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The autophagy gene ATG7 has been shown to be essential for the induction of autophagy, a process that used to be suppressed in nonalcoholic fatty liver disease (NAFLD). However, the specific role of ATG7 in NAFLD remains unclear. The aim of this study was to analyze hepatic ATG7 mRNA and ATG7 protein expression regarding obesity-associated NAFLD. Patients included women classified into normal weight (NW, n = 6) and morbid obesity (MO, n = 72). The second group was subclassified into normal liver (NL, n = 11), simple steatosis (SS, n= 29), and nonalcoholic steatohepatitis (NASH, n = 32). mRNA expression was analyzed by RT–qPCR and protein expression was evaluated by Western blotting. Our results showed that NASH patients presented higher ATG7 mRNA and ATG7 protein levels. ATG7 mRNA expression was increased in NASH compared with SS, while ATG7 protein abundance was enhanced in NASH compared with NL. ATG7 mRNA correlated negatively with the expression of some hepatic lipid metabolism-related genes and positively with endocannabinoid receptors, adiponectin hepatic expression, and omentin levels. These results suggest that ATG7-mediated autophagy may play an important role in the pathogenesis of NAFLD, especially in NASH, perhaps playing a possible protective role. However, this is a preliminary study that needs to be further studied.

Effective prevention and risk prediction are important for peripheral artery disease (PAD) due to its poor prognosis and the huge disease burden it produces. Circulating amino acids (AA) and their metabolites may serve as biomarkers of PAD risk, but they have been scarcely investigated. The objective was to prospectively analyze the associations of baseline levels of plasma AA (and their pathways) with subsequent risk of PAD and the potential effect modification by a nutritional intervention with the Mediterranean diet (MedDiet). A matched case-control study was nested in the PREDIMED trial, in which participants were randomized to three arms: MedDiet with tree nut supplementation group, MedDiet with extra-virgin olive oil (EVOO) supplementation group or control group (low-fat diet). One hundred and sixty-seven PAD cases were matched with 250 controls. Plasma AA was measured with liquid chromatography/mass spectrometry at the Broad Institute. Baseline tryptophan, serine and threonine were inversely associated with PAD (ORfor 1 SD increase = 0.78 (0.61-0.99); 0.67 (0.51-0.86) and 0.75 (0.59-0.95), respectively) in a multivariable-adjusted conditional logistic regression model. The kynurenine/tryptophan ratio was directly associated with PAD (ORfor 1 SD increase = 1.50 (1.14-1.98)). The nutritional intervention with the MedDiet+nuts modified the association between threonine and PAD (p-value interaction = 0.018) compared with the control group. However, subjects allocated to the MedDiet+EVOO group were protected against PAD independently of baseline threonine. Plasma tryptophan, kynurenine/tryptophan ratio, serine and threonine might serve as early biomarkers of future PAD in subjects at a high risk of cardiovascular disease. The MedDiet supplemented with EVOO exerted a p

Dyslipidemia in gestational diabetes has been associated with worse perinatal outcomes. The ANGPTL3-4-8 axis regulates lipid metabolism, especially in the transition from fasting to feeding. In this study, we evaluated the response of ANGPTL3, 4, and 8 after the intake of a mixed meal in women with normal glucose tolerance and gestational diabetes, and we assessed their gene expressions in different placental locations. Regarding the circulating levels of ANGPTL3, 4, and 8, we observed an absence of ANGPTL4 response after the intake of the meal in the GDM group compared to its presence in the control group. At the placental level, we observed a glucose tolerance-dependent expression pattern of ANGPTL3 between the two placental sides. When we compared the GDM pregnancies with the control pregnancies, a downregulation of the maternal side ANGPTL3 expression was observed. This suggests a dysregulation of the ANGPTL3–4–8 axis in GDM, both at the circulating level after ingestion and at the level of placental expression. Furthermore, we discerned that the expressions of ANGPTL3, 4, and 8 were related to birth weight and placental weight in the GDM group, but not in the control group, which suggests that they may play a role in regulating the transplacental passage of nutrients.

Research related to sustainable diets is is highly relevant to provide better understanding of the impact of dietary intake on the health and the environment.To assess the association between the adherence to an energy-restricted Mediterranean diet and the amount of CO2 emitted in an older adult population.Using a cross-sectional design, the association between the adherence to an energy-reduced Mediterranean Diet (erMedDiet) score and dietary CO2 emissions in 6646 participants was assessed.Food intake and adherence to the erMedDiet was assessed using validated food frequency questionnaire and 17-item Mediterranean questionnaire. Sociodemographic characteristics were documented. Environmental impact was calculated through greenhouse gas emissions estimations, specifically CO2 emissions of each participant diet per day, using a European database. Participants were distributed in quartiles according to their estimated CO2 emissions expressed in kg/day: Q1 (≤2.01 kg CO2), Q2 (2.02-2.34 kg CO2), Q3 (2.35-2.79 kg CO2) and Q4 (≥2.80 kg CO2).More men than women induced higher dietary levels of CO2 emissions. Participants reporting higher consumption of vegetables, fruits, legumes, nuts, whole cereals, preferring white meat, and having less consumption of red meat were mostly emitting less kg of CO2 through diet. Participants with higher adherence to the Mediterranean Diet showed lower odds for dietary CO2 emissions: Q2 (OR 0.87; 95%CI: 0.76-1.00), Q3 (OR 0.69; 95%CI: 0.69-0.79) and Q4 (OR 0.48; 95%CI: 0.42-0.55) vs Q1 (reference).The Mediterranean diet can be environmentally protective since the higher the adherence to the Mediterranean diet, the lower total dietary CO2 emissions. Mediterranean Diet index may be used as a pollution level index.© 2023. The Author(s).

Microwave-assisted deep eutectic solvent (DES) has received attention as an ultrafast pretreatment method in lignocellulose fractionation. This study investigated the improvement of milled softwood mixture (MSM) fractionation with chlorine chloride-formic acid (ChCl:FA) to obtain residues with high glucan retention and purity while removing majority of the lignin and hemicelluloses. At the optimum pretreatment conditions i.e., ChCl:FA (1:4), 140 °C, 14 min, 800 W and 15 % (w/v), 96.2 % hemicellulose removal, 90.1 % delignification and 93.5 % glucan retention were achieved. About 85 % lignin was recovered with a 95 % purity when solid loading was 10–20 % (w/v). This study showed that microwave assisted ChCl:FA pretreatment was a suitable means to fractionate MSM to achieve high quality glucan and lignin at high solid loading.

Discoidin domain receptor 1 (DDR1) is a tyrosine kinase receptor expressed in epithelial cells from different tissues in which collagen binding activates pleiotropic functions. In the brain, DDR1 is mainly expressed in oligodendrocytes (OLs), the function of which is unclear. Whether collagen can activate DDR1 in OLs has not been studied. Here, we assessed the expression of DDR1 during in vitro OL differentiation, including collagen IV incubation, and the capability of collagen IV to induce DDR1 phosphorylation. Experiments were performed using two in vitro models of OL differentiation: OLs derived from adult rat neural stem cells (NSCs) and the HOG16 human oligodendroglial cell line. Immunocytofluorescence, western blotting, and ELISA were performed to analyze these questions. The differentiation of OLs from NSCs was addressed using oligodendrocyte transcription factor 2 (Olig2) and myelin basic protein (MBP). In HOG16 OLs, collagen IV induced DDR1 phosphorylation through slow and sustained kinetics. In NSC-derived OLs, DDR1 was found in a high proportion of differentiating cells (MBP+/Olig2+), but its protein expression was decreased in later stages. The addition of collagen IV did not change the number of DDR1+/MBP+ cells but did accelerate OL branching. Here, we provide the first demonstration that collagen IV mediates the phosphorylation of DDR1 in HOG16 cells and that the in vitro co-expression of DDR1 and MBP is associated with accelerated branching during the differentiation of primary OLs.

This study's objective was to assess the involvement of olfactomedin 2 (OLFM2), a secreted glycoprotein related to lipid metabolism regulation, in nonalcoholic fatty liver disease (NAFLD) mediated by the adipose-tissue-liver axis. OLFM2 mRNA expression was analyzed in subcutaneous (SAT) and visceral (VAT) adipose tissue by RT-qPCR. The cohort included women with normal weight (n = 16) or morbid obesity (MO, n = 60) who were subclassified into normal liver (n = 20), simple steatosis (n = 21), and nonalcoholic steatohepatitis (NASH, n = 19) groups. The results showed that OLFM2 expression in SAT was enhanced in MO individuals and in the presence of NAFLD. Specifically, OLFM2 expression in SAT was increased in mild and moderate degrees of steatosis in comparison to the absence of it. Moreover, OLFM2 expression in SAT was negatively correlated with interleukin-6 levels. On the other hand, OLFM2 expression in VAT decreased in the presence of NASH and exhibited a positive correlation with adiponectin levels. In conclusion, OLFM2 in SAT seems to be implicated in hepatic lipid accumulation. Additionally, since we previously suggested the possible implication of hepatic OLFM2 in NAFLD progression, now we propose a possible interaction between the liver and SAT, reinforcing the potential implication of this tissue in NAFLD development.

In this research work, pristine and various concentrations (2.4 wt%) of graphene oxide (GO)/carbon sphere (CS)–doped Al2O3 nanostructures (NSs) were synthesized with the chemical sol–gel method. Aluminum oxide (Al2O3) exhibits quick recombination of electrons and holes with a low specific surface to limit catalytic and antibacterial activities. Al2O3 doped with CS is good in wastewater treatment and reduces the size of NSs. The incorporation of graphene oxide (GO) into Al2O3 at different concentrations (2 and 4 wt%) enhances both the structural and chemical stabilities of the resulting material while concurrently decreasing the number of charge carriers and reducing the band gap energy. This modified Al2O3-GO composite exhibits promising potential for utilization in dye degradation and antibacterial activity. A series of characterizations were performed to investigate the structural, morphological, and optical properties. The NSs exhibited excellent catalytic activity (CA) against rhodamine B (RhB) dye in acidic, basic, and neutral media. The antimicrobial activity was tested against Escherichia coli. Pairs of electrons and holes are the primary building blocks for the production of reactive oxygen species (ROS), which causes bacteria to die. The significant inhibition zones against E. coli were calculated to be approximately 5.65 mm when compared to ciprofloxacin. Moreover, in silico investigations have revealed the possible inhibitory impact of produced nanomaterials (GO/CS-doped Al2O3) on DNA gyrase and FabI enzymes of fatty acid biosynthesis.

An exponential rise in global pollution and industrialization has led to significant economic and environmental problems due to the insufficient application of green technology for the chemical industry and energy production. Nowadays, the scientific and environmental/industrial communities push to apply new sustainable ways and/or materials for energy/environmental applications through the so-called circular (bio)economy. One of today's hottest topics is primarily valorizing available lignocellulosic biomass wastes into valuable materials for energy or environmentally related applications. This review aims to discuss, from both the chemistry and mechanistic points of view, the recent finding reported on the valorization of biomass wastes into valuable carbon materials. The sorption mechanisms using carbon materials prepared from biomass wastes by emphasizing the relationship between the synthesis route or/and surface modification and the retention performance were discussed towards the removal of organic and heavy metal pollutants from water or air (NOx, CO2, VOCs, SO2, and Hg0). Photocatalytic nanoparticle-coated biomass-based carbon materials have proved to be successful composites for water remediation. The review discusses and simplifies the most raised interfacial, photonic, and physical mechanisms that might take place on the surface of these composites under light irradiation. Finally, the review examines the economic benefits and circular bioeconomy and the challenges of transferring this technology to more comprehensive applications.© 2023. The Author(s).

Since the oldest known Acheulean lithic techno-typological features in Europe were reported at the site of Barranc de la Boella (Tarragona, Spain), continuous fieldwork has been conducted there in archeological deposits of the late Early Pleistocene age (0.99-0.78 Ma). As a result, excavations in two of the three open-air localities have significantly expanded the collection of lithic and faunal remains, allowing us to make progress in the interpretation of the hominin behaviors in an open-air fluvial-deltaic sedimentary environment. This includes examples of cumulative palimpsests, such as those found at the locality of La Mina, in which hominins only had a minimal role as modifying agents, as well as the extraordinary mammoth butchery site recorded at the Pit 1 locality. The aim of this paper is to present a comprehensive update of the collection of large shaped tools and to assess its significance in the framework of the earliest occurrence of the Acheulean in Europe. This cultural entity is increasingly well-documented for the early Middle Pleistocene, but very little is known about its presence in Europe before the Brunhes-Matuyama boundary. Large shaped tools appear in the three localities explored in the Unit II of Barranc de la Boella, including choppers (unifacial and bifacial) and standard Acheulean forms, such as picks, knives, and cleaver-like forms. Techno-typological and morphometrical analyses revealed a basic heavy-duty component obtained through simple shaping sequences coupled with significantly more elaborate tools produced on various large blanks (cobbles, slabs, or flakes). The complete bifacial and bilateral shapings have yet to be documented, but the present specific tool assemblage attests to the Early Acheulean technological threshold. Hence, th

In the context of the Western European Acheulean Project, this study aims to characterize Acheulean technology in Western Europe through the analysis of handaxes and cleavers from 10 key sites (Britain 4, France 4, and Spain 2) to acquire a regional view of the occupation. The historically different systems used to categorize and analyze the data have made it difficult to compare results. Here we apply a unified and simple method (Western European Acheulean Project) that combines the traditional technological and metrical analysis of assemblages containing handaxes and cleavers with an in-depth geometric morphometric approach using three-dimensional models. This approach allows us to achieve a regional interpretation that identifies innovations through time and shaping strategies across the area. Our findings indicate the existence of two main technological groups in the sampled record: 1) northwestern and central France and Britain, from MIS 17/16 to MIS 11, and 2) Atlantic edge (Atapuerca in Spain and Menez-Dregan in France), from MIS 12/11 to MIS 8. Based on our technological analysis, the shaping of handaxes and cleavers was developed through time as a continuum of accumulative actions, with longer and more complex shaping strategies over time. Shaping technology shows traditions of manufacture over both time and geographical areas, which suggest cultural diffusion. Our geometric morphometric analysis further helped to identify not only general trends but also local adaptations in handaxe forms. Based on our findings, there were no apparent sudden innovations, but rather the application and development of specific techniques to refine size and shape.

This paper explores the impact of dysprosium (Dy) doping on structural, optical, and photocatalytic properties of tin oxide (SnO2) thin films fabricated via spray pyrolysis. Dysprosium doping levels ranged from 0 to 7 at%, and films were grown on glass substrates at 350 °C. X-ray diffraction (XRD) analysis revealed an increase in crystallite size with Dy doping, signifying improved crystalline quality. Simultaneously, dislocation density and strain decreased, indicating enhanced film quality. Texture coefficient (Tchkl) results showed a predominant crystal orientation along the (110) plane due to Dy doping. Optical band gap energy (Eg) decreased with Dy doping up to 5%. Urbach energy increased with Dy doping, suggesting atomic structural flaws and defects. Scanning electron microscopy (SEM) analysis revealed the presence of numerous micro-aggregates on the film's surface. Notably, the density of these micro-aggregates increased proportionally with higher Dy doping levels, particularly emphasizing the pronounced effect observed in SnO2:Dy 5% thin films. These findings underscore the potential of Dy-doped SnO2 thin films for advanced photocatalytic applications, with SnO2:Dy 5% exhibiting favorable properties and demonstrating a 90.99% degradation efficiency in three hours under solar irradiation.

Complex networked systems often exhibit higher-order interactions, beyond dyadic interactions, which can dramatically alter their observed behavior. Consequently, understanding hypergraphs from a structural perspective has become increasingly important. Statistical, group-based inference approaches are well suited for unveiling the underlying community structure and predicting unobserved interactions. However, these approaches often rely on two key assumptions: that the same groups can explain hyperedges of any order and that interactions are assortative, meaning that edges are formed by nodes with the same group memberships. To test these assumptions, we propose a group-based generative model for hypergraphs that does not impose an assortative mechanism to explain observed higher-order interactions, unlike current approaches. Our model allows us to explore the validity of the assumptions. Our results indicate that the first assumption appears to hold true for real networks. However, the second assumption is not necessarily accurate; we find that a combination of general statistical mechanisms can explain observed hyperedges. Finally, with our approach, we are also able to determine the importance of lower and high-order interactions for predicting unobserved interactions. Our research challenges the conventional assumptions of group-based inference methodologies and broadens our understanding of the underlying structure of hypergraphs.

Starting in the mid-6th millennium cal BCE, Neolithic groups occupied the midlands of Sicily. The economy of these groups was based primarily on livestock farming. Archaeological and archaeobotanical data indicate an intensification of livestock practices during the Early Bronze Age, leading to a change in the landscape in the form of more open forests. The Vallone Inferno rockshelter in the Madonie massif is one of the few sites that has been systematically excavated in these midlands, and has yielded evidence of Middle Neolithic and Early Bronze Age occupations. This work focuses on the study of prehistoric husbandry in the Sicilian midlands and highlands through the analysis of the Vallone Inferno faunal remains. Although the Middle Neolithic and Early Bronze Age faunal assemblages of Vallone Inferno are mixed, the paucity of information from other sites in this area makes their study worthwhile. The faunal remains were analysed by means of a zooarchaeological and taphonomic study. Prehistoric Sicilian shepherds adapted to the conditions and resources of the Madonie massif midlands and highlands through husbandry and hunting practices. Husbandry was based on raising sheep and goats for meat and milk and exploiting their derivatives. Cattle, pigs and hunted animals were also exploited for their meat. The hunting of deer, leporids and, most probably, wild boar for meat and skins complemented livestock farming. Although mortality profiles should be interpreted with caution, the rockshelter was probably occupied seasonally as a sheepfold during the breeding months and most likely served as an intermediate settlement between herd movements across the Madonie massif. These occupations coincide with a period in which the forests were opened up in the Madonie mountains, whic

Disruptions of the light/dark cycle and unhealthy diets can promote misalignment of biological rhythms and metabolic alterations, ultimately leading to an oxidative stress condition. Grape seed proanthocyanidin extract (GSPE), which possesses antioxidant properties, has demonstrated its beneficial effects in metabolic-associated diseases and its potential role in modulating circadian disruptions. Therefore, this study aimed to assess the impact of GSPE administration on the liver oxidant system of healthy and diet-induced obese rats undergoing a sudden photoperiod shift. To this end, forty-eight photoperiod-sensitive Fischer 344/IcoCrl rats were fed either a standard (STD) or a cafeteria diet (CAF) for 6 weeks. A week before euthanizing, rats were abruptly transferred from a standard photoperiod of 12 h of light/day (L12) to either a short (6 h light/day, L6) or a long photoperiod (18 h light/day, L18) while receiving a daily oral dose of vehicle (VH) or GSPE (25 mg/kg). Alterations in body weight gain, serum and liver biochemical parameters, antioxidant gene and protein expression, and antioxidant metabolites were observed. Interestingly, GSPE partially ameliorated these effects by reducing the oxidative stress status in L6 through an increase in GPx1 expression and in hepatic antioxidant metabolites and in L18 by increasing the NRF2/KEAP1/ARE pathway, thereby showing potential in the treatment of circadian-related disorders by increasing the hepatic antioxidant response in a photoperiod-dependent manner.

Rheumatoid arthritis (RA) is associated with problems beyond the joints such as cardiovascular (CV) disease. MicroRNA-24, -146 and -Let7a are associated with carotid plaque presence in RA patients. We evaluated whether these microRNAs were involved in the inflammatory state of RA, and we studied their gene targets to understand their role in inflammation and atherosclerosis. A total of 199 patients with RA were included. Inflammatory variables such as disease activity score 28 (DAS28) and erythrocyte sedimentation rate (ESR) were quantified. MicroRNAs were extracted from plasma and quantified with qPCR. Multivariate models and classification methods were used for analysis. The multivariate models showed that diminished expression of microRNA-146 was associated with inferior levels of DAS28-ESR, and the decreased expression of microRNA-24, -146 and -Let7a were associated with lowered ESR in the overall cohort. When microRNAs were evaluated globally, a global increase was associated with increased DAS28-ESR and ESR in the overall cohort. Sex-stratified analyses showed different associations of these microRNAs with the inflammatory variables. Finally, random forest models showed that microRNAs have a pivotal role in classifying patients with high and low inflammation. Plasmatic expressions of microRNA-24, -146 and -Let7a were associated with inflammatory markers of RA. These microRNAs are associated with both inflammation and atherosclerosis and are potential therapeutic targets for RA.

This research lays the groundwork for preparing graphene oxide (GO)-doped CaO nanocomposites for efficient antibacterial potential and dye degradation. The study aimed to reduce the recombination rate of the electron hole (e−/h+) of CaO and improve charge transfer. This issue can be minimized by doping high-surface area GO into CaO quantum dots (QDs). Herein, the one-pot co-precipitation technique has prepared various concentrations (1, 3, and 5 wt%) of GO-doped CaO. Characterization techniques were used to investigate optical, elemental analysis, microstructural, functional, and morphological properties. The addition of GO into QDs showed excellent catalytic activity (CA) to control sample CaO against methylene blue (MB) in basic and acidic media compared to the neutral media. The synergistic effect of morphological alternation attributed to an increase in the mechanism of CA upon doping. Various concentrations of GO to QDs promised remarkable bactericidal potency against Escherichia coli.

BackgroundUniversity students are often affected by food insecurity (FI) and this situation has been associated with low consumption of fruit/vegetables and high intake of added sugars and sweet drinks. However, there needs to be more evidence on the association between FI and dietary patterns (DPs), assessing the overall diet and allowing analysis of commonly consumed food combinations. We aimed to analyze the association between FI and DPs in university students' households.MethodsWe used data from 7659 university student households from the 2018 Mexican National Household Income and Expenditure Survey (ENIGH, for its acronym in Spanish). We obtained FI levels (mild, moderate, and severe) using the validated Mexican Food Security Scale (EMSA, Spanish acronym). Two DPs were identified by principal component analysis based on the weekly frequency of consumption of 12 food groups. Multivariate logistic regression adjusted by university student and household's characteristics was applied.ResultsCompared to food security, households with mild-FI (OR:0.34; 95%CI:0.30, 0.40), moderate-FI (OR:0.20; 95%CI:0.16, 0.24) or severe-FI (OR:0.14; 95%CI:0.11, 0.19) were less likely to adhere to the dietary pattern "Fruits, vegetables and foods rich in animal protein" (fruits, vegetables, meat, fish or seafood, dairy products, and starchy vegetables). In addition, people with severe-FI (OR:0.51; 95% CI:0.34, 0.76) were also less likely to adhere to the dietary pattern "Traditional-Westernized" (pulses, oils or fats, sugar, sweets, industrialized drinks, foods made from corn/maize, wheat, rice, oats or bran, coffee, tea and eggs).ConclusionsIn these households FI impairs the ability to consume a healthy dietary pattern (fruits/vegetables and foods rich in animal protein). In addition, t

SLC30A9 encodes a ubiquitously zinc transporter (ZnT9) and has been consistently suggested as a candidate for positive selection in humans. However, no direct adaptive molecular phenotype has been demonstrated. Our results provide evidence for directional selection operating in two major complementary haplotypes in Africa and East Asia. These haplotypes are associated with differential gene expression but also differ in the Met50Val substitution (rs1047626) in ZnT9, which we show is found in homozygosis in the Denisovan genome and displays accompanying signatures suggestive of archaic introgression. Although we found no significant differences in systemic zinc content between individuals with different rs1047626 genotypes, we demonstrate that the expression of the derived isoform (ZnT9 50Val) in HEK293 cells shows a gain of function when compared with the ancestral (ZnT9 50Met) variant. Notably, the ZnT9 50Val variant was found associated with differences in zinc handling by the mitochondria and endoplasmic reticulum, with an impact on mitochondrial metabolism. Given the essential role of the mitochondria in skeletal muscle and since the derived allele at rs1047626 is known to be associated with greater susceptibility to several neuropsychiatric traits, we propose that adaptation to cold may have driven this selection event, while also impacting predisposition to neuropsychiatric disorders in modern humans.Copyright: © 2023 Roca-Umbert 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.

The occurrence of pharmaceuticals in influent wastewater samples (IWW) is a recurrent issue. The monitoring of their presence is not only valuable from an environmental point of view, but also as a tool to analyze patterns of human use by the so-called wastewater-based epidemiology. The development of an analytical method based on solid-phase extraction followed by liquid chromatography coupled to tandem mass spectrometry to monitor the occurrence of a group of seventeen pharmaceuticals including the most representative for various therapeutic families in IWW samples is described in this work. The samples were collected during a monitoring week in six wastewater treatment plants located in different cities and towns across Spain. The developed method provides acceptable figures of merit with apparent recoveries in IWW ranging from 42% to 139%, and low matrix effect (in general lower than ± 30%), and method quantification limits (MQL) between 1 ng/L and 24 ng/L for all compounds, except atenolol (58 ng/L). All the studied pharmaceuticals were found in all samples with concentrations ranging from < MQL to 10,393 ng/L, being the highest concentrations for tramadol. The population normalized daily loads revealed that the use of pharmaceuticals follows, in general, a similar pattern in all cities monitored.

Here we analyze SARS-CoV-2 genome copies in Catalonia's wastewater during the Omicron peak and develop a mathematical model to estimate the number of infections and the temporal relationship between reported and unreported cases. 1-liter samples from 16 wastewater treatment plants were collected and used in a compartmental epidemiological model. The average correlation between genome copies and reported cases was 0.85, with an average delay of 8.8 days. The model estimated that 53% of the population was infected, compared to the 19% reported cases. The under-reporting was highest in November and December 2021. The maximum genome copies shed in feces by an infected individual was estimated to range from 1.4×108 gc/g to 4.4×108 gc/g. Our framework demonstrates the potential of wastewater data as a leading indicator for daily new infections, particularly in contexts with low detection rates. It also serves as a complementary tool for prevalence estimation and offers a general approach for integrating wastewater data into compartmental models.

Autism spectrum disorder (ASD) encompasses several neurodevelopmental conditions characterized by communication and social impairment, as well as repetitive patterns of behavior. However, it can co-occur with other mental conditions such as anxiety. The massive use of chlorpyrifos (CPF) has been linked to the increased prevalence of developmental disorders. Likewise, ASD has also been closely linked to a wide variety of genetic factors. The aims of the present investigation are to study how gestational CPF exposure and APOE polymorphism affects communication skills, early development and mid-term anxiety-like behaviors, as well as, changes in gene expression related to the cholinergic system. C57BL/6J and humanized apoE3 and apoE4 homozygous mice were exposed to 0 or 1 mg/kg/day of CPF through the diet, from gestational day (GD) 12-18. In addition, a group of C57BL/6J females were injected subcutaneously with 300 mg/kg/day of valproic acid (VPA) on GD 12 and 13. This group was used as a positive control for studying some core and associated autism-like behaviors. Communication skills by means of ultrasonic vocalizations and physical/motor development were assessed during the preweaning period, whereas locomotor activity, anxiety-like behaviors and the gene expression of cholinergic elements were evaluated during adolescence. Our results showed that C57BL/6J mice prenatally exposed to CPF or VPA showed a decrease in body weight and a delay in eye opening. Communication and anxiety behavior were affected differently depending on treatment, while gene expression was altered by sex and treatment. In addition, none of the parameters evaluated in apoE transgenic mice exposed to CPF were affected, but there were differences between genotypes. Therefore, we suggest that prenata

This paper analyzes rainfall data to characterize the rainy season and define rice and maize crop calendars for current and future conditions in Madagascar. The daily rainfall data are taken from observational climate records and climate model simulations from the CMIP6 under the SSP245 and SSP585 scenarios. Rainy season characteristics are calibrated to fit rice and maize crop growth stages. The comparison between the past (1950–2018) and the future (2030–2100) highlights changes in the onset and cessation dates, which happen later and earlier, respectively. This causes the reduction of the rainy season duration, which affects the rice and maize crop calendars, especially its sowing or seeding periods. The worst (best) case is mainly observed in the southeast (southwest). On the one hand, the southwestern region may need to adapt to grow rice and maize crops with short or medium crop cycles in the future. In the Highland or Central land, the length of the sowing or seeding period increases. On the other hand, the North and East face a significant reduction in the length of the sowing or seeding period. Rice endures more than maize. Growing rice crops twice a year may not be possible in the future. But rather, we observe minor changes in the West. Our analysis suggests the imperative necessity to advise smallholder farmers to rely on short crop cycle varieties of rice and maize crops. Predominantly, the harvesting period is postponed. It is recommended to carefully consider our results for the definition of food policies.

Contaminants removal is usually becoming an exciting subject of research from water considering their environmental and ecological effects. This work provides pathways to remove organic pollutants from water via nanomaterials and is used as an antibiotic against bacteria like Escherichia coli (E. coli). In this study, molybdenum trioxide (MoO3) and yttrium (Y) doped (2 and 4%) MoO3 nanorods were synthesized by co-precipitation method. Advanced characterization techniques have been introduced to study textural structures, morphological developments, and optical characteristics of produced products. X-ray diffraction studied multiple crystalline structures of prepared samples as hexagonal, orthorhombic, and monoclinic of pure MoO3 with decrease in crystallinity and crystallite size upon Y doping. UV-visible spectroscopy unveiled a redshift (bathochromic effect) in absorption pattern attributed to band gap energy (Eg) decreases. Photoluminescence spectra examined the recombination rate of electrons (e-) and holes (h+) as charge carriers. A sufficient catalytic activity (CA) was observed against methylene blue (MB) dye in an acidic medium (99.74%) and efficient bactericidal action was studied against (E. coli) with zone of inhibition (5.20 mm) for 4% Y-doped MoO3. In addition, in silico docking demonstrated potential inhibitory effect of produced nanomaterials on FabH and FabI enzymes of fatty acid biosynthesis.Copyright © 2023 The Authors. Published by Elsevier Ltd.. All rights reserved.

Beads based on a mannuronate(M)-rich alginate (86 % M units) were prepared by adding the polysaccharide solution to a crosslinking bath containing different concentrations (0.5, 2 and 10 wt%) of XCl2 where X = Ca, Cu or Zn. Primarily focus was on Zn, due to its antioxidant, anti-inflammatory and anti-microbial capabilities. The beads were characterized by Field-Emission Scanning Electron Microscopy (FESEM), Fourier-Transform Infra-Red spectroscopy (FT-IR), Thermogravimetric Analysis (TGA), Small-Angle X-ray Scattering (SAXS) and compression tests. The crosslinking agent significantly influenced the properties of the resulting beads. Specifically, Ca-based beads exhibited a smoother surface, while Cu- and Zn-based beads appeared rougher. Interestingly, Zn-based beads displayed a core-shell structure. Young moduli ranged from 3500 and 7000 MPa, with the highest values observed for Zn-beads. SAXS investigation at 0.5 wt% XCl2 suggested increase in the densely packed domains amount in the order: Ca < Cu < Zn. Extended X-ray Absorption Fine Structure (EXAFS) showed that the coordination number was 4.3 ± 0.4 for Cu, and 4.0 ± 0.2 and 1.1 ± 0.1 for Zn in 0.5 wt% XCl2 alginate xerogels, in agreement with reported Density Functional Calculations on Cu2+- and Zn2+-MM complexes. The results from FT-IR, compositional analysis and EXAFS collectively suggested a bridging coordination for these systems.Copyright © 2023. Published by Elsevier B.V.

Climate change has become a risk that companies, governments and stakeholders must consider. Climate risk affects everything from people's health to the performance of companies. The European Union has approved various legislations and action plans to counteract the effects of climate change in a pioneering strategy. Companies can play a critical role in mitigating climate change and creating a more sustainable future by integrating environmental considerations into their decision-making processes. However, this integration may impact their performance. This paper aims to analyse the effect of climate change on the stock returns of European companies. The study sample consists of 265 companies listed in the Stoxx 600 index between 2015 and 2021 and the methodology used is the econometric method for panel data. The results show that carbon emissions have a negative effect on the performance of companies. Oppositely, a good rating in the environmental pillar has a positive impact on returns.

Chemicals infiltrate our daily experiences through multiple exposure pathways. Human biomonitoring (HBM) is routinely used to comprehensively understand these chemical interactions. Historically, HBM depended on targeted screening methods limited to a relatively small set of chemicals with triple quadrupole instruments typically. However, recent advances in high-resolution mass spectrometry (HRMS) have facilitated the use of broad-scope target, suspect, and non-target strategies, enhancing chemical exposome characterization within acceptable detection limits. Despite these advancements, establishing robust and efficient sample treatment protocols is still essential for trustworthy broad-range chemical analysis. This study sought to validate a methodology leveraging HRMS-based strategies for accurate profiling of exogenous chemicals and related metabolites in urine samples. We evaluated five extraction protocols, each encompassing various chemical classes, such as pharmaceuticals, plastic additives, personal care products, and pesticides, in terms of their extraction recoveries, linearity, matrix effect, sensitivity, and reproducibility. The most effective protocol was extensively validated and subsequently applied to 10 real human urine samples using wide-scope target analysis encompassing over 2000 chemicals. We successfully identified and semi-quantified a total of 36 chemicals using an ionization efficiency-based model, affirming the methodology's robust performance. Notably, our results dismissed the need for a deconjugation step, a typically labor-intensive and time-consuming process.© 2023. The Author(s).

A critical query on literature is the approach used to immobilize homogeneous catalysts to improve their efficiency and recyclability. This work aims to compare the immobilization level of a kind of Pd-N,N′-bis(salicylidene)-o-phenylenediamine complex on high surfaces of polymeric resins to provide heterogenous catalysts for Mizorocki-Heck reaction. The preparation method involves two strategies: (i) polymerization of the ligand before the complex-synthesis in a “multi-step (MS)” approach and (ii) a direct “one-step” (OS) immobilization by polymerization of the metal-containing monomers (MCMs) as co-monomer. Both approaches effectively yield polymers with a larger surface area, over 700 m2 g−1, and suitable thermic properties to use in the proposed reaction. In addition, the characterization of the polymers by XRD, XPS, and TEM demonstrates notable differences in Pd species on polymer support associated with the methodological approach to immobilizing the metal complex.

This paper presents a study of the existence conditions of limit cycles and mechanisms when losing their stability in an open-loop DC-DC boost converter loaded with a constant power load and operating in discontinuous conduction mode. First, the existence conditions are determined. Then, boundaries associated with different kinds of instabilities such as the classical smooth fold and period-doubling bifurcations and nonsmooth border-collision bifurcations such as fold border-collision bifurcations are elucidated. To perform the stability analysis, an implicit 1D map for the system is derived. From this model, it is obtained that smooth period-doubling and fold bifurcations may occur at certain values of the circuit parameters. Some results from numerical simulations performed on the circuit-based switched model are provided showing consistency with the theoretical analysis from the derived model.

Can we help predict the future impact of researchers using early-career factors? We analyze early-career factors of the world's 100 most prominent researchers across 8 scientific fields and identify four key drivers in researchers' initial career: working at a top 25 ranked university, publishing a paper in a top 5 ranked journal, publishing most papers in top quartile (high-impact) journals and co-authoring with other prominent researchers in their field. We find that over 95% of prominent researchers across multiple fields had at least one of these four features in the first 5 years of their career. We find that the most prominent scientists who had an early career advantage in terms of citations and h-index are more likely to have had all four features, and that this advantage persists throughout their career after 10, 15 and 20 years. Our findings show that these few early-career factors help predict researchers' impact later in their careers. Our research thus points to the need to enhance fairness and career mobility among scientists who have not had a jump start early on.© 2023. The Author(s).

Understanding the potential impact of organic contaminants on male fertility is crucial, yet limited studies have examined these chemicals in semen, with most focusing on urine and blood. To address this gap, we developed and validated a robust LC-HRMS methodology for semen analysis, with a focus on polar and semipolar chemicals. Our methodology enables the quantitative (or semiquantitative) analysis of >2000 chemicals being compatible with suspect and nontarget strategies and providing unprecedented insights into the occurrence and potential bioaccumulation of diverse contaminants in this matrix. We comprehensively analyzed exogenous organic chemicals and associated metabolites in ten semen samples from Spanish participants collected in an area with a large presence of the chemical industry included in the LED-FERTYL Spanish study cohort. This investigation revealed the presence of various contaminants in semen, including plastic additives, PFAS, flame retardants, surfactants, and insecticides. Notably, prevalent plastic additives such as phthalic acid esters and bisphenols were identified, indicating potential health risks. Additionally, we uncovered previously understudied chemicals like the tire additive 2-mercaptobenzothiazole and specific organophosphate flame retardants. This study showcases the potential of our methodology as a valuable tool for large-scale cohort studies, providing insights into the association between contaminant exposure and the risk of male fertility impairments.

Understanding metal-metal bonding involving f-block elements has been a challenging goal in chemistry. Here we report a series of mixed-valence di-metallofullerenes, ThDy@C2n (2n = 72, 76, 78, and 80) and ThY@C2n (2n = 72 and 78), which feature single electron actinide-lanthanide metal-metal bonds, characterized by structural, spectroscopic and computational methods. Crystallographic characterization unambiguously confirmed that Th and Y or Dy are encapsulated inside variably sized fullerene carbon cages. The ESR study of ThY@D3h(5)-C78 shows a doublet as expected for an unpaired electron interacting with Y, and a SQUID magnetometric study of ThDy@D3h(5)-C78 reveals a high-spin ground state for the whole molecule. Theoretical studies further confirm the presence of a single-electron bonding interaction between Y or Dy and Th, due to a significant overlap between hybrid spd orbitals of the two metals.© 2023. Springer Nature Limited.

Early sepsis diagnosis is crucial for implementing adequate antibiotic therapy and for patient survival. This study investigated whether using multiplexed PCR for detecting microorganisms in critical septic patients affects initial antibiotic treatment and compared it to microbiological culture. It also explored scenarios where PCR is more effective in clinical practice. One hundred nineteen specimens (83 blood and 36 respiratory specimens) belonging to 93 patients were analyzed. Multiplexed PCR determinations were performed using the FA-BCID Panel (bioMérieux) for blood samples and the FA-Pneumo for respiratory samples. The mean turnaround times were 1.7 h for the FA-BCID and 1.5h for the FA-Pneumo. Conversely, they were 96.1 h for blood cultures and 72.3 h for respiratory cultures. FA-BCID showed a mean sensitivity of 97% and specificity of 100%. FA-Pneumo showed a sensitivity of 100% and specificity of 90%. However, the positive predictive value was only 39%. Discrepancies were common in polymicrobial samples. Based on the PCR results, initial empirical treatment should have been changed in 71% of patients with bloodstream infections and 61% with respiratory infections. We conclude that multiplexed PCR improves the response time in identifying germs with a high degree of coincidence for blood cultures and moderate for respiratory cultures. These results highlight the importance of PCR in choosing an appropriate antibiotic therapy.© 2023. The Author(s).

In this article we demonstrate that contrary to general belief, the standard Einstein-Helfand (EH) formulas are valid for the evaluation of transport coefficients of systems containing dissipative and random forces provided that for these mesoscopic systems: (i) the corresponding conservation laws are satisfied, and (ii) the transition probabilities satisfy detailed balance. Dissipative particle dynamics (DPD) and energy-conserving DPD methods (DPDE), for instance, are archetypical of such mesoscopic approaches satisfying these properties. To verify this statement, we have derived a mesoscopic heat flux form for the DPDE method, suitable for the calculation of the thermal conductivity from an EH expression. We have compared EH measurements against non-equilibrium simulation values for different scenarios, including many-body potentials, and have found excellent agreement in all cases. The expressions are valid notably for systems with density- and temperature-dependent potentials, such as the recently developed generalised DPDE method (GenDPDE) [Avalos et al., Phys. Chem. Chem. Phys., 2019, 21, 24891]. We thus demonstrate that traditional EH formulas in equilibrium simulations can be widely used to obtain transport coefficients, provided that the appropriate expression for the associated flux is used.

The design of a green photocatalytic system that harnesses renewable and eco-friendly constituents holds the potential to offer valuable insights into alternative strategies for treating toxic multi-components in refinery water effluents. A significant challenge in implementing a practical and viable approach is the utilization of solar energy-an abundant, natural, and cost-effective resource-for photochemical processes within advanced oxidation processes. In this study, we explored the use of zinc oxide nanoparticles (ZnO NPs) as photocatalyst prepared via an environmentally friendly synthesis approach, resulting in the formation of crystalline wurtzite nanoparticles, with an average size of about 14 nm relatively spherical in shape. Notably, the extract derived from Moringa oleifera was employed in this investigation. These nanoparticles were characterized and validated using various characterization techniques, including X-ray diffraction, transmission electron microscopy, field emission scanning electron microscopy, and energy dispersive X-ray spectroscopy. For comparison, conventionally synthesized ZnO NPs were also included in the evaluations. The findings reveal that, under illumination, biosynthesized ZnO nanoparticles (NPs) exhibit photocatalytic performance in effectively breaking down the organic compounds present in synthetic petroleum wastewater. Photochemical analysis further illustrates the degradation efficiency of Green-ZnO, which, within 180 min of irradiation resulted in 51%, 52%, 88%, and 93% of removal for Phenol, O-Cresol. Under optimal loading conditions, NPs produced via the green synthesis approach perform better when compared to chemically synthesized ZnO. This significant improvement in photocatalytic activity underscores the potential of eco

There is increasing attention on developing efficient processes including circular economy principles, and obtaining fuels from wastewater treatment feedstocks is among the most promising. As a wastewater treatment byproduct, sewage sludge is a source of lipids that can be converted to biodiesel in a transesterification process. Economic and environmental analysis have been applied to a 60 m3/h sewage sludge plant, exploring 32 process alternatives. Using solvent extraction from wet sewage sludge, the high cost associated with the drying step is skipped. The wet alternatives with low amounts of solvent and acid usage depicted higher performance compared to the dry ones. Incorporating additional extraction stages increases both the financial gains and environmental impacts. As a result, a multicriteria analysis is implemented to ascertain the optimum process based on different priorities. The case with 0.5:1 (v/v) of hexane to biomass ratio, 3-stage extractor, 60 min residence time and pH 4 was the optimum alternative in most criteria.Copyright © 2023 The Authors. Published by Elsevier Ltd.. All rights reserved.

An urgent action to mitigate climate change is the replacement of hydrofluorocarbons used in refrigeration systems, for low-global warming potential (GWP) alternatives, with stringent legislations in place. However, very limited options exist for single-component low-GWP refrigerants with similar technical performance. This work presents an integrated approach for the rational design of low-GWP refrigerant blends, focused on replacing R134a (GWP 1430), and R410A (GWP 2088), used in automotive and domestic air-conditioning, and in high pressure commercial and industrial refrigeration, respectively. A 4 E analysis (energy, exergy, economic and environmental) was employed to select suitable candidates. The molecular polar soft-SAFT theory was used in a predictive manner to fill the gap in thermodynamic data required for evaluating the technical performance based on initial selection criteria including GWP, toxicity, flammability, and degree of azeotropy. Potential candidates from a pool of 432 options were narrowed down and evaluated using a drop-in analysis to replace the working fluids R134a and R410A in today's refrigeration and air conditioning cycles, resulting in seven promising blends. Environmental and cost rate evaluation (geographically dependent based on electricity cost, HFC utilization taxes, and carbon emission factors) quantified the impact associated with their use and emissions, allowing to identify suitable replacements: three blends for replacing R134a: (90/10) wt.% R1243yf + R152a, (90/10) wt.% R1243yf + R134a, and (60/40) wt.% R1243zf + R1234ze(E), and one for replacing R410A: (90/10) wt.% R1123 + R32. This work showcases the importance of using robust thermodynamic models in the search of low-GWP refrigerants blends, considering the 4 E criteria.

Numerical simulations of the ocean and atmosphere provide crucial information for climate policies and socio-economic decisions. A coupled atmosphere–ocean model can potentially improve the representation of processes and forecast fields compared to an uncoupled one. This work aims to assess under which conditions the coupled model performs better than the uncoupled one and evaluate those differences in a high-energy storm in the northwestern Mediterranean area, which was modeled to compare coupled and uncoupled simulations of storm Gloria (January 2020). The model was validated and verified with observations from weather stations, atmospheric soundings, buoys, and the operational models of METEOCAT. Although the coupling of the models does not substantially affect the atmospheric large-scale flows, a significant impact has been found for the small and mesoscale structures. On the ocean, differences between the coupled and uncoupled models arise over the entire spatial and temporal scales, which the coupling exhibits better performance.

AI-based chatbots are an emerging technology disrupting the tourism industry. Although chatbots have received increasing attention, there is little evidence of their impact on tourists' decisions to visit a destination. This study evaluates the key attributes of chatbots and their effects on user satisfaction and visit intention. We use structural equation modeling with covariance procedures to test the proposed model and its hypotheses. The results showed that informativeness, empathy, and interactivity are critical attributes for satisfaction, which drive tourists' intention to visit a destination.Copyright: © 2023 Orden-Mejía 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.

In some systems, the behavior of the constituent units can create a contextthat modifies the direct interactions among them. This mechanism of indirect modification inspired us to develop a minimal model of context-dependent spreading. In our model, agents actively impede (favor) or not diffusion during an interaction, depending on the behavior they observe among all the peers in the group within which that interaction occurs. We divide the population into two behavioral types and provide a mean-field theory to parametrize mixing patterns of arbitrary type-assortativity within groups of any size. As an application, we examine an epidemic-spreading model with context-dependent adoption of prophylactic tools such as face masks. By analyzing the distributions of groups' size and type-composition, we uncover a rich phenomenology for the basic reproduction number and the endemic state. We analytically show how changing the group organization of contacts can either facilitate or hinder epidemic spreading, eventually moving the system from the subcritical to the supercritical phase and vice versa, depending mainly on sociological factors, such as whether the prophylactic behavior is hardly or easily induced. More generally, our work provides a theoretical foundation to model higher-order contexts and analyze their dynamical implications, envisioning a broad theory of context-dependent interactions that would allow for a new systematic investigation of a variety of complex systems.

The COVID-19 pandemic has had a devastating impact on the health and wellbeing of the global population. This paper presents the results of a longitudinal transcultural study that was begun at the peak of the pandemic (in April, 2020). An online survey was used to collect data from English-, Spanish-, and Portuguese-speaking participants. The survey collected information about sociodemographics, lifestyle activities, COVID-19-related circumstances, and drug use (with an emphasis on hallucinogenic drugs), as well as involving psychometric questionnaires. Users of hallucinogenic drugs had higher psychological well-being and lower scores on psychopathology scales, both at baseline and during follow-ups. This difference was larger when users were distinguished by frequency of use, as regular users scored higher on psychological well-being and lower on psychopathology scales. Subjects with more psychological distress had lower scores for all scales of post-traumatic growth, but if they were regular hallucinogens users, they had higher scores for post-traumatic growth. When comparing the results between cultural contexts, heterogeneous results were obtained. There were more English-speaking regular users of hallucinogenic drugs. Further research should analyse the potential role of hallucinogens in large-scale catastrophes, with a special focus on post-traumatic growth.

Electronic couplings in intermolecular electron and energy transfer processes calculated by six different existing computational techniques are compared to nonorthogonal configuration interaction for fragments (NOCI-F) results. The paper addresses the calculation of the electronic coupling in diketopyrrolopyrol, tetracene, 5,5'-difluoroindigo, and benzene-Cl for hole and electron transport, as well as the local exciton and singlet fission coupling. NOCI-F provides a rigorous computational scheme to calculate these couplings, but its computational cost is rather elevated. The here-considered ab initio Frenkel-Davydov (AIFD), Dimer projection (DIPRO), transition dipole moment coupling, Michl-Smith, effective Hamiltonian, and Mulliken-Hush approaches are computationally less demanding, and the comparison with the NOCI-F results shows that the NOCI-F results in the couplings for hole and electron transport are rather accurately predicted by the more approximate schemes but that the NOCI-F exciton transfer and singlet fission couplings are more difficult to reproduce.

Shortly after the beginning of the SARS-CoV-2 pandemic, many countries implemented sewage sentinel systems to monitor the circulation of the virus in the population. A fundamental part of these surveillance programs is the variant tracking through sequencing approaches to monitor and identify new variants or mutations that may be of importance. Two of the main sequencing platforms are Illumina and Oxford Nanopore Technologies. Here, we compare the performance of MiSeq (Illumina) and MinION (Oxford Nanopore Technologies), as well as two different data processing pipelines, to determine the effect they may have on the results. MiSeq showed higher sequencing coverage, lower error rate, and better capacity to detect and accurately estimate variant abundances than MinION R9.4.1 flow cell data. The use of different variant callers (LoFreq and iVar) and approaches to calculate the variant proportions had a remarkable impact on the results generated from wastewater samples. Freyja, coupled with iVar, may be more sensitive and accurate than LoFreq, especially with MinION data, but it comes at the cost of having a higher error rate. The analysis of MinION R10.4.1 flow cell data using Freyja combined with iVar narrows the gap with MiSeq performance in terms of read quality, accuracy, sensitivity, and number of detected mutations. Although MiSeq should still be considered as the standard method for SARS-CoV-2 variant tracking, MinION’s versatility and rapid turnaround time may represent a clear advantage during the ongoing pandemic.

Untargeted metabolomics is an analytical approach with numerous applications serving as an effective metabolic phenotyping platform to characterize small molecules within a biological system. Data quality can be challenging to evaluate and demonstrate in metabolomics experiments. This has driven the use of pooled quality control (QC) samples for monitoring and, if necessary, correcting for analytical variance introduced during sample preparation and data acquisition stages. Described herein is a scoping literature review detailing the use of pooled QC samples in published untargeted liquid chromatography-mass spectrometry (LC-MS) based metabolomics studies. A literature query was performed, the list of papers was filtered, and suitable articles were randomly sampled. In total, 109 papers were each reviewed by at least five reviewers, answering predefined questions surrounding the use of pooled quality control samples. The results of the review indicate that use of pooled QC samples has been relatively widely adopted by the metabolomics community and that it is used at a similar frequency across biological taxa and sample types in both small- and large-scale studies. However, while many studies generated and analyzed pooled QC samples, relatively few reported the use of pooled QC samples to improve data quality. This demonstrates a clear opportunity for the field to more frequently utilize pooled QC samples for quality reporting, feature filtering, analytical drift correction, and metabolite annotation. Additionally, our survey approach enabled us to assess the ambiguity in the reporting of the methods used to describe the generation and use of pooled QC samples. This analysis indicates that many details of the QC framework are missing or unclear, limiting the reader's a

In rosé wines, colour influences consumer preferences and oenological trends. In this study, we propose an alternative approach employing Torulaspora delbrueckii (Td) as a biotechnological tool for colour modulation, coupled with its potential to enhance malolactic fermentation (MLF), necessary in certain rosé wines. Sequential alcoholic fermentations (AF) were conducted using Cabernet Sauvignon grape must, with inoculations of Torulaspora delbrueckii (Td) and Saccharomyces cerevisiae (Sc). Subsequently, different strains of Oenococcus oeni were employed to carry out MLF on the resulting rosé wines, allowing us to assess the impact of Td strains under these conditions. The formation of anthocyanins and pyranoanthocyanins depended on the specific strains of Td used, resulting in wines with varying hues, ranging from a more yellowish tone (Td + ScQ) to a bluish tone (Td + ScK1). Additionally, the performance of MLF displayed a positive synergy between Td and Oenococcus oeni, with outcomes varying depending on the strain combinations employed. In conclusion, this research highlights the potential of reducing total anthocyanins while maintaining a higher proportion of pyranoanthocyanins, offering an interesting technique for rosé wines with a lighter color intensity. This approach aligns well with evolving oenological trends, as certain regions prefer such rosé wine type

Several epidemiological studies stress the association between a diet based on high fruits and vegetables intake and a better health condition. However, elderly Europeans cannot manage the recommended fruits and vegetables consumption. This systematic review aims to explore the main factors related to fruits and vegetables consumption in elderly Europeans. We conducted literature searches on Medline, Scopus, and Web of Science from inception to May 2022. Published articles including data related to certain fruits and vegetables consumption among elderly Europeans were selected. The New Castle-Ottawa Scale and National Heart, Lung, and Blood Institute tools were used for methodological quality assessment by two authors independently. A total of 60 articles were retrieved, and data from twenty-one high-quality cross-sectional studies and five moderate-to-high-quality cohort studies, including a total of 109,516 participants, were synthesized. Associated factors mostly analyzed were those relating to demographic and socioeconomic status, such as sex, age, marital status, educational level, and income. However, the findings show a high discrepancy. Some evidence suggests a possible positive association, while other evidence shows an inverse or no association at all. The relationship between demographic and socioeconomic factors with fruits and vegetables consumption is not at all clear. More epidemiological studies with an appropriate design and corresponding statistical methods are required.

Hypertriglyceridemia (HTG) is an independent risk factor for atherosclerotic cardiovascular disease (ASCVD). One of the multiple origins of HTG alteration is impaired lipoprotein lipase (LPL) activity, which is an emerging target for HTG treatment. We hypothesised that early, even mild, alterations in LPL activity might result in an identifiable metabolomic signature. The aim of the present study was to assess whether a metabolic signature of altered LPL activity in a preclinical model can be identified in humans. A preclinical LPL-dependent model of HTG was developed using a single intraperitoneal injection of poloxamer 407 (P407) in male Wistar rats. A rat metabolomics signature was identified, which led to a predictive model developed using machine learning techniques. The predictive model was applied to 140 humans classified according to clinical guidelines as (1) normal, less than 1.7 mmol/L; (2) risk of HTG, above 1.7 mmol/L. Injection of P407 in rats induced HTG by effectively inhibiting plasma LPL activity. Significantly responsive metabolites (i.e. specific triacylglycerols, diacylglycerols, phosphatidylcholines, cholesterol esters and lysophospholipids) were used to generate a predictive model. Healthy human volunteers with the impaired predictive LPL signature had statistically higher levels of TG, TC, LDL and APOB than those without the impaired LPL signature. The application of predictive metabolomic models based on mechanistic preclinical research may be considered as a strategy to stratify subjects with HTG of different origins. This approach may be of interest for precision medicine and nutritional approaches.© 2023. The Author(s).

Perylenediimide molecules constitute a family of chromophores that undergo singlet fission, a process in which an excited singlet state converts into lower energy triplets on two neighboring molecules, potentially increasing the efficiency of organic solar cells. Here, the nonorthogonal configuration interaction method is applied to study the effect of the different crystal packing of various perylenediimide derivatives on the relative energies of the singlet and triplet states, the intermolecular electronic couplings, and the relative rates for singlet fission. The analysis of the wave functions and electronic couplings reveals that charge transfer states play an important role in the singlet fission mechanism. Dimer conformations where the PDI molecules are at large displacements along the long axis and short on the short axis are posed as the most favorable for singlet fission. The role of the substituent at the imide group has been inspected concluding that, although it has no effect in the energies, for some conformations it significantly influences the electronic couplings, and therefore, replacing this substituent with hydrogen may introduce artifacts in the computational modeling of the PDI molecules.

Although most of the analytical methods developed for the monitoring of contaminants in environmental waters are based on discrete grab sampling, an alternative of increasing interest is the use of passive sampling. Methods based on passive sampling provide the sampling and pre-concentration of the analytes in-situ, which makes the sample treatment less time consuming and costly than using discrete grab sampling. In this study, ceramic passive samplers (CPSs) using mixed-mode strong cation-exchange sorbent (Oasis MCX) as retention phase were evaluated for the determination of a group of 21 therapeutic and illicit drugs and some of their metabolites in river water samples that were determined by liquid chromatography-tandem mass spectrometry. After assessing the stability of the analytes, the CPSs were calibrated for 9 days with bottled water and river water, obtaining, for the 19 stable compounds, sample rates (Rs) ranging between 0.180 and 1.767 mL/day and diffusion coefficients (De) between 2.02E-8 and 2.81E-7 cm2/s. Once calibrated, CPSs were deployed for the determination of contaminants in the Ebre River, with good reproducibility, and some of the analytes were determined, including amongst others, gabapentin at 76 ng/L, caffeine at 203 ng/L or diclofenac amine at 57 ng/L. The passive sampling method herein presented is simple and feasible and allows the time-integrated analysis of pharmaceuticals and drugs at trace levels in river water. This study opens the possibility of using other mixed-mode sorbents or other types of sorbents as retaining phase on CPSs for the determination of very polar contaminants in water.

This research presents the novel synthesis of CeO2 nanostructures (NSs) doped with a fixed amount of capping agent (polyacrylic acid-PAA) and different concentrations (0.01 and 0.03) of silver (Ag). This work aimed to examine the catalytic and antibacterial efficacy with evidential molecular docking analysis of Ag/PAA doped CeO2. Systematic characterization was used to analyze the effect of Ag and a capping agent on crystal structure, morphology, absorbance wavelength, and the exciton recombination rate of CeO2. The silver metal and capping agent (PAA) were added into CeO2 to reduce the size of NSs, enhancing the catalytic efficacy. These binary dopants (Ag-PAA) based CeO2 revealed remarkable results for catalytic de-colorization of rhodamine B dye and antimicrobial potential as the dopants provide more active sites. Notably, (0.03) Ag/PAA doped CeO2 NSs exhibited a substantial catalytic reduction (98.9%) of rhodamine B dye in an acidic medium. The higher doped CeO2 revealed a significant inhibition zone (3.75 mm) against Escherichia coli at maximal concentration. Furthermore, in silico docking showed the possible inhibitory impact of produced nanomaterials on the fatty acid biosynthesis enzymes FabI and FabH.