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The widespread use of the pesticide glyphosate has raised concerns regarding its potential health and environmental impacts. Consequently, there is an increasing demand for monitoring glyphosate levels in surface waters and food products. Currently, there is no commercially available rapid, field-deployable sensor capable of quantifying glyphosate concentrations in environmental samples. This study presents the development of a biosensor based on laser-induced graphene (LIG) that is functionalized with transition metal dichalcogenides (TMDs) and the enzyme glycine oxidase. The LIG is created through a scalable process using a CO 2 laser to convert polyimide into a porous, nano/microstructured graphene architecture. The high surface area of LIG acts as a conductive scaffold for subsequent functionalization of both molybdenum disulfide (MoS 2 ) and molybdenum diselenide (MoSe 2 ) to further improve the electroactive surface area of the electrode. The resultant sensors, functionalizesd with the enzyme, demonstrate linear sensing ranges from 10 to 90 μM for glyphosate with detection limits of 4.0 and 6.1 μM for LIG electrodes modified with MoS 2 and MoSe 2 , respectively. Furthermore, the sensors detect glyphosphate at negative working potentials, helping to minimize interference from endogeneous electroactive species and to provide consistent glyphosphate monitoring in actual food products (i.e., soybeans and pinto beans). Overall, the biosensors integrate scalable manufacturing with cost-effective TMDs and LIG, eliminating the need for costly noble metals in the biosensor design, and offering a reliable method for assessing glyphosate in food products.

Water scarcity in the Mediterranean area has increased the number of intermittent rivers, whose flow ceases either occasionally or totally. Key elements to characterize their dynamics are water quality, hydrological, and ecological status, when wastewater effluents dominate flow. Regarding water quality, pharmaceuticals are major pollutants, and serve as indicators of wastewater presence. Intermittent rivers are biodiversity hotspots where their hydrological regime may suffer alterations associated with wastewater effluents, making them harder to characterize than perennial streams. This study aimed to integratively characterize intermittent rivers through chemical, ecological and hydrological status calculating respective indices in twenty Mediterranean intermittent wastewater-impacted rivers located in Spain, France, Italy, Algeria and Tunisia. Pharmaceuticals were used as indicators assessing their frequency of PNEC exceedance and detection; while two ecological indicators and one hydrological indicator were used to evaluate wastewater stress on catchments. All indicators displayed a noticeable decline from upper to lower parts of the rivers, proving the effect of anthropogenic stressors on the aquatic environment. The Tunisian catchment displayed the most compromised conditions across all indicators, and the Algerian site even though low concentrations were detected, five compounds exceeded PNEC thresholds. This highlights the need for increased dedication and the adoption of water pollution solutions., Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 The Authors. Published by Elsevier B.V. All rights reserved.)

The growing usage of glucocorticoids for a variety of diseases raises concerns since these drugs, including the anti-inflammatory dexamethasone (DEX), are frequently found in the environment. The impact of DEX was evaluated on mussels Mytilus galloprovincialis (Lamarck, 1819) by exposure to environmental concentrations (C1: 4 ng/L; C2: 40 ng/L; C3: 400 ng/L; C4: 2000 ng/L), and sampling at 3 (T3), 6 (T6), and 12 (T12) days. A multi-biomarker approach was applied on gills, involved in gas exchange, feed filtering, and osmoregulation. A dose- and time-dependent uptake of DEX was recorded, besides haemocyte infiltration, increased neutral and acid mucopolysaccharides, and a general pro-oxidant effect witnessed by lipid peroxidation and altered antioxidant system. Metabolomics revealed rise in protein turnover and energy demand by fluctuations in free amino acids (alanine, glycine) and energy-related metabolites (succinate, ATP/ADP). It is necessary to reduce DEX dosage from the environment by recovery strategies and effective eco-pharmacovigilance programs., Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 The Authors. Published by Elsevier B.V. All rights reserved.)

Endocrine-disrupting chemicals (EDCs) are a growing health hazard for humankind and respiratory health in particular. Such chemical compounds are present in the environment and food and may interfere with physiological processes through interference with functions of the endocrine system, making humans more susceptible to various types of diseases. This review aims to discuss the effects of EDCs on the respiratory system. Exposure to EDCs during fetal development and adulthood increases susceptibility to respiratory diseases such as asthma, COPD, and pulmonary fibrosis. EDCs are both multiple and complex in the ways they can act. Indeed, these chemicals may induce oxidative stress, modify cell proliferation and differentiation, interfere with tissue repair, and modulate the inflammatory response. Moreover, EDCs may also break the integrity of the blood-air barrier, allowing noxious substances to penetrate into the lung and thus enhancing the opportunity for infection. In conclusion, the scientific evidence available tends to indicate that EDCs exposure is strongly linked to the initiation of respiratory disease. Further research will be important in discovering the underlying molecular mechanisms and devising preventive and therapeutic measures.

Rapid evaporative ionization mass spectrometry (REIMS) coupled with a monopolar handpiece used for surgical resection and combined with chemometrics has been previously explored by our research group (Mangraviti et al. in Int J Mol Sci 23(18):10562, 2022) to identify several mammary gland pathologies. Here, the increased sample size allowed the construction of three statistical models to distinguish between benign and malignant canine mammary tumours (CMTs), facilitating a more in-depth investigation of changes in cellular metabolic phenotype during neoplastic transformation and biological behaviour. The results demonstrate that REIMS is effective in identifying neoplastic tissues with an accuracy of 97%, with differences in MS spectra characterized by the relative abundance of phospholipids compared to triglycerides more commonly identified in normal mammary glands. The increased rate of phospholipid synthesis represents an informative feature for tumour recognition, with phosphatidylcholine and phosphatidylethanolamine, the two major phospholipid species identified here together with sphingolipids, playing a crucial role in carcinogenesis. REIMS technology allowed the classification of different histotypes of benign CMTs with an accuracy score of 95%, distinguishing them from normal glands based on the increase in sphingolipids, glycolipids, phospholipids, and arachidonic acid, demonstrating the close association between cancer and inflammation. Finally, dysregulation of fatty acid metabolism with increased signalling for saturated, mono- and polyunsaturated fatty acids characterized the metabolic phenotype of neoplastic cells and their malignant transformation, supporting the increased formation of new organelles for cell division. Further investigations on a more significant number of tumour histotypes will allow for the creation of a more extensive database and lay the basis for how understanding metabolic alterations in the tumour microenvironment can improve surgical precision., Competing Interests: Declarations Ethics approval and consent to participate The biological tissue samples used in this study were submitted or collected for diagnostic purposes, and when submitting the samples, clinicians and owners signed an informed consent statement to use the samples for research. In compliance with Directive 2010/63/EU of the European Parliament on the protection of animals used for scientific purposes, Italian law (Legislative Decree no. 26/2014) does not require the approval of an ethics committees for the use of samples submitted or collected for diagnostic purposes. Competing interests The authors declare no competing interests., (© 2024. The Author(s), under exclusive licence to Springer-Verlag GmbH, DE part of Springer Nature.)

A small series of arylsulfonamide derivatives was designed and synthesized to study linear and cyclic inhibitors targeting human Carbonic Anhydrases (hCAs EC 4.2.1.1) as essential enzymes regulating (patho)-physiological processes. Particularly, the synthesis of these ten compounds was inspired to the well-known arylsulfonamides having flexible or constrained linkers able to maintain the two crucial moieties, anchoring zinc group and hydrophobic tail, in the optimized orientation within CA cavities of tumor-expressed isoforms hCA IX and hCA XII. The synthesized imine derivatives and related cyclic 1,3-thiazin-4-ones were screened in a stopped-flow carbon dioxide hydrase assay and proved to be effective inhibitors against hCA IX and hCA XII isoforms with K i values ranging of 3.7-215.7 nM and 5.7-415.0 nM, respectively. Molecular docking studies of both series of arylsulfonamides were conducted to propose their binding mode within hCA IX and hCA XII active sites thus highlighting their distinct ability to occupy the two catalytic cavities. Moreover, the 4-[(3-cyanophenyl)methylidene]aminobenzene-1-sulfonamide 7 proved to reduce the cell viability of breast carcinoma (MCF-7) and colon rectal carcinoma (HCT-116) human cell lines under the fixed doses of 10 μM. These results encouraged us to continue our efforts in developing potent and efficient arylsulfonamides targeting hCA IX and hCA XII isoforms., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 Elsevier Ltd. All rights reserved.)

Since the mid-1990s, scientists have been generating mouse models of Alzheimer's disease to elucidate key mechanisms underlying the onset and progression of the disease and aid in developing potential therapeutic approaches. The first successful mouse model of Alzheimer's disease was reported in 1995 with the generation of the PDAPP mice, which were obtained by the overexpression of gene coding for the amyloid precursor protein (APP). Since then, scientists have used different approaches to develop other APP overexpression mice, mice overexpressing tau, or a combination of them. More recently, Saito and colleagues generated a mouse model by knocking in mutations associated with familial Alzheimer's disease into the APP gene. In this review, we will describe the most used animal models and provide a practical guide for the disease's age of onset and progression. We believe that this guide will be valuable for the planning and experimental design of studies utilizing these mouse models.

Wastewater treatment plant (WWTP) discharges are major contributors to the release of microplastics (MPs) into the environment. This research work aimed to assess the performance of the novel living membrane bioreactor (LMBR), which utilizes a biological layer as a membrane filter for the removal of polyethylene (PE) MPs from wastewater. The impact of an intermittently applied low current density (0.5 mA/cm 2 ) on the reduction of MPs in the electrochemically enhanced LMBR (e-LMBR) has also been examined. The reactors were also compared to a conventional membrane bioreactor (MBR) and an electro-MBR (e-MBR). 1 H nuclear magnetic resonance spectroscopy ( 1 H NMR) was implemented for the MPs detection and quantification in terms of mass per volume of sample. The LMBR and MBR achieved comparable mean PE MPs reduction at 95% and 96%, respectively. The MPs mass reduction in the e-LMBR slightly decreased by 2% compared to that achieved in the LMBR. This potentially indicated the partial breakdown of the MPs due to electrochemical processes. Decreasing and inconsistent NH 4 -N and PO 4 -P removal efficiencies were observed over time due to the addition of PE MPs in the MBR and LMBR. In contrast, the integration of electric field in the e-MBR and e-LMBR resulted in consistently high values of conventional contaminant removals of COD (99.72-99.77 %), NH 4 -N (97.96-98.67%), and PO 4 -P (98.44-100.00%), despite the MPs accumulation. Integrating electrochemical processes in the e-LMBR led to the development of a stable living membrane (LM) layer, as manifested in the consistently low effluent turbidity 0.49 ± 0.33 NTU. Despite the increasing MPs concentration in the mixed liquor, applying electrochemical processes reduced the fouling rates in the e-LMBR. The e-LMBR achieved comparable efficiencies in contaminant reductions as those observed in the e-MBR, while using a low-cost membrane material., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 The Authors. Published by Elsevier Ltd.. All rights reserved.)

A model based on the fitting of stress-strain data by tensile tests of bio-composites made of a bioplastic (polybutylene succinate (PBS)) and brewer spent grain filler (BSGF) is developed. Experimental tests were performed for various concentrations of BSGF in the range from 2% to 30%. The model is suitable for describing the elastic-plastic behavior of these materials in terms of two mechanical parameters, tensile stress and tensile stiffness (or Young's modulus), depending on the filler concentration. The mechanical characteristics, derived from the fit parameters, show good agreement with the experimental data. The mathematical model used here could be an important aid for the experimentation and manufacturing process as it allows the prediction of the mechanical tensile parameters of a mixture with different filler concentrations, avoiding the long and complex preparation cycle of bio-composites, as well as the specific mechanical tests. The physical properties required by the objects created with the PBS-BSGF bio-composite by the partners/stakeholders of the research project co-financing this research can be quite different; therefore, a mathematical model that predicts some of the mechanical properties in terms of the mixture composition may be useful to speed up the selection of the required amount of BSGF in the mixture.

Nanoformulation of chemotherapies represents a promising strategy to enhance outcomes in cancer therapy. Gemcitabine is a chemotherapeutic agent approved by the Food and Drug Administration for the treatment of various solid tumors. Nevertheless, its therapeutic effectiveness is constrained by its poor metabolic stability and pharmacokinetic profile. Nanoformulations of gemcitabine in lipid and polymer nanocarriers usually lead to poor loading capability and an inability to effectively control its release profile due to the physicochemical characteristics of the drug and matrices. Here, we propose metal-gemcitabine complexation with biorelevant metal cations as a strategy to alter the properties of gemcitabine in a noncovalent manner, paving the way for the development of novel nanoformulations. A speciation study on gemcitabine and Mn 2+ , Zn 2+ , and Ca 2+ was performed with the aim of investigating the extent of the interaction between the drug and the proposed metal cations, and selecting the best conditions of temperature, pH, and drug-to-metal molar ratio that optimize such interactions. Also, a series of density functional theory calculations and spin-polarized ab initio molecular dynamics simulations were carried out to achieve insights on the atomistic modalities of these interactions. Mn 2+ -gemcitabine species demonstrated the ability to maintain gemcitabine's biological activity in vitro . The scientific relevance of this study lies in its potential to propose metal-gemcitabine as a valuable strategy for developing nanoformulations with optimized quality target product profiles. The work is also clinically relevant because it will lead to improved treatment outcomes, including enhanced efficacy and pharmacokinetics, decreased toxicity, and new clinical possibilities for this potent therapeutic molecule.

In recent years, emerging environmental pollutants have increasingly endangered the health of freshwater organisms. The gut microbiota exhibits sensitivity to medications, dietary factors and environmental pollutants, rendering it a novel target for toxicological studies. The gut microbiota can be a potential exposure route affecting the host's health. Herein, we review the current knowledge on two different but concurrent pollutants, microplastics and pesticides, regarding their impact on the gut microbiota, which includes alterations in microbial composition, gene expression, function, and health effects in the hosts. Moreover, synergetic interactions between microplastics and pesticides can exacerbate dysbiosis and health risks. We discuss health-related implications of gut microbial changes based on the consequences in metabolism, immunity, and physiology function. Further research is needed to discover the mechanisms underlying these effects and develop strategies for mitigating their harmful impacts on freshwater animals., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 Elsevier B.V. All rights reserved.)

Objectives: This study investigates the impact of nutrient availability on the growth, adhesion, and biofilm formation of Pseudomonas aeruginosa ATCC 27853 under static conditions. Methods: Bacterial behaviour was evaluated in nutrient-rich Luria-Bertani (LB) broth and nutrient-limited M9 media, specifically lacking carbon (M9-C), nitrogen (M9-N), or phosphorus (M9-P). Bacterial adhesion was analysed microscopically during the transition from reversible to irreversible attachment (up to 120 min) and during biofilm production/maturation stages (up to 72 h). Results: Results demonstrated that LB and M9 media supported bacterial growth, whereas nutrient-starved conditions halted growth, with M9-C and M9-N inducing stationary phases and M9-P leading to cell death. Fractal analysis was employed to characterise the spatial distribution and complexity of bacterial adhesion patterns, revealing that nutrient-limited conditions affected both adhesion density and biofilm architecture, particularly in M9-C. In addition, live/dead staining confirmed a higher proportion of dead cells in M9-P over time (at 48 and 72 h). Conclusions : This study highlights how nutrient starvation influences biofilm formation and bacterial dispersion, offering insights into the survival strategies of P. aeruginosa in resource-limited environments. These findings should contribute to a better understanding of biofilm dynamics, with implications for managing biofilm-related infections and industrial biofouling.

In the aging process, skin morphology might be affected by wrinkle formation due to the loss of elasticity and resilience of connective tissues linked to the cleavage of elastin by the enzymatic activity of elastase. Little information is available about the structural requirements to efficiently inhibit elastase 1 (EC 3.4.21.36) expressed in skin keratinocytes. In this study, a structure-based approach led to the identification to the pharmacophoric hypotheses that described the main structural requirements for binding to porcine pancreatic elastase as a valuable tool for the development of skin therapeutic agents due to its similarity with human elastase 1. The obtained models were subsequently refined through the application of computational alanine-scanning mutagenesis to evaluate the effect of single residues on the binding affinity and protein stability; in turn, molecular dynamic simulations were carried out; these procedures led to a simplified model bearing few essential features, enabling a reliable collection of chemical features for their interactions with elastase. Then, a virtual screening campaign on the in-house library of synthetic compounds led to the identification of a nonpeptide-based inhibitor (IC 50 = 60.4 µM) belonging to the class of N -substituted-1 H -benzimidazol-2-yl]thio]acetamides, which might be further exploited to obtain more efficient ligands of elastase for therapeutic applications.

Purpose: To assess the tear levels of a set of apoptotic, matrix-degrading and antioxidant biomarkers, including Metalloproteinase 9 (MMP9), High Mobility Group Box 1 (HMGB1) and Superoxide Dismutase 3-Extracellular (SOD3)., Methods: Sandwich-ELISA commercial kits were used to test the expression of the three tear biomarkers in the lacrimal fluid of eligible participants. Linear logistic regression analysis was performed todetermine whether the set of tear biomarkers could be associated with clinically manifest keratoconus. ROC curve analysis using 10-fold cross-validation was performedto evaluate the prediction accuracy of the model., Results: Eighty-one participants aged 30-48 years old were enrolled in this study; 48 were patients with keratoconus and 33 were age-matched healthy subjects. The linear combination of the three tear biomarkers levels (AUC = 0.811; CI 95 %: 0.712-0.911) accurately indicated the existence of keratoconus; higher levels of MMP9 (Odd Ratio: 1.069; CI 95 %: 1.029-1.130) and HMGB1 (OR: 1.011; CI 95 %: 1.003-1.022) and lower levels of SOD3 (OR: 0.994; CI 95 %: 0.989-0.997) were significantly associated with a higher probability of keratoconus., Conclusion: Multivariable analysis of the set of tear levels of MMP9, HMGB1 and SOD3 biomarkers confirmed a chronic state of inflammation in the ocular surface of patients with keratoconus., Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 The Author(s). Published by Elsevier Ltd.. All rights reserved.)

Phage display is widely used in biomedical research. One of the great advantages of phage display is the specificity of the connection of a foreign peptide exposed outside the capsid to the intended target. Secondary detection systems, which are often laborious and costly, are required to identify and quantify the peptide/target interaction. In this study, we generated a novel dual-display phage to facilitate the detection and quantification of the peptide/target interaction. First, we generated a biotin-tagged phage by adding a small biotin-accepting peptide (sBT) to gene-3 of the M13K07 helper phage. Subsequently, we enhanced the M13K07 biotin-tagged phage by incorporating a selective peptide on gene-8, which is then exposed to the phage capsid. The exposed peptide acts as a probe to bind to a selective molecular target, whose interaction can be readily visualized thanks to the biotinylated phage. Our versatile dual-display phage exhibits high flexibility; by swapping the displayed peptide/probe, one can change the phage target while retaining the sBT gene in-frame with the pIII. We expect the generated biotin-tagged dual phages to be used as a multifunctional probe to couple with several streptavidin-biotin-based systems.

We study by molecular dynamics simulations the absorption of polypropylene (PP) chains within a dipalmitoylphosphatidylcholine (DPPC) lipid membrane in aqueous solvent. DPPC represents the most abundant phospholipid in biological membranes, while PP is one of the most common synthetic polymers diffused in the anthropic environment. By following in detail the absorption process, and the corresponding structural modification undergone by the membrane, we show how the initial configuration and the PP molecular weight determine the overall behavior of the system. Specifically, if PP chains initially lie on the DPPC surface, they are fully absorbed; likewise, polymers initially included within the membrane cannot escape from. On the other hand, if polymers are placed sufficiently apart from the membrane, they have time to join together and coalesce into a few nanoparticles. At contact, such nanoparticles may completely dissolve (for low molecular weight) and then be absorbed. For high molecular weight, not all of them dissolve, and therefore the system attains a condition in which some of the chains are absorbed, while others form a residual nanoparticle staying outside (but in contact with) the membrane. Such a state─albeit energetically unfavorable with respect to a condition in which all PP chains are absorbed─remains stable, at the least over a substantial simulation time, extending in our study up to 1.6 μs. The tendency for polymers to spontaneously form aggregates, which then prefer to stay in contact with the membrane, is further corroborated by calculation of the DPPC-nanoparticle potential of mean force.

Background/aims: High Monomeric Polyphenols Berries Extract (HMPBE) is a formula highly rich in polyphenols clinically proven to enhance learning and memory. It is currently used to enhances cognitive performance including accuracy, working memory and concentration., Methods: Here, we investigated for the first time the beneficial effects of HMPBE in a mouse model of acute and chronic traumatic brain injury (TBI)., Results: HMPBE, at the dose of 15 mg/kg was able to reduce histological alteration as well as inflammation and lipid peroxidation. HMPBE ameliorate TBI by improving Nrf-2 pathway, reducing Nf-kb nuclear translocation and apoptosis, and ameliorating behavioral alteration such as anxiety and depression. Moreover, in the chronic model of TBI, HMPBE administration restored the decline of Tyrosine Hydroxylase (TH) and dopamine transporter (DAT) and the accumulation of a-synuclein into the midbrain region. This finding correlates the beneficial effect of HMPBE administration with the onset of parkinsonism related to traumatic brain damage., Conclusion: The data may open a window for developing new support strategies to limit the neuroinflammation event of acute and chronic TBI., Competing Interests: The authors have no relevant financial or non-financial interests to disclose., (© Copyright by the Author(s). Published by Cell Physiol Biochem Press.)

Here, we report new 2-nitro and/or 4-trifluoromethylphenyl-based small molecules developed as inhibitors of alpha-Syn fibril formation. The set of eighteen compounds was inspired by well-known alpha-Syn aggregation modulators retrieved from literature. The preliminary biochemical data suggested that the two molecules out of eighteen compounds exerted activity comparable to that of reference compound SynuClean-D (SC-D, 5-nitro-6-(3-nitrophenyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile), according to Thioflavin T kinetics. Pharmacophore modelling deciphered the main structural requirements for alpha-Syn aggregation modulators. Moreover, docking and molecular dynamics simulations depicted the binding mode with the targeted alpha-Syn fibrils. The structural data of these new potential α-Syn binders might furnish additional information for understanding the mechanism of action of the ligands that specifically target the NAC domain as theranostic agents for α-synucleopathies., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 Elsevier Ltd. All rights reserved.)

Nanocomposites based on copolymer and clay minerals are attracting increasing attention as they are appropriate for extensive applications. In this work, we present results from an experimental study on the effects of TiO 2 nanoparticles on a pluronic-F127/laponite water solution in the sol state. Differential Scanning Calorimetry (DSC), Dynamic Light Scattering (DLS) and Fourier Transform Infrared Attenuated Total Reflection Spectroscopy (FTIR-ATR) were used to characterize the systems. By DSC and DLS measurements the occurrence of micellization was first investigated. The temperature induced self-assembly was then studied by DLS identifying three relaxations associated to differently sized diffusing structures. The correlation between dynamics and bonding structure was thoroughly investigated by analyzing some specific infrared vibrational bands. In particular, the study of the characteristic absorption band of the ether groups in the dry state allowed to evaluate the amorphous/crystalline component evidencing the presence of more extended conformations in presence of the higher TiO 2 . Finally, the analysis of the bending mode for the residual water provided valuable insight about structural OH groups enabling a distinction between different types of water molecules associated to the copolymer/nanoparticle systems., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 Elsevier Inc. All rights reserved.)

We use three-dimensional direct numerical simulations of homogeneous isotropic turbulence in a cubic domain to investigate the dynamics of heavy, chiral, finite-size inertial particles and their effects on the flow. Using an immersed-boundary method and a complex collision model, four-way coupled simulations have been performed and the effects of particle-to-fluid density ratio, turbulence strength, and particle volume fraction have been analysed. We find that freely falling particles on the one hand add energy to the turbulent flow but, on the other hand, they also enhance the flow dissipation: depending on the combination of flow parameters, the former or the latter mechanism prevails, thus yielding enhanced or weakened turbulence. Furthermore, particle chirality entails a preferential angular velocity which induces a net vorticity in the fluid phase. As turbulence strengthens, the energy introduced by the falling particles becomes less relevant and stronger velocity fluctuations alter the solid phase dynamics, making the effect of chirality irrelevant for the large-scale features of the flow. Moreover, comparing the time-history of collision events for chiral particles and spheres (at the same volume fraction) suggests that the former tend to entangle, in contrast to the latter which rebound impulsively., Competing Interests: Declaration of interests. The authors report no conflict of interest.

The present study is based on the development of a straightforward method for the determination (semi-quantification) of 16 polycyclic aromatic hydrocarbons (PAHs) in extra virgin olive oil (EVOO) using "cryogenic-zone-compression" (CZC) gas chromatography-single quadrupole mass spectrometry (GC-QMS). The use of CZC (through a loop-type cryogenic modulator) to achieve enhanced signal-to-noise ratios (s/n), enabled a simplification of the sample preparation step. In fact, a single extraction process (using only 500 µL of acetonitrile) was performed prior to injection. The CZC GC-QMS method aligns with the principles of green analytical chemistry, and enabled an average s/n increase of 14-fold compared to conventional GC-QMS. The method limits of quantification were in the 0.07-8.33 µg kg -1 range. Accuracy (at the 2 μg kg -1 and 10 μg kg -1 concentration levels) was in the 82-103 % range. Intra-day and inter-day precision (at 2 μg kg -1 and 10 μg kg -1 concentration levels) were in the 1.9-14.7 % and 5.9-9.1 % ranges, respectively, while the recovery values (at 10 µg kg -1 ) ranged from 24 % to 99 %. For all the PAHs investigated, a positive matrix effect was observed. Two PAHs were detected (in the selected-ion-monitoring mode) in six EVOOs among the ten samples (not more than one PAH per sample)., Competing Interests: Declaration of competing interest The authors declare the following financial interests/personal relationships which may be considered as potential competing interests: Mariosimone Zoccali reports financial support was provided by Ministry of University and Research. If there are other authors, they declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 The Authors. Published by Elsevier B.V. All rights reserved.)

Objective: To report variants in 26 candidate genes and describe the clinical features of Italian patients with keratoconus (KC)., Subjects/methods: Sixty-four patients with a confirmed diagnosis of KC were enrolled in this genetic association study. Patients were classified into two study groups according to whether they had a confirmed diagnosis of progressive or stable KC. A purpose-developed Next Generation Sequencing (NGS) panel was used to identify and analyse the coding exons and flanking exon/intron boundaries of 26 genes known to be associated with KC and corneal dystrophies. Interpretation of the pathogenic significance of variants was performed using in silico predictive algorithms., Result: The targeted NGS research identified a total of 167 allelic variants of 22 genes in the study population; twenty-four patients had stable keratoconus (n. 54 variants) and forty patients had progressive disease (n. 113 variants). We identified genetic variants of certain pathogenic significance in five patients with progressive KC; in addition, eight novel genetic variants were found in eight patients with progressive KC. Mutations of FLG, LOXHD1, ZNF469, and DOCK9 genes were twice more frequently identified in patients with progressive than stable disease. Filaggrin gene variants were found in 49 patients (76% of total), of whom 32 patients (80% of progressive KC group) had progressive disease., Conclusions: Targeted NGS research provided new insights into the causative effect of candidate genes in the clinical phenotype of keratoconus. Filaggrin mutations were found to represent a genetic risk factor for development of progressive disease in Italy., (© 2024. The Author(s), under exclusive licence to The Royal College of Ophthalmologists.)

Morin (MRN), an intriguing bioflavonol, has received increasing interest for its antioxidant properties, as have its metal complexes (M z+ -MRN). Understanding their antioxidant behavior is critical to assess their pharmaceutical, nutraceutical potential, and therapeutic impact in the design of advanced antioxidant drugs. To this end, knowing the speciation of different H + -MRN and M z+ -MRN is pivotal to understand and compare their antioxidant ability. In this work, the protonation constant values of MRN under physiological ionic strength and temperature conditions (I = 0.15 mol L -1 and t = 37 °C), determined by UV-vis spectrophotometric titrations, are introduced. Thus, a reliable speciation model on H + -MRN species in aqueous solution is presented, which exhibits five stable forms depending on pH, supplemented by quantum-mechanical calculations useful to determine the proton affinities of each functional group and corresponding deprotonation order. Furthermore, potentiometry and UV-vis spectrophotometry have been exploited to determine the thermodynamic interaction parameters of MRN with different metal cations (Mg 2+ , Mn 2+ , Zn 2+ , Al 3+ ). The antioxidant ability of H + -MRN and M z+ -MRN has been evaluated by the 2,2'-diphenyl-1-benzopyran-4-one (DPPH) method, and the Zn 2+ -MRN system has proven to afford the most potent antioxidant effect. Ab initio molecular dynamics simulations of M z+ -MRN species at all possible chelation sites and under explicit water solvation allowed for the fine characterization not only of the metal chelation modalities of MRN in explicit water, but also of the role played by the local water environment around the metal cations. Those microscopic patterns reveal to be informative on the different antioxidant capabilities recorded experimentally., Competing Interests: Declaration of competing interest The authors declare no conflict of interest., (Copyright © 2024. Published by Elsevier Inc.)

Discovering novel emergent behavior in quantum many-body systems is a main objective of contemporary research. In this Letter, we explore the effects on phases and phase transitions of the proximity to a Ruelle-Fisher instability, marking the transition to a collapsed state. To accomplish this, we study by quantum Monte Carlo simulations a two-dimensional system of soft-core bosons interacting through an isotropic finite-ranged attraction, with a parameter η describing its strength. If η exceeds a characteristic value η_{c}, the thermodynamic limit is lost, as the system becomes unstable against collapse. We investigate the phase diagram of the model for η≲η_{c}, finding-in addition to a liquid-vapor transition-a first-order transition between two liquid phases. Upon cooling, the high-density liquid turns superfluid, possibly above the vapor-liquid-liquid triple temperature. As η approaches η_{c}, the stability region of the high-density liquid is shifted to increasingly higher densities, a behavior at variance with distinguishable quantum or classical particles. Finally, for η larger than η_{c} our simulations yield evidence of collapse of the low-temperature fluid for any density; the collapsed system forms a circular cluster whose radius is insensitive to the number of particles.

Populations undergoing extensive and rapid socio-economic transitions including historically disadvantaged communities face an increased risk of type-2 diabetes (T2D). In recent years, sedentary behavior and physical inactivity have been considered modifiable determinants when developing primary prevention programs to reduce T2D incidence. Reunion Island is a French overseas department with an increasing T2D population and a high level of socio-economic inequality. The objectives of our study were to identify the individual, social, and environmental factors associated with sedentary behavior and physical inactivity among the Reunion Island adult population, and to highlight these findings in order to propose T2D primary prevention strategies aiming at alleviating local social inequalities in health (SIH). In 2021, we conducted a population-based cross-sectional telephone survey using random sampling. Participants included adults over 15 years old living in ordinary accommodation on Reunion Island (n = 2,010). Using a sequential approach, multinomial logistic regression model (explaining 3 profiles of interest: sedentary/inactive, sedentary/active, non-sedentary/inactive), and sampling-design weighted estimates, we found that 53.9% [95% confidence interval: 51.1 to 56.7%] of participants had sedentary behavior and 20.1% [95% CI: 17.8 to 22.5%] were inactive. Abandoning physical activity due to the COVID-19 pandemic (p<0.001), final secondary school diploma or above (p = 0.005), student as professional status (p≤0.005) and living in fewer poor neighborhoods located far from city centers (p = 0.030) were four conditions independently associated with sedentary/inactive and/or sedentary/active profiles. Based on these findings, to help reduce SIH, we used a typology of actions based on the underlying theoretical interventions including four main action categories: strengthening individuals (using person-based strategies), strengthening communities, improving living and working conditions, and promoting health-based macro-policies. Our findings suggest several directions for reducing lifestyle risk factors and enhancing T2D primary prevention programs targeting psychosocial, behavioral, and structural exposures., Competing Interests: The authors have declared that no competing interests exist., (Copyright: © 2024 Fianu et al. This is an open access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.)

An X-ray analysis of exfoliated MoS 2 , produced by means of microwave-assisted liquid-phase exfoliation (LPE) from bulk powder in 1-methyl-2-pyrrolidone (NMP) or acetonitrile (ACN) + 1-methyl-2-pyrrolidone (NMP) solvents, has revealed distinct structural differences between the bulk powder and the microwave-exfoliated samples. Specifically, we performed X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS) measurements to identify the elements of our exfoliated sample deposited on a Si substrate by drop-casting, as well as their chemical state and its structural crystalline phase. In the exfoliated sample, the peaks pattern only partially resemble the theoretical Miller indices for MoS 2 . In contrast, the bulk powder's spectrum shows the characteristic peaks of the 2H polytype of MoS 2 , but with some broadening. Notable is the retention of partial crystallinity in the post-exfoliation phases, specifically in the normal-to-plane orientation, thus demonstrating the effectiveness of microwave-assisted techniques in producing 2D MoS 2 and attaining desirable properties for the material. XPS measurements confirm the success of the exfoliation procedure and that the exfoliated sample retains its original structure. The exfoliation process has been optimized to maintain the structural integrity of MoS 2 while enhancing its surface area and electrochemical performance, thereby making it a promising material for advanced electronic and optoelectronic applications ranging from energy storage to sensing devices under ambient conditions.