines how HYP-PDT affects MCF-7 breast cancer cells by assessing viability and cytokine secretion to guide the development of targeted, immune-enhancing PDT protocols. Methods: MCF-7 cells were incubated with hypericin at 0, 0.125, 0.25, 0.5, or 1 μM, then exposed to light doses of 0, 1, 2, or 5 J/cm2. Viability was measured 24 h later by MTT; selected conditions were also assessed by Trypan Blue. Cell supernatants collected after sublethal treatment were analyzed for IL-6, IL-8, IL-10, and TNF-α using a multiplex immunoassay. Experiments were repeated four times. Statistical analyses followed the study’s plan for group comparisons. Results: At 1 J/cm2, MTT values did not differ from matched dark controls across hypericin concentrations. At 2 and 5 J/cm2, some conditions showed increased MTT signal relative to controls, indicating higher metabolic activity; Trypan Blue performed at 0 J/cm2 showed a concentration-dependent reduction in viability with hypericin. Hypericin-PDT decreased IL-6 and IL-8 concentrations and increased TNF-α in MCF-7 supernatants. No statistically significant changes were detected for IL-10. Conclusions: Hypericin-PDT altered inflammatory readouts in MCF-7 cells, with reductions in IL-6 and IL-8 and an increase in TNF-α, consistent with a pro-inflammatory shift. Viability results suggest condition-dependent changes in metabolic activity or survival effects that warrant confirmation with matched cell counts across all light doses. These findings support further standardized dosimetry and multi-line validation of hypericin-PDT in breast cancer models. Full article
(This article belongs to the Section Oncology)
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12 pages, 4827 KB  
Article
DFT Insights into the Adsorption of Organophosphate Pollutants on Mercaptobenzothiazole Disulfide-Modified Graphene Surfaces
by Kayim Pineda-Urbina, Gururaj Kudur Jayaprakash, Juan Pablo Mojica-Sánchez, Andrés Aparicio-Victorino, Zeferino Gómez-Sandoval, José Manuel Flores-Álvarez and Ulises Guadalupe Reyes-Leaño
Compounds 2025, 5(4), 43; https://doi.org/10.3390/compounds5040043 - 22 Oct 2025
Viewed by 336
Abstract
Organophosphate pesticides are among the most persistent and toxic contaminants in aquatic environments, requiring effective strategies for detection and remediation. In this work, density functional theory (DFT) calculations were employed to investigate the adsorption of nine representative organophosphates (glyphosate, malathion, diazinon, azinphos-methyl, fenitrothion, [...] Read more.
Organophosphate pesticides are among the most persistent and toxic contaminants in aquatic environments, requiring effective strategies for detection and remediation. In this work, density functional theory (DFT) calculations were employed to investigate the adsorption of nine representative organophosphates (glyphosate, malathion, diazinon, azinphos-methyl, fenitrothion, parathion-methyl, disulfoton, tokuthion, and ethoprophos) on mercaptobenzothiazole disulfide (MBTS) and MBTS-functionalized graphene (G–MBTS). All simulations were performed in aqueous solution using the SMD solvation model with dispersion corrections and counterpoise correction for basis set superposition error. MBTS alone displayed a range of affinities, suggesting potential selectivity across the organophosphates, with adsorption energies ranging from 0.27 to 1.05 eV, malathion being the strongest binder and glyphosate the weakest. Anchoring of MBTS to graphene was found to be highly favorable (1.26 eV), but the key advantage is producing stable adsorption platforms that promote planar orientations and ππ/dispersive interactions. But the key advantage is not stronger binding but the tuning of interfacial electronic properties: all G–MBTS–OP complexes show uniform, narrow HOMO-LUMO gaps (∼0.79 eV) and systematically larger charge redistribution. These features are expected to enhance electrochemical readout even when adsorption strength was comparable or slightly lower (0.47–0.88 eV) relative to MBTS alone. A Quantum Theory of Atoms in Molecules (QTAIM) analysis of the G–MBTS–malathion complex revealed a dual stabilization mechanism: multiple weak C–H⋯π interactions with graphene combined with stronger S⋯O and hydrogen-bonding interactions with MBTS. These results advance the molecular-level understanding of pesticide–surface interactions and highlight MBTS-functionalized graphene as a promising platform for the selective detection of organophosphates in water. Full article
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10 pages, 1294 KB  
Article
Virulence and Resistance of Pseudomonas aeruginosa Isolated from Poultry in Brazil
by Fernanda Borges Barbosa, Maria J. Pons, Joaquim Ruiz, Yolanda Sáenz, Henrik Christensen and Terezinha Knöbl
Microorganisms 2025, 13(10), 2402; https://doi.org/10.3390/microorganisms13102402 - 21 Oct 2025
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Abstract
Pseudomonas aeruginosa is an opportunistic pathogen commonly associated with infections in hospitalized and immunocompromised patients due to its virulence and antimicrobial resistance. In the poultry industry, it has been associated with hatchery mortality. This study aimed to characterize P. aeruginosa isolated from pipped [...] Read more.
Pseudomonas aeruginosa is an opportunistic pathogen commonly associated with infections in hospitalized and immunocompromised patients due to its virulence and antimicrobial resistance. In the poultry industry, it has been associated with hatchery mortality. This study aimed to characterize P. aeruginosa isolated from pipped eggs, one-day-old chicks, and broiler carcasses obtained from a slaughterhouse in São Paulo state, Brazil. Nineteen strains of P. aeruginosa were selected and their virulence genes were amplified via PCR. Clonality analysis was performed using BOX-PCR, and three strains were selected for whole-genome sequencing (WGS). All isolates carried aprA, plcH, plcN, lasA, lasB, lasI, lasR, rhlAB, and phzH. The exoA gene was detected in 73.7% of strains, while algD was present in 21.1%. The exoY and exoT genes were present in 94.7% of strains (18/19), whereas exoS was present in 47.4% (9/19). None of the isolates harbored the exoU gene. BOX-PCR and phylogenetic analyses revealed diverse clonal patterns. The sequenced strains were classified as O3 ST116, O2 ST1649, and O3 ST1744. The presence of virulence and antimicrobial resistance determinants in poultry-associated strains underscores the need for surveillance, as these isolates may represent a source for transmission of P. aeruginosa to humans. Our findings highlight the importance of monitoring P. aeruginosa within poultry production and emphasize the value of genomic approaches to understand its diversity, evolution, and public health risks. Full article
(This article belongs to the Special Issue Evolution and Spread of Drug-Resistant Pathogens)
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21 pages, 2080 KB  
Article
Assessment of the Plant Growth-Promoting Potential of Three Pseudomonas and Pantoea Isolates to Promote Pepper Growth
by Ayman F. Omar, Adil H. A. Abdelmageed, Ahmad Al-Turki, Ahmed M. Aggag, Medhat Rehan and Noha M. Abdelhameid
Agronomy 2025, 15(10), 2419; https://doi.org/10.3390/agronomy15102419 - 18 Oct 2025
Viewed by 817
Abstract
Plant growth-promoting bacteria (PGPB) have a wide range of applications in agriculture and environmental management. They act as biostimulants and biofertilizers to enhance crop quality and yields in a more sustainable way. The present research aimed at isolating three active strains from the [...] Read more.
Plant growth-promoting bacteria (PGPB) have a wide range of applications in agriculture and environmental management. They act as biostimulants and biofertilizers to enhance crop quality and yields in a more sustainable way. The present research aimed at isolating three active strains from the arid rhizosphere soil to act as biofertilizer. The plant growth-promoting features were evaluated in vitro and their implementation on pepper growth and yield were assessed and measured. Regarding IAA and ammonia production, the three designated isolates (P21, P22-1 and P58) showed patterns of high IAA production, producing 154.47 µg/mL, 155.03 µg/mL, and 188.65 µg/mL, respectively. Furthermore, considerable amounts of ammonia were detected in the supernatant of peptone water medium after 72 h of growth. Isolate P21 produced the maximum amount and generated 17.38 μmol/mL, whereas both P22-1 and P58 displayed lower amounts (15.47 and 15.92, respectively), without significant differences. P-solubilization efficacy calculated 18.7% (isolate P21), 64% (isolate P22-2), and 54% (isolate P58) when compared with un-inoculated medium. The molecular identification by 16S rRNA displayed that the three isolates belonged to Pseudomonas alkylphenolica strain P21 (PX257452), Pantoea agglomerans strain P22-1 (PX257453), and Pantoea brenneri strain P58 (PX257454). Applying the selected strains with sweet pepper in the presence of rock phosphate (RP) was assessed under greenhouse conditions. Three treatments (adding bacterial suspension at 0, 10 and 20 days after transplanting) from P21, P22-1, and P58 strains revealed that P21(3), P21(2), P22-1(3), and P58(3) treatments are considered the most promising treatments related to plant height, root length, leaf area, number of leaves per plant, leaf P-uptake, and stem P-uptake in addition to total plant P-uptake. In addition, the PCA biplot showed that MSP (mono-super phosphate), P22-1(3), and P58(3) are closely associated with high phosphorus uptake, indicating their effectiveness in enhancing phosphorus absorption by solubilizing insoluble forms. Eventually, PGPB will help the environment by improving soil fertility and structure, decreasing the need for toxic chemical fertilizers, and improving ecosystem health overall. Full article
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