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Search Results (251)

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13 pages, 691 KiB  
Article
Diet Diversity and Adherence to a Mediterranean Diet Pattern in Pregnancy Is Protective Against the Development of Early-Childhood Atopic Dermatitis
by Kristina Nadine Heye, Leonie Helen Bogl, Mari Sasaki, Remo Frei, Anna Breunig, Neeta Bühler, Christian Raphael Kahlert, Mehmet Goekkaya, Claudia Traidl-Hoffmann, Roger Lauener, CK-CARE study group and Caroline Roduit
Nutrients 2025, 17(13), 2243; https://doi.org/10.3390/nu17132243 - 7 Jul 2025
Viewed by 641
Abstract
Background/Objectives: The role of maternal diet in atopic dermatitis (AD) requires better understanding, as AD often manifests early in life and precedes other allergic diseases. We evaluated the association between maternal diet and AD up to 2 years of age. Methods: A total [...] Read more.
Background/Objectives: The role of maternal diet in atopic dermatitis (AD) requires better understanding, as AD often manifests early in life and precedes other allergic diseases. We evaluated the association between maternal diet and AD up to 2 years of age. Methods: A total of 116 mother–child dyads from the CARE birth cohort study were included. Maternal diet during pregnancy was assessed with a validated self-administered 97-item food frequency questionnaire, and dietary scores were calculated. AD was evaluated at ages 4 months, 1 year, and 2 years. The associations between maternal dietary patterns and AD were examined by logistic regression analysis adjusting for total energy intake, gender of the child, maternal antibiotic therapy during pregnancy, and history of atopic disease among both parents. Results: Of the 116 children, 27 (23.3%) developed AD by 2 years, 11 of whom (40.7%) had persistent AD within the first 2 years. AD risk was reduced with a higher Mediterranean diet score during pregnancy (upper median > 3 points versus lower median: adjusted OR 0.24, 95% CI 0.08–0.69, p = 0.009) and with greater dietary diversity, as measured by the number of items consumed (upper median > 53 items versus lower median: OR 0.19, 95% CI 0.06–0.58, p = 0.005). No association was found with macronutrients and micronutrients. Red meat consumption showed a positive association with the persistent AD phenotype (adjusted OR 5.04, 95% CI 1.47 to 31.36, p = 0.034). Conclusions: Adherence to a Mediterranean diet and a diverse diet during pregnancy may decrease the risk of developing early childhood AD. This highlights the synergistic role of nutrients in dietary patterns as they modulate immune development and disease susceptibility. Full article
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23 pages, 9082 KiB  
Article
Assessment of Vulnerability to Erosion in Amazonian Beaches
by Remo Luan Marinho Costa Pereira, Cesar Mösso and Luci Cajueiro Carneiro Pereira
Geographies 2025, 5(3), 29; https://doi.org/10.3390/geographies5030029 - 28 Jun 2025
Viewed by 260
Abstract
Erosion represents a significant global threat to coastal zones, especially beaches, which are among the most valuable coastal landforms. This study evaluates the vulnerability to coastal erosion along the Brazilian Amazon coast, focusing on eight recreational beaches. The research is based on an [...] Read more.
Erosion represents a significant global threat to coastal zones, especially beaches, which are among the most valuable coastal landforms. This study evaluates the vulnerability to coastal erosion along the Brazilian Amazon coast, focusing on eight recreational beaches. The research is based on an assessment of geological, physical, ecological, and anthropogenic indicators. Some of these indicators were proposed in this study to enhance the evaluation of vulnerability in Amazonian beaches. The analysis reveals that most of the beaches studied are highly vulnerable to erosion due to a combination of natural factors and human activities. The barrier–beach ridge, composed of unconsolidated sediments, exhibits the highest vulnerability, while low cliffs present a moderate level of risk. The study highlights that semi-urban beaches with significant infrastructure development are particularly susceptible to erosion, a problem exacerbated by unplanned land use. Conversely, rural beaches, especially those located in protected areas, show lower vulnerability due to reduced human impact and better conservation of natural ecosystems. Furthermore, the study underscores the effects of extreme climatic events, such as prolonged rainfall and high-energy waves, which can intensify erosion risks. The findings suggest that anthropogenic changes, combined with extreme climate events, significantly influence the dynamics of coastal erosion. This research emphasizes the importance of targeted management strategies that address both natural and human-induced vulnerabilities, aiming to enhance coastal resilience and sustainability for Amazonian beaches. Full article
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42 pages, 11122 KiB  
Article
Safe Electromechanical Actuation for General Aviation Aircraft: Automatic Maneuver Injection for System Identification
by Rodolfo K. Hofmann, Barzin Hosseini and Florian Holzapfel
Actuators 2025, 14(7), 310; https://doi.org/10.3390/act14070310 - 23 Jun 2025
Viewed by 392
Abstract
An electromechanical actuator system was used on a general aviation aircraft to automatically execute programmed test inputs for system identification and parameter estimation. The flight test campaign consisted of approximately 10 flight hours with over 250 carefully designed dynamic test inputs, including multisteps, [...] Read more.
An electromechanical actuator system was used on a general aviation aircraft to automatically execute programmed test inputs for system identification and parameter estimation. The flight test campaign consisted of approximately 10 flight hours with over 250 carefully designed dynamic test inputs, including multisteps, frequency sweeps, phase-optimized orthogonal multisines, and the optimal inputs for parameter estimation. This paper describes the actuator system retrofitted to the REMOS GX aircraft and the software developed for automatic maneuver injection. The design of the flight test maneuvers is discussed while considering the characteristics and the limits of the onboard actuator system. The initial parameter estimation results are used to evaluate the effectiveness of the applied methods, which is a first for a light sport aircraft. The lessons learned and the advantages of such a system with respect to manual (piloted) flight testing will be described, as will recommendations for future applications of electromechanical actuators to aircraft of this weight class. Full article
(This article belongs to the Special Issue Actuation and Robust Control Technologies for Aerospace Applications)
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29 pages, 4906 KiB  
Article
Ex Vivo Molecular Studies and In Silico Small Molecule Inhibition of Plasmodium falciparum Bromodomain Protein 1
by David O. Oladejo, Titilope M. Dokunmu, Gbolahan O. Oduselu, Daniel O. Oladejo, Olubanke O. Ogunlana and Emeka E. J. Iweala
Drugs Drug Candidates 2025, 4(3), 29; https://doi.org/10.3390/ddc4030029 - 21 Jun 2025
Viewed by 465
Abstract
Background: Malaria remains a significant global health burden, particularly in sub-Saharan Africa, accounting for high rates of illness and death. The growing resistance to frontline antimalarial therapies underscores the urgent need for novel drug targets and therapeutics. Bromodomain-containing proteins, which regulate gene expression [...] Read more.
Background: Malaria remains a significant global health burden, particularly in sub-Saharan Africa, accounting for high rates of illness and death. The growing resistance to frontline antimalarial therapies underscores the urgent need for novel drug targets and therapeutics. Bromodomain-containing proteins, which regulate gene expression through chromatin remodeling, have gained attention as potential targets. Plasmodium falciparum bromodomain protein 1 (PfBDP1), a 55 kDa nuclear protein, plays a key role in recognizing acetylated lysine residues and facilitating transcription during parasite development. Methods: This study investigated ex vivo PfBDP1 gene mutations and identified potential small molecule inhibitors using computational approaches. Malaria-positive blood samples were collected. Genomic DNA was extracted, assessed for quality, and amplified using PfBDP1-specific primers. DNA sequencing and alignment were performed to determine single-nucleotide polymorphism (SNP). Structural modeling used the PfBDP1 crystal structure (PDB ID: 7M97), and active site identification was conducted using CASTp 3.0. Virtual screening and pharmacophore modeling were performed using Pharmit and AutoDock Vina, followed by ADME/toxicity evaluations with SwissADME, OSIRIS, and Discovery Studio. GROMACS was used for 100 ns molecular dynamics simulations. Results: The malaria prevalence rate stood at 12.24%, and the sample size was 165. Sequencing results revealed conserved PfBDP1 gene sequences compared to the 3D7 reference strain. Virtual screening identified nine lead compounds with binding affinities ranging from −9.8 to −10.7 kcal/mol. Of these, CHEMBL2216838 had a binding affinity of −9.9 kcal/mol, with post-screening predictions of favorable drug-likeness (8.60), a high drug score (0.78), superior pharmacokinetics, and a low toxicity profile compared to chloroquine. Molecular dynamics simulations confirmed its stable interaction within the PfBDP1 active site. Conclusions: Overall, this study makes a significant contribution to the ongoing search for novel antimalarial drug targets by providing both molecular and computational evidence for PfBDP1 as a promising therapeutic target. The prediction of CHEMBL2216838 as a lead compound with favorable binding affinity, drug-likeness, and safety profile, surpassing those of existing drugs like chloroquine, sets the stage for preclinical validation and further structure-based drug design efforts. These findings are supported by prior experimental evidence showing significant parasite inhibition and gene suppression capability of predicted hits. Full article
(This article belongs to the Section In Silico Approaches in Drug Discovery)
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14 pages, 2172 KiB  
Article
Overexpression of CDCA2 in Diffuse Large B-Cell Lymphoma Promotes Cell Proliferation and Bortezomib Sensitivity
by Hanne Due, Asta Brogaard, Issa Ismail Issa, Maja Zimmer Jakobsen, Cathrine Sylvester, Anne Krogh Nøhr, Louiza Bohn Thomsen, Martin Kristian Thomsen, Rasmus Froberg Brøndum and Karen Dybkær
Int. J. Mol. Sci. 2025, 26(12), 5596; https://doi.org/10.3390/ijms26125596 - 11 Jun 2025
Viewed by 426
Abstract
Numerous clinical trials have attempted to improve first-line R-CHOP treatment of diffuse large B-cell lymphoma (DLBCL) through the addition or substitution of drugs. The REMoDL-B trial, testing the addition of bortezomib (RB-CHOP), revealed that ABC and molecular high-grade DLBCL patients benefit from bortezomib. [...] Read more.
Numerous clinical trials have attempted to improve first-line R-CHOP treatment of diffuse large B-cell lymphoma (DLBCL) through the addition or substitution of drugs. The REMoDL-B trial, testing the addition of bortezomib (RB-CHOP), revealed that ABC and molecular high-grade DLBCL patients benefit from bortezomib. The aim of this study was to achieve a better understanding of the bortezomib response in DLBCL through a functional investigation of clinically identified markers. A retrospective analysis of transcriptional and clinical data from the REMoDL-B trial was conducted to identify genes associated with bortezomib response, identifying CDCA2. DLBCL patients with high expression of CDCA2 had a superior survival outcome when treated with RB-CHOP in comparison to R-CHOP, whereas no difference in outcome was observed for patients with low CDCA2. Moreover, CDCA2 was found to be overexpressed in DLBCL compared to non-malignant tissue, and to have higher levels in GCB and MYC/BCL2 double-expressor patients. Functional in vitro and in vivo studies revealed that knockout of CDCA2 decreased DLBCL cell proliferation and a bortezomib dose–response analysis showed less sensitivity in CDCA2 knockout cells compared to control cells. This study shows that DLBCL patients with high CDCA2 expression benefitted from the addition of bortezomib to R-CHOP and functional studies documented a direct impact of CDCA2 on the bortezomib response in DLBCL cells. Full article
(This article belongs to the Special Issue Molecular Diagnosis and Treatment of Hematological Malignancies)
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24 pages, 1839 KiB  
Article
Relic Gravitational Waves in the Noncommutative Foliated Riemannian Quantum Gravity
by César A. Zen Vasconcellos, Peter O. Hess, José A. de Freitas Pacheco, Fridolin Weber, Remo Ruffini, Dimiter Hadjimichef, Moisés Razeira, Benno August Ludwig Bodmann, Marcelo Netz-Marzola, Geovane Naysinger, Rodrigo Fraga da Silva and João G. G. Gimenez
Universe 2025, 11(6), 179; https://doi.org/10.3390/universe11060179 - 31 May 2025
Viewed by 909
Abstract
We present a study of relic gravitational waves based on a foliated gauge field theory defined over a spacetime endowed with a noncommutative algebraic–geometric structure. As an ontological extension of general relativity—concerning manifolds, metrics, and fiber bundles—the conventional space and time coordinates, typically [...] Read more.
We present a study of relic gravitational waves based on a foliated gauge field theory defined over a spacetime endowed with a noncommutative algebraic–geometric structure. As an ontological extension of general relativity—concerning manifolds, metrics, and fiber bundles—the conventional space and time coordinates, typically treated as classical numbers, are replaced by complementary quantum dual fields. Within this framework, consistent with the Bekenstein criterion and the Hawking–Hertog multiverse conception, singularities merge into a helix-like cosmic scale factor that encodes the topological transition between the contraction and expansion phases of the universe analytically continued into the complex plane. This scale factor captures the essence of an intricate topological quantum-leap transition between two phases of the branching universe: a contraction phase preceding the now-surpassed conventional concept of a primordial singularity and a subsequent expansion phase, whose transition region is characterized by a Riemannian topological foliated structure. The present linearized formulation, based on a slight gravitational field perturbation, also reveals a high sensitivity of relic gravitational wave amplitudes to the primordial matter and energy content during the universe’s phase transition. It further predicts stochastic homogeneous distributions of gravitational wave intensities arising from the interplay of short- and long-spacetime effects within the non-commutative algebraic framework. These results align with the anticipated future observations of relic gravitational waves, expected to pervade the universe as a stochastic, homogeneous background. Full article
(This article belongs to the Section Foundations of Quantum Mechanics and Quantum Gravity)
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16 pages, 1324 KiB  
Article
Efficacy of a Low-Cost Weight-Bearing Sensitivity Incentivator After Lower Limb Surgery: A Pilot Randomised Controlled Trial
by Alessandro Manelli, Isella Carola, Fabrizio Mancini, Schiavone Nicola, Rathlef Daniel, Marina Protasoni, Andrea Brambilla and Piero Antonio Zecca
Appl. Sci. 2025, 15(10), 5784; https://doi.org/10.3390/app15105784 - 21 May 2025
Viewed by 425
Abstract
Background: Accurate partial weight-bearing (PWB) is essential for postoperative recovery after lower limb surgery, yet patients often fail to maintain load within clinically meaningful thresholds. Methods: In this pilot randomised controlled trial with 1:1 concealed allocation, 34 inpatients aged 18–85 who underwent femoral [...] Read more.
Background: Accurate partial weight-bearing (PWB) is essential for postoperative recovery after lower limb surgery, yet patients often fail to maintain load within clinically meaningful thresholds. Methods: In this pilot randomised controlled trial with 1:1 concealed allocation, 34 inpatients aged 18–85 who underwent femoral fracture fixation, hip arthroplasty, or knee arthroplasty were enrolled and followed for 14 days. Participants were randomly assigned to either standard physiotherapy or the same protocol with a low-cost tactile insole (“incentiviser”) that provides mechanical feedback when the prescribed 20% body weight (BW) load is exceeded. The primary outcome was absolute deviation from target load, with a minimal clinically important difference (MCID) of ±2 kg. Results: In total, 88% of the intervention group achieved the MCID at discharge versus 24% of controls. The between-group difference in final load error was 10.8 kg (95% CI: −15.2 to −6.4), with a large effect size (Cohen’s d = 1.71). No significant differences were found in pain (NRS) or walking distance (6MWT) between groups. Conclusions: The tactile incentiviser significantly improved PWB accuracy within 14 days, meeting MCID thresholds in most cases. Its low cost and simplicity make it promising for routine or home-based use. Limitations include the small sample, diagnosis heterogeneity, and absence of a sham control. Larger multicentre trials are needed to confirm generalisability and long-term clinical impact. Full article
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17 pages, 3855 KiB  
Article
Reduced Sulfur Diet Reshapes the Microbiome and Metabolome in Mild–Moderate Ulcerative Colitis
by Jiayu Ye, Maitreyi Raman, Lorian M. Taylor, Munazza Yousuf, Remo Panaccione, Christian Turbide, Sidhartha R. Sinha and Natasha Haskey
Int. J. Mol. Sci. 2025, 26(10), 4596; https://doi.org/10.3390/ijms26104596 - 11 May 2025
Viewed by 1158
Abstract
This pilot study investigated the effects of a reduced sulfur (RS) diet on the gut microbiome composition and fecal metabolome in individuals with remitted or active ulcerative colitis (UC). Thirteen participants maintained their habitual diet (control), while nine followed an RS diet for [...] Read more.
This pilot study investigated the effects of a reduced sulfur (RS) diet on the gut microbiome composition and fecal metabolome in individuals with remitted or active ulcerative colitis (UC). Thirteen participants maintained their habitual diet (control), while nine followed an RS diet for eight weeks (Wk8). Stool and plasma samples were collected at the baseline and Wk8. The sulfur intake decreased in the RS group (−28 g/1000 kcal) versus the control group (−1.7 g/1000 kcal; p < 0.001). The RS group exhibited a significant decrease in lipopolysaccharide-binding protein (−5280 ng/mL), while these levels increased in the control group (620 ng/mL; p < 0.05). The microbiome analysis showed an increased alpha diversity at Wk8 (p < 0.01), suggesting a microbial shift with a RS intake. The metabolic alterations indicated enhanced nitrogen disposal (increased uric acid, methyluric acid, N-acetyl-L-glutamate) and a higher energy demand (elevated ubiquinol and glucose-pyruvate). The RS diet increased beneficial microbes Collinsella stercoris, Asaccharobacter celatus, and Alistipes finegoldii, while decreasing pathobionts Eggerthella lenta and Romboutsia ilealis. Methyluric acid correlated positively with C. stercoris (β = 0.70) and negatively with E. lenta (β = −0.77) suggesting these microbes utilized this metabolite and influenced the microbiome composition. In conclusion, a RS diet promoted microbial diversity, metabolic adaptations, and reduced inflammation, highlighting its potential as a novel strategy for UC management. Full article
(This article belongs to the Special Issue Inflammatory Bowel Disease and Microbiome)
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20 pages, 2134 KiB  
Article
Diatoms of Gut Content of Crassostrea gasar (Bivalvia: Ostreidae) (Adanson, 1757) Cultivated in an Amazonian Estuary (Emboraí Velho, Northern Brazil)
by Barbara de Fátima Oliveira da Silva, Antonio Rafael Gomes de Oliveira, João Victor de Moraes Souza Pinheiro, Brenda Ribeiro Padilha da Silva, Remo Luan Marinho da Costa Pereira, Luci Cajueiro Carneiro Pereira and Rauquírio Marinho da Costa
Limnol. Rev. 2025, 25(2), 18; https://doi.org/10.3390/limnolrev25020018 - 1 May 2025
Viewed by 345
Abstract
The present study investigated the gut contents of oysters cultivated in the Emboraí Velho Estuary (Amazonian littoral), focusing on the analysis of diatoms. Analyses of the stomach contents from 60 adult individuals of the species Crassostrea gasar (Adanson, 1757) collected in the study [...] Read more.
The present study investigated the gut contents of oysters cultivated in the Emboraí Velho Estuary (Amazonian littoral), focusing on the analysis of diatoms. Analyses of the stomach contents from 60 adult individuals of the species Crassostrea gasar (Adanson, 1757) collected in the study environment were performed. Additional water samples were collected for the analysis of diatoms present in the estuary. The total number of diatom taxa identified in the estuary was 123, with 35.8% centric diatoms and 64.2% pennate diatoms. Organisms recorded in the analyzed oyster stomachs comprised 61 taxa, of which 37.7% were centric and 62.3% pennate diatoms. The relative abundance of Cymatosira belgica Grunow was 78.2% in April, 72.1% in June, 51.9% in September, and 91.8% in December in the estuary. However, in the gut content, it was 9.9% in April, 4.3% in June, 13.9% in September, and 45.1% in December. The relative abundance of C. belgica, as well as of other less abundant species, was not similar between the gut contents and the diatom species identified in the estuary. Our results indicate that cultivated oysters selectively feed on certain diatom species identified in the estuary, as the main species recorded in the gut contents were not similar to the most abundant and frequent species found in the estuary during the same months of the present study. Full article
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22 pages, 11091 KiB  
Article
Assessing Climate Change Impacts on Combined Sewer Overflows: A Modelling Perspective
by Panagiota Galiatsatou, Iraklis Nikoletos, Dimitrios Malamataris, Antigoni Zafirakou, Philippos Jacob Ganoulis, Argyro Gkatzioura, Maria Kapouniari and Anastasia Katsoulea
Climate 2025, 13(5), 82; https://doi.org/10.3390/cli13050082 - 22 Apr 2025
Viewed by 687
Abstract
The study examines the impacts of climate change on the operation and capacity of the combined sewer network in the historic center of Thessaloniki, Greece. Rainfall data from three high-resolution Regional Climate Models (RCMs), namely (a) the Cosmo climate model (CCLM), (b) the [...] Read more.
The study examines the impacts of climate change on the operation and capacity of the combined sewer network in the historic center of Thessaloniki, Greece. Rainfall data from three high-resolution Regional Climate Models (RCMs), namely (a) the Cosmo climate model (CCLM), (b) the regional atmospheric climate model (RACMO) and (c) the regional model (REMO), from the MED-CORDEX initiative with future estimations based on Representative Concentration Pathway (RCP) 4.5, are first corrected for bias based on existing measurements in the study area. Intensity–duration–frequency (IDF) curves are then constructed for future data using a temporal downscaling approach based on the scaling of the Generalized Extreme Value (GEV) distribution to derive the relationships between daily and sub-daily precipitation. Projected rainfall events associated with various return periods are subsequently developed and utilized as input parameters for the hydrologic–hydraulic model. The simulation results for each return period are compared with those of the current climate, and the projections from various RCMs are ranked according to their impact on the combined sewer network and overflow volumes. In the short term (2020–2060), the CCLM and REMO project a decrease in CSO volumes compared to current conditions, while the RACMO predicts an increase, highlighting uncertainties in short-term climate projections. In the long term (2060–2100), all models indicate a rise in combined sewer overflow volumes, with CCLM showing the most significant increase, suggesting escalating pressure on urban drainage systems due to more intense rainfall events. Based on these findings, it is essential to adopt mitigation strategies, such as nature-based solutions, to reduce peak flows within the network and alleviate the risk of flooding. Full article
(This article belongs to the Section Climate Dynamics and Modelling)
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24 pages, 1898 KiB  
Article
Winter Ecology of the Hen Harrier, Circus cyaneus: Bridging Behavioral Insights and Conservation Requirements
by Remo Probst and Renate Probst
Animals 2025, 15(7), 1057; https://doi.org/10.3390/ani15071057 - 5 Apr 2025
Viewed by 792
Abstract
The hen harrier, Circus cyaneus, is a migratory raptor that relies on open grasslands as key winter habitats in Central Europe, where it predominantly preys on common voles, Microtus arvalis. However, habitat loss due to agricultural intensification, land use change, and [...] Read more.
The hen harrier, Circus cyaneus, is a migratory raptor that relies on open grasslands as key winter habitats in Central Europe, where it predominantly preys on common voles, Microtus arvalis. However, habitat loss due to agricultural intensification, land use change, and human disturbances increasingly threatens these landscapes. Using the framework of conservation behavior, this study examines how hen harriers respond to human-induced environmental changes, how behavior-based habitat management can support conservation, and how behavioral indicators such as territoriality inform conservation planning. Based on 278 h of field observations, we analyzed space use, foraging ecology, time and energy budgets, and territoriality of wintering hen harriers. Our results indicate that non-territorial females require ~20% more energy intake than territorial females, reflecting the advantage of defending vole-rich habitats. This corresponds to an estimated daily intake of up to 8 voles for non-territorial females, compared to 4–6 voles for territorial ones. Winter territory establishment was primarily driven by vole availability, and habitat degradation due to grassland loss impaired territory formation, influencing energy allocation and conservation prospects. Our findings highlight the role of territory establishment as a quantifiable behavioral indicator for habitat quality and conservation planning. At a landscape scale, habitat alteration and loss, anthropogenic disturbances and top-down effects further shape hen harrier distribution, emphasizing the need to account for these factors in conservation strategies. Finally, we identify open research questions, especially regarding large-scale environmental pressures and cross-seasonal effects. Full article
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16 pages, 3050 KiB  
Article
Uvarinol and Dichamanetin Derived from Uvaria chamae as Potential Dual-Site Inhibitors Against PBP2a in Methicillin Resistant Staphylococcus aureus: An In Silico Study
by Emmanuel Ayodeji Agbebi, Shalom Oluwafunke Adeyemi, Adetola Ibukunoluwa Adewale, Omolara Seun Ajofoyinbo, Ezekiel Abiola Olugbogi, Oluwatoyin Mary Oyinloye, Iyadunni Adesola Anuoluwa, Timothy Oluwaseyi Agbebi, Basiru Olaitan Ajiboye and Babatunji Emmanuel Oyinloye
Pharmaceuticals 2025, 18(4), 529; https://doi.org/10.3390/ph18040529 - 4 Apr 2025
Viewed by 711
Abstract
Background/Objectives: Methicillin-resistant Staphylococcus aureus (MRSA) is one of the resistant pathogenic microorganisms that poses a global health threat due to its resistance to β-lactam antibiotics where the protein penicillin-binding protein 2a (PBP2a) plays a crucial role in its resistance. This study explores [...] Read more.
Background/Objectives: Methicillin-resistant Staphylococcus aureus (MRSA) is one of the resistant pathogenic microorganisms that poses a global health threat due to its resistance to β-lactam antibiotics where the protein penicillin-binding protein 2a (PBP2a) plays a crucial role in its resistance. This study explores the potential of phytochemicals from Uvaria chamae, a plant with known medicinal properties, to serve as dual-site inhibitors of PBP2a, targeting both the active and allosteric sites. Methods: Phytochemicals previously identified in U. chamae were subjected to molecular docking and molecular dynamics simulations to evaluate their binding affinities and stability at PBP2a’s active and allosteric sites. The compounds’ pharmacokinetic profiles were predicted in silico using SwissADME tools. Root-mean-square deviation (RMSD), radius of gyration, and binding free energy were analyzed for dynamic stability. Results: Among the evaluated compounds, Uvarinol and Dichamanetin demonstrated high binding affinities compared to the co-crystallized ligand and standard antibiotics like ceftaroline. Uvarinol exhibited the highest binding affinity at both sites, with a docking score of −14.94 kcal/mol and a predicted inhibition constant (Ki) of 0.01 nM. Molecular dynamics simulations further confirmed the robust stability of Uvarinol and Dichamanetin, as indicated by consistently lower RMSD values relative to the co-crystallized ligand. Pharmacokinetic predictions revealed favorable drug-likeness and low toxicity, although Uvarinol showed limited gastrointestinal absorption. Conclusions: Uvarinol and Dichamanetin show promise as dual-site PBP2a inhibitors, offering a novel strategy to combat MRSA resistance. Their structural and pharmacokinetic properties make them viable candidates for further development, though experimental validation and formulation optimization are necessary to overcome bioavailability challenges. Full article
(This article belongs to the Section Biopharmaceuticals)
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14 pages, 2868 KiB  
Article
Environmentally Sustainable Anode Material for Lithium-Ion Batteries Derived from Cattle Bone Waste: A Full-Cell Analysis with a LiFePO4 Cathode
by Muhammad Shajih Zafar, Pejman Salimi, Marco Ricci, Jasim Zia and Remo Proietti Zaccaria
Sustainability 2025, 17(7), 3005; https://doi.org/10.3390/su17073005 - 28 Mar 2025
Viewed by 737
Abstract
Modern society relies heavily on energy, driving global research into sustainable energy storage and conversion technologies. Concurrently, the increasing volume of waste generated by industrial and commercial activities emphasizes the need for effective waste management strategies. Carbonization emerges as a promising solution, converting [...] Read more.
Modern society relies heavily on energy, driving global research into sustainable energy storage and conversion technologies. Concurrently, the increasing volume of waste generated by industrial and commercial activities emphasizes the need for effective waste management strategies. Carbonization emerges as a promising solution, converting waste into energy and valuable end products such as biochar. This study explores an approach for valorizing bone-based food waste, presenting innovative pathways for managing the escalating issue of food waste. We investigate carbon derived from cattle bone waste, carbonized at 800 °C (CBW8), to design sustainable full-cell lithium-ion batteries (FLIBs). FLIBs featuring CBW8 as the anode material and LiFePO4 as the cathode exhibit exceptional cycling life, even at high current rates. The cell demonstrates a high specific capacity of 165 mAh g−1 at 0.5 C, maintaining stable performance over 1800 cycles at various C-rates. This work not only advances the field of sustainable energy and waste management, but also opens new avenues for eco-friendly technological applications. Full article
(This article belongs to the Special Issue Biomass Transformation and Sustainability)
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16 pages, 4614 KiB  
Article
Production and Characterization of Semi-Solid Formulations for the Delivery of the Cosmetic Peptide Palmitoyl-GHK
by Valentyn Dzyhovskyi, Federico Santamaria, Erika Marzola, Leda Montesi, Irene Donelli, Stefano Manfredini, Remo Guerrini and Elisabetta Esposito
Cosmetics 2025, 12(2), 50; https://doi.org/10.3390/cosmetics12020050 - 13 Mar 2025
Viewed by 1341
Abstract
In this study, vesicular lipid systems and semi-solid formulations for the skin application of Palmitoyl-GHK were formulated and characterized. Palmitoyl-GHK is a cosmetic peptide with anti-aging action, capable of treating the signs of skin aging by mainly stimulating collagen synthesis in the dermis. [...] Read more.
In this study, vesicular lipid systems and semi-solid formulations for the skin application of Palmitoyl-GHK were formulated and characterized. Palmitoyl-GHK is a cosmetic peptide with anti-aging action, capable of treating the signs of skin aging by mainly stimulating collagen synthesis in the dermis. The so-called “ethosomes” were evaluated as nanovesicular systems constituted of phosphatidylcholine, organized in vesicles, ethanol, and water. In addition, semi-solid systems were produced and characterized, namely an organogel based on phosphatidylcholine, isopropyl palmitate, and water, a gel based on Poloxamer 407, and the poloxamer organogel, created by combining organogel and Poloxamer gel. To make the ethosomal dispersions suitable for skin application, xanthan gum was added as a gelling agent. Studies were therefore carried out on semi-solid formulations to determine (i) the spreadability, a key factor that influences various aspects of a topical/transdermal formulation, (ii) the occlusive factor, important to guarantee good effectiveness of a dermocosmetic product, and finally, (iii) the hydrating power, to study the effect of a formulation applied to the skin. A formulation study enabled the selection of the most suitable formulations for the incorporation of the active ingredient of interest. Palmitoyl-GHK was found to be soluble both in ethosomes and in the poloxamer organogel. In vitro studies were therefore conducted to evaluate the release kinetics of Palmitoyl-GHK from the formulations, via Franz cells. The qualitative–quantitative analysis, through analytical HPLC, highlighted that the active ingredient is released more slowly from semi-solid formulations compared to vesicular systems; in particular, the presence of poloxamer allows a controlled release of the peptide. Further studies will be necessary to verify the anti-aging efficacy of formulations containing the peptide. Full article
(This article belongs to the Special Issue Feature Papers in Cosmetics in 2025)
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31 pages, 442 KiB  
Article
Recommending Actionable Strategies: A Semantic Approach to Integrating Analytical Frameworks with Decision Heuristics
by Renato Ghisellini, Remo Pareschi, Marco Pedroni and Giovanni Battista Raggi
Information 2025, 16(3), 192; https://doi.org/10.3390/info16030192 - 1 Mar 2025
Cited by 2 | Viewed by 1189
Abstract
We present a novel approach for recommending actionable strategies by integrating strategic frameworks with decision heuristics through semantic analysis. While strategy frameworks provide systematic models for assessment and planning, and decision heuristics encode experiential knowledge, these traditions have historically remained separate. Our [...] Read more.
We present a novel approach for recommending actionable strategies by integrating strategic frameworks with decision heuristics through semantic analysis. While strategy frameworks provide systematic models for assessment and planning, and decision heuristics encode experiential knowledge, these traditions have historically remained separate. Our methodology bridges this gap using advanced natural language processing (NLP), demonstrated through integrating frameworks like the 6C model with the Thirty-Six Stratagems. The approach employs vector space representations and semantic similarity calculations to map framework parameters to heuristic patterns, supported by a computational architecture that combines deep semantic processing with constrained use of Large Language Models. By processing both primary content and secondary elements (diagrams, matrices) as complementary linguistic representations, we demonstrate effectiveness through corporate strategy case studies. The methodology generalizes to various analytical frameworks and heuristic sets, culminating in a plug-and-play architecture for generating recommender systems that enable cohesive integration of strategic frameworks and decision heuristics into actionable guidance. Full article
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