Scaling-Up Microwave-Assisted Synthesis of Highly Defective Pd@UiO-66-NH2 Catalysts for Selective Olefin Hydrogenation under Ambient Conditions.

The need to develop green and cost-effective industrial catalytic processes has led to growing interest in preparing more robust, efficient, and selective heterogeneous catalysts at a large scale. In this regard, microwave-assisted synthesis is a fast method for fabricating heterogeneous catalysts (including metal oxides, zeolites, metal-organic frameworks, and supported metal nanoparticles) with enhanced catalytic properties, enabling synthesis scale-up. Herein, the synthesis of nanosized UiO-66-NH2 was optimized via a microwave-assisted hydrothermal method to obtain defective matrices essential for the stabilization of metal nanoparticles, promoting catalytically active sites for hydrogenation reactions (760 kg·m-3·day-1 space time yield, STY). Then, this protocol was scaled up in a multimodal microwave reactor, reaching 86% yield (ca. 1 g, 1450 kg·m-3·day-1 STY) in only 30 min. Afterward, Pd nanoparticles were formed in situ decorating the nanoMOF by an effective and fast microwave-assisted hydrothermal method, resulting in the formation of Pd@UiO-66-NH2 composites. Both the localization and oxidation states of Pd nanoparticles (NPs) in the MOF were achieved using high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) and X-ray photoelectron spectroscopy (XPS), respectively. The optimal composite, loaded with 1.7 wt % Pd, exhibited an extraordinary catalytic activity (>95% yield, 100% selectivity) under mild conditions (1 bar H2, 25 °C, 1 h reaction time), not only in the selective hydrogenation of a variety of single alkenes (1-hexene, 1-octene, 1-tridecene, cyclohexene, and tetraphenyl ethylene) but also in the conversion of a complex mixture of alkenes (i.e., 1-hexene, 1-tridecene, and anethole). The results showed a powerful interaction and synergy between the active phase (Pd NPs) and the catalytic porous scaffold (UiO-66-NH2), which are essential for the selectivity and recyclability.

Clinical comparison of a handheld cardiac ultrasound device for the assessment of left ventricular function.

PURPOSE: Recently developed handheld ultrasound devices (HHUD) represent a promising method to evaluate the cardiovascular abnormalities at the point of care. However, this technology has not been rigorously evaluated. The aim of this study was to explore the correlation and the agreement between the LVEF (Left Ventricular Ejection Fraction) visually assessed by a moderately experienced sonographer using an HHUD compared to the routine LVEF assessment performed at the Echocardiography Laboratory. METHODS: This was a prospective single center study which enrolled 120 adult inpatients and outpatients referred for a comprehensive Echocardiography (EC). RESULTS: The mean age of the patients was 69.9 ± 12.5 years. There were 47 females (39.2%). The R-squared was r 0.94 (p < 0.0001) and the ICC was 0.93 (IC 95% 0.91-0.95, p ≤ 0.0001). The Bland-Altman plot showed limits of agreement (LOA): Upper LOA 10.61 and Lower LOA - 8.95. The overall agreement on the LVEF assessment when it was stratified as "normal" or "reduced" was 89.1%, with a kappa of 0.77 (p < 0.0001). When the LVEF was classified as "normal", "mildly reduced", "moderately reduced", or "severely reduced," the kappa was 0.77 (p < 0.0001). The kappa between the HHUD EC and the comprehensive EC for the detection of RWMAs in the territories supplied by the LAD, LCX and RCA was 0.85, 0.73 and 0.85, respectively. CONCLUSION: With current HHUD, an averagely experienced operator can accurately bedside visual estimate the LVEF. This may facilitate the incorporation of this technology in daily clinical practice improving the management of patients.

Host space, not energy or symbiont size, constrains feather mite abundance across passerine bird species.

Comprehending symbiont abundance among host species is a major ecological endeavour, and the metabolic theory of ecology has been proposed to understand what constrains symbiont populations. We parameterized metabolic theory equations to investigate how bird species' body size and the body size of their feather mites relate to mite abundance according to four potential energy (uropygial gland size) and space constraints (wing area, total length of barbs and number of feather barbs). Predictions were compared with the empirical scaling of feather mite abundance across 106 passerine bird species (26,604 individual birds sampled), using phylogenetic modelling and quantile regression. Feather mite abundance was strongly constrained by host space (number of feather barbs) but not by energy. Moreover, feather mite species' body size was unrelated to the body size of their host species. We discuss the implications of our results for our understanding of the bird-feather mite system and for symbiont abundance in general.

Simultaneous removal of brominated and chlorinated species during the production of oils by e-waste plastics catalytic hydropyrolysis.

The production of added-value chemicals via pyrolysis of plastic wastes, such as those from electrical and electronic equipment (WEEE), needs addressing their usual contamination with halogens (mainly Br and Cl). This work compares the conversion via pyrolysis and hydropyrolysis of a real WEEE plastic, having a complex composition, in two different reactor configurations: down-flow (DF) and up-flow (UF). Likewise, the effects of incorporating a Pd/Al2O3 catalyst and using two different pressures (1 and 6 bar) have been assessed. With the DF mode, pyrolysis at 1 bar leads to an oil yield above 80 wt% and a total halogen content of about 600 ppm (vs 1600 ppm in the water-washed WEEE plastic). Under DF catalytic hydropyrolysis at 6 bar, this high oil yield is maintained while its dehalogenation degree is improved (142 ppm). Operating with the up-flow configuration, under 6 bar and H2 presence, leads to some reduction in the oil yield (about 70 wt%) but significantly decreases the oil halogen content (55 ppm Cl and total elimination of Br). These results have been related to the slower pyrolysis and longer residence time in the thermal zone of the UF configuration, which favours the halogen-trapping effect of the char fraction, and the pressure-enhanced hydrodehalogenation activity of the catalyst. This study highlights the environmental benefits of the proposed process, emphasizing the lower halogen content in the resulting oils and promoting a more sustainable approach to plastic waste valorisation.

FooDrugs: a comprehensive food-drug interactions database with text documents and transcriptional data.

Food-drug interactions (FDIs) occur when a food item alters the pharmacokinetics or pharmacodynamics of a drug. FDIs can be clinically relevant, as they can hamper or enhance the therapeutic effects of a drug and impact both their efficacy and their safety. However, knowledge of FDIs in clinical practice is limited. This is partially due to the lack of resources focused on FDIs. Here, we describe FooDrugs, a database that centralizes FDI knowledge retrieved from two different approaches: a natural processing language pipeline that extracts potential FDIs from scientific documents and clinical trials and a molecular similarity approach based on the comparison of gene expression alterations caused by foods and drugs. FooDrugs database stores a total of 3 430 062 potential FDIs, with 1 108 429 retrieved from scientific documents and 2 321 633 inferred from molecular data. This resource aims to provide researchers and clinicians with a centralized repository for potential FDI information that is free and easy to use. Database URL:  https://zenodo.org/records/8192515 Database DOI:  https://doi.org/10.5281/zenodo.6638469.

Advancing microbiome research with machine learning: key findings from the ML4Microbiome COST action.

The rapid development of machine learning (ML) techniques has opened up the data-dense field of microbiome research for novel therapeutic, diagnostic, and prognostic applications targeting a wide range of disorders, which could substantially improve healthcare practices in the era of precision medicine. However, several challenges must be addressed to exploit the benefits of ML in this field fully. In particular, there is a need to establish "gold standard" protocols for conducting ML analysis experiments and improve interactions between microbiome researchers and ML experts. The Machine Learning Techniques in Human Microbiome Studies (ML4Microbiome) COST Action CA18131 is a European network established in 2019 to promote collaboration between discovery-oriented microbiome researchers and data-driven ML experts to optimize and standardize ML approaches for microbiome analysis. This perspective paper presents the key achievements of ML4Microbiome, which include identifying predictive and discriminatory 'omics' features, improving repeatability and comparability, developing automation procedures, and defining priority areas for the novel development of ML methods targeting the microbiome. The insights gained from ML4Microbiome will help to maximize the potential of ML in microbiome research and pave the way for new and improved healthcare practices.

Insularity determines nestling sex ratio variation in Egyptian vulture populations.

Variation in offspring sex ratio, particularly in birds, has been frequently studied over the last century, although seldom using long-term monitoring data. In raptors, the cost of raising males and females is not equal, and several variables have been found to have significant effects on sex ratio, including food availability, parental age, and hatching order. Sex ratio differences between island populations and their mainland counterparts have been poorly documented, despite broad scientific literature on the island syndrome reporting substantial differences in population demography and ecology. Here, we assessed individual and environmental factors potentially affecting the secondary sex ratio of the long-lived Egyptian vulture Neophron percnopterus. We used data collected from Spanish mainland and island populations over a ca. 30-year period (1995-2021) to assess the effects of insularity, parental age, breeding phenology, brood size, hatching order, type of breeding unit (pairs vs. trios), and spatial and temporal variability on offspring sex ratio. No sex bias was found at the population level, but two opposite trends were observed between mainland and island populations consistent with the island syndrome. Offspring sex ratio was nonsignificantly female-biased in mainland Spain (0.47, n = 1112) but significantly male-biased in the Canary Islands (0.55, n = 499), where a male-biased mortality among immatures could be compensating for offspring biases and maintaining a paired adult sex ratio. Temporal and spatial variation in food availability might also have some influence on sex ratio, although the difficulties in quantifying them preclude us from determining the magnitude of such influence. This study shows that insularity influences the offspring sex ratio of the Egyptian vulture through several processes that can affect island and mainland populations differentially. Our research contributes to improving our understanding of sex allocation theory by investigating whether sex ratio deviations from parity are possible as a response to changing environments comprised by multiple and complexly interrelated factors.

Synthesis of Dendritic ZSM-5 Zeolite through Micellar Templating Controlled by the Amphiphilic Organosilane Chain Length.

The synthesis of ZSM-5 zeolites by hydrothermal crystallization of protozeolitic nanounits functionalized with amphiphilic organosilanes of different chain length (Cn-N(CH3)2-(CH2)3-Si-(OCH3)3, n = 10, 14, 18 and 22) has been investigated. Well-developed dendritic nanoarchitectures were achieved when using C14 and C18 organosilanes, exhibiting a radial and branched pattern of zeolitic nanounits aggregates. In contrast, although C10 and C22 organosilanes led to materials with hierarchical porosity, they lack of dendritic features. These differences have been linked to the formation of an amorphous mesophase at the gel preparation stage for the C14 and C18 samples, in which the surfactant micelles are covalently connected with the protozeolitic nanounits through siloxane bonds. The presence of the dendritic nanostructure positively impacts both the textural and catalytic properties of ZSM-5 zeolite. Thus, ZSM-5 (C14) and ZSM-5 (C18) samples exhibit the largest contribution of mesoporosity in terms of both surface area and pore volume. On the other hand, when tested as catalysts in the aldol condensation of furfural with cyclopentanone, which is an interesting reaction for the production of sustainable jet fuels, the highest catalytic activity is attained over the dendritic ZSM-5 materials due to their remarkable accessibility and balanced Brønsted/Lewis acidity.

Influence of physical fitness and weight status on autonomic cardiac modulation in children.

BACKGROUND: This study provides reference values for cardiovascular modulation at rest, during maximal exercise test and recovery after exercise in Caucasian children according to weight status and cardiorespiratory fitness (CRF) level. Additionally, the current study analyzed several correlations between autonomic cardiovascular modulation, cardiorespiratory performance and cardiometabolic risk. The principal goal of this study was to analyze cardiac function at rest, during maximum exercise, and during the recovery phase in children grouped according to weight status and CRF level. METHODS: One hundred and fifty-two healthy children (78 girls) 10-16 years of age were divided into three groups: soccer and basketball players (SBG), endurance group (EG), and sedentary people with overweight and obesity (OOG). A cardiac RR interval monitor recorded the cardiac data and specific software analyzed the cardiac autonomic response through heart rate (HR) and HR variability. The study analyzed resting HR (RHR), HRpeak, and HR recovery (HRR). RESULTS: OOG showed significant poorer performance in the Léger test lower V̇O2 max and higher values of blood pressure at rest and post-exercise than sport groups. The EG presented the best results in CRF and cardiometabolic risk (CMR) in relation to SBG and OOG. The OOG showed higher percentage of HR values, compatible with an unhealthy cardiovascular autonomic modulation than the sport groups, with significant differences in bradycardia, HR reserve, and HRR 5 min. CONCLUSIONS: Aerobic performance, vagal activity, blood pressure, chronotropic competence, and HRR have significant associations with CMR parameters. IMPACT: The current study presents reference values of autonomic cardiac function in Caucasian children according to weight status and cardiorespiratory fitness level. Aerobic performance, vagal activity, blood pressure, chronotropic competence, and heart rate during the recovery period after exercise have significant associations with cardiometabolic risk parameters. Children with overweight and obesity show signs of autonomic dysfunction reflected as low cardiac vagal activity and poor chronotropic competence.

Removal of NO at low concentrations from polluted air in semi-closed environments by activated biochars from renewables feedstocks.

Efficient measures are urgently required in large cities for nitric oxide (NO) elimination from air in urban semi-closed environments (parking lots and tunnels), characterized by low NO concentrations (<10 ppmv) and temperatures. One of the most promising abatement alternatives is the NO oxidation to NO2, which can be further easily captured in an alkali solution or over a porous solid. However, most of the research devoted to this topic is focused on the elimination of NO from fuel exhaust gases, with high NO concentrations (400-2000 ppmv). In this work, sustainable and low-cost activated biochars of different origin and having very different ash contents were employed in NO removal at very low concentrations. Thus, low ash content forestry (oak woodchips, OAK) and high ash content from agriculture (oilseed rape straw, OSR) biochars were subjected to physical activation with CO2 at 900 °C (OAK550-A900CO2 and OSR700-A900CO2, respectively). The NO removal performance tests of such activated carbons were carried out at different experimental conditions: i.e., temperature, relative humidity (0-50 vol% RH), NO-containing gas (N2 or air), amount of activated carbon, and NO concentration, to assess how the activated biochar properties influence their NO removal capacity. The sample OSR700-A900CO2 contained a higher population of oxygen surface functionalities, which might play an important role in the NO removal efficiency in dry conditions since they could assist NO oxidation on carbon active sites when used above room temperature (50-75 °C). However, at room temperature (25 °C), the presence of narrow micropore size distribution at 6 Å became a more relevant property, since it facilitates an intimate contact between NO and O2. Accordingly, the activated biochar from OAK was much more efficient, achieving complete removal of NO from air flow (dry or with 50 vol% RH) at 25 °C during 400 min of testing, making it an ideal candidate as biofilter for purifying air streams of semi-closed spaces contaminated with low concentrations of NO.

Removal of NO at low concentration from air in urban built environments by activated miscanthus biochar.

This work presents an innovative and sustainable approach to remove NO emissions from urban ambient air in confined areas (underground parking areas or tunnels) using low-cost activated carbons obtained from Miscanthus biochar (MSP700) by physical activation (with CO2 or steam) at temperatures ranging from 800 to 900 °C. The NO removal capacity of the activated biochars was evaluated under different conditions (temperature, humidity and oxygen concentration) and compared against a commercial activated carbon. This last material showed a clear dependence on oxygen concentration and temperature, exhibiting a maximum capacity of 72.6% in air at 20 °C, whilst, its capacity notably decreased at higher temperatures, revealing that physical NO adsorption is the limiting step for the commercial sample that presents limited oxygen surface functionalities. In contrast, MSP700-activated biochars reached nearly complete NO removal (99.9%) at all tested temperatures in air ambient. Those MSP700-derived carbons only required low oxygen concentration (4 vol%) in the gas stream to achieve the full NO removal at 20 °C. Moreover, they also showed an excellent performance in the presence of H2O, reaching NO removal higher than 96%. This remarkable activity results from the abundance of basic oxygenated surface groups, which act as active sites for NO/O2 adsorption, along with the presence of a homogeneous microporosity of 6 Å, which enables intimate contact between NO and O2. These features promote the oxidation of NO to NO2, which is further retained over the carbon surface. Therefore, the activated biochars studied here could be considered promising materials for the efficient removal of NO at low concentrations from air at moderate temperatures, thus closely approaching real-life conditions in confined spaces.

Large-scale movement patterns in a social vulture are influenced by seasonality, sex, and breeding region.

Quantifying space use and segregation, as well as the extrinsic and intrinsic factors affecting them, is crucial to increase our knowledge of species-specific movement ecology and to design effective management and conservation measures. This is particularly relevant in the case of species that are highly mobile and dependent on sparse and unpredictable trophic resources, such as vultures. Here, we used the GPS-tagged data of 127 adult Griffon Vultures Gyps fulvus captured at five different breeding regions in Spain to describe the movement patterns (home-range size and fidelity, and monthly cumulative distance). We also examined how individual sex, season, and breeding region determined the cumulative distance traveled and the size and overlap between consecutive monthly home-ranges. Overall, Griffon Vultures exhibited very large annual home-range sizes of 5027 ± 2123 km2, mean monthly cumulative distances of 1776 ± 1497 km, and showed a monthly home-range fidelity of 67.8 ± 25.5%. However, individuals from northern breeding regions showed smaller home-ranges and traveled shorter monthly distances than those from southern ones. In all cases, home-ranges were larger in spring and summer than in winter and autumn, which could be related to difference in flying conditions and food requirements associated with reproduction. Moreover, females showed larger home-ranges and less monthly fidelity than males, indicating that the latter tended to use the similar areas throughout the year. Overall, our results indicate that both extrinsic and intrinsic factors modulate the home-range of the Griffon Vulture and that spatial segregation depends on sex and season at the individual level, without relevant differences between breeding regions in individual site fidelity. These results have important implications for conservation, such as identifying key threat factors necessary to improve management actions and policy decisions.

Cuantificar el uso y la segregación del espacio, así como los factores extrínsecos e intrínsecos que los afectan, es crucial para aumentar nuestro conocimiento de la ecología de movimientos de cada especie y diseñar medidas eficaces de gestión y conservación. Esto es especialmente relevante en el caso de especies con gran movilidad y dependientes de recursos tróficos escasos e impredecibles, como son los buitres. En este trabajo se utilizaron datos GPS de 127 buitres leonados Gyps fulvus adultos capturados en cinco regiones de cría diferentes en España para describir los patrones de movimiento (tamaño y fidelidad del área de campeo y distancia acumulada mensual). También examinamos cómo el sexo, la estación del año y la región de cría determinaban la distancia acumulada recorrida y el tamaño y solapamiento entre áreas de campeo mensuales consecutivas. En conjunto, los buitres leonados mostraron un área de campeo anual muy extensa de 5027 ± 2123 km2, una distancia acumulada mensual media de 1776 ± 1497 km y una fidelidad mensual al área de campeo del 67.8 ± 25.5%. Sin embargo, los individuos de las regiones de cría más septentrionales mostraron áreas de campeo más pequeñas y recorrieron distancias mensuales más cortas que los de las más meridionales. En todos los casos, las áreas de campeo fueron mayores en primavera y verano que en otoño e invierno, lo que podría estar relacionado con las diferencias en las condiciones de vuelo y las necesidades tróficas asociadas a la reproducción. Además, las hembras mostraron mayores áreas de campeo y menor fidelidad mensual que los machos, lo que indica que estos últimos tienden a utilizar zonas similares durante todo el año. En conjunto, nuestros resultados indican que tanto los factores extrínsecos como los intrínsecos modulan el área de campeo del buitre leonado y que la segregación espacial depende del sexo y de la estación a nivel individual, sin que existan diferencias relevantes entre las regiones de cría en cuanto a la fidelidad individual al lugar. Estos resultados podrían tener importantes implicaciones para la conservación, como la identificación de los principales factores necesarios para mejorar las medidas de gestión y las decisiones políticas.

Cost-Effectiveness of Screening for Open Angle Glaucoma Compared With Opportunistic Case Finding.

PRCIS: The manuscript evaluates cost-effectiveness of glaucoma screening with imaging devices and telemedicine based on a screening campaign performed in Spain. The screening strategy implemented in our analysis was cost-effective compared with opportunistic case finding. INTRODUCTION: Open angle glaucoma is an asymptomatic ocular disease that represents one of the first causes of blindness. Diagnosis is currently made by opportunistic case finding, usually by community optometrists or general ophthalmologists. The aim of this study was to assess the cost-effectiveness of a screening strategy based on optical coherence tomography and fundus photographs in glaucoma detection. MATERIALS AND METHODS: A cost-effectiveness analysis was carried out to compare 2 alternative strategies: opportunistic finding versus screening. A Markov tree model was carried out with 10 health states according to disease progression. Quality-adjusted life years (QALYs) were used as a measure of effectiveness. We included short-term and long-term direct health costs and a discount rate of 3%. We performed a probabilistic sensitivity analysis and several 1-way sensitivity analyses. RESULTS: The cohort in the screening program entailed an increase in 0.097 QALYs and additional costs of €1187 versus opportunistic finding, with an incremental cost-effectiveness ratio of about €12.214/QALY. The 1-way sensitivity analysis showed that inputs related to age and screening program (cost and detection rate) were those most strongly influencing the results of the analysis. Probabilistic sensitivity analyses showed that the model was robust to significant changes in the main variables of the analysis. CONCLUSIONS: The screening strategy implemented in our analysis was cost-effective compared with opportunistic finding in patients with glaucoma in this Spanish setting.

Modeling the potential efficiency of a blood biomarker-based tool to guide pre-hospital thrombolytic therapy in stroke patients.

OBJECTIVES: Stroke treatment with intravenous tissue-type plasminogen activator (tPA) is effective and efficient, but as its benefits are highly time dependent, it is essential to treat the patient promptly after symptom onset. This study evaluates the cost-effectiveness of a blood biomarker test to differentiate ischemic and hemorrhagic stroke to guide pre-hospital treatment with tPA in patients with suspected stroke, compared with standard hospital management. The standard care for patients suffering stroke consists mainly in diagnosis, treatment, hospitalization and monitoring. METHODS: A Markov model was built with four health states according to the modified Rankin scale, in adult patients with suspected moderate to severe stroke (NIHSS 4-22) within 4.5 hours after symptom onset. A Spanish Health System perspective was used. The time horizon was 15 years. Quality-adjusted life-years (QALYs) and life-years gained (LYGs) were used as a measure of effectiveness. Short- and long-term direct health costs were included. Costs were expressed in Euros (2022). A discount rate of 3% was used. Probabilistic sensitivity analysis and several one-way sensitivity analyses were conducted. RESULTS: The use of a blood-test biomarker compared with standard care was associated with more QALYs (4.87 vs. 4.77), more LYGs (7.18 vs. 7.07), and greater costs (12,807€ vs. 12,713€). The ICER was 881€/QALY. Probabilistic sensitivity analysis showed that the biomarker test was cost-effective in 82% of iterations using a threshold of 24,000€/QALY. CONCLUSIONS: The use of a blood biomarker test to guide pre-hospital thrombolysis is cost-effective compared with standard hospital care in patients with ischemic stroke.

Analysis of Healthcare Costs Incurred in Regional Hospitals in Andalusia (Spain) during the COVID-19 Pandemic.

(1) Background: The global health crisis caused by the coronavirus disease (COVID-19) pandemic has led to extreme overloading of different public healthcare systems worldwide. The Spanish Public Healthcare System is one of them. This study aimed to conduct a comparative cost analysis to assess the impact of the COVID-19 pandemic on small- and medium-sized regional hospitals in Andalusia (Spain). (2) Methods: This comparative, multicentre, observational, and retrospective study was designed to perform a comparative cost analysis between the Alto Guadalquivir Health Agency (AGHA) and Poniente University Hospital (PUH), both of which belong to the Spanish Public Health System (PHS). The data included in this study corresponds to the total costs by area and year incurred by the 61,335 patients from both healthcare institutions (AGHA = 36,110; PUH = 25,225) in the areas of hospital emergency service (HES), hospitalisation, and intensive care unit (ICU), during the 24 months of the study period (from 1 January 2019 to 31 December 2020). (3) Results: The analysis results showed a significant increase in costs incurred in 2020 for HES relative to those incurred in 2019 for both AGHA (+14%; p < 0.003) and PUH (+36%; p = 0.002). Additionally, costs incurred for ICU increased significantly in 2020 relative to those incurred in 2019 for both AGHA (+30%; p = 0.003) and PUH (+46%; p = 0.002). Hospitalisation costs for AGHA also increased significantly (+9%; p < 0.012) in 2020 versus those obtained in 2019; however, no significant differences were found for PUH (+6%; p = 1) in the same period analysed. However, the number of patients treated in the areas of HES, hospitalisation, and ICU was significantly reduced throughout 2020 compared to 2019. (4) Conclusions: Our findings show that the costs incurred during 2020 in the regional hospitals of Andalusia (Spain) increased significantly in most of the parameters analysed relative to those incurred in the year before the pandemic (i.e., 2019).

Protect European green agricultural policies for future food security.

European green agricultural policies have been relaxed to allow cultivation of fallow land to produce animal feed and meet shortfalls in exports from Ukraine and Russia. However, conversion of semi-natural habitats will disproportionately impact long term biodiversity and food security.

Monitoring detailed mangrove hurricane damage and early recovery using multisource remote sensing data.

Due to their location in tropical latitudes, mangrove forests are susceptible to the impact of hurricanes and can be vastly damaged by their high-speed winds. Given the logistic difficulties regarding field surveys in mangroves, remote sensing approaches have been considered a reliable alternative. We quantified trends in damage and early signs of canopy recovery in a fringe Rhizophora mangle area of Marismas Nacionales, Mexico, following the landfall of Hurricane Willa in October 2018. We monitored (2016-2021) broad canopy defoliation using 21 vegetation indices (VI) from the Google Earth Engine tool (GEE). We also mapped a detailed canopy fragmentation and developed digital surface models (DSM) during five study periods (2018-2021) with a consumer-grade unmanned aerial vehicle (UAV) over an area of 100 ha. Based on optical data from the GEE time series, results indicated an abrupt decline in the overall mangrove canopy. The VARI index was the most reliable VI for the mangrove canopy classification from a standard RGB sensor. The impact of the hurricane caused an overall canopy defoliation of 79%. The series of UAV orthomosaics indicate a gradual recovery in the mangrove canopy, while the linear model predicts at least 8.5 years to reach pre-impact mangrove cover conditions. However, the sequence of DSM estimates that the vertical canopy configuration will require a longer time to achieve its original structure.

Structural Protein Effects Underpinning Cognitive Developmental Delay of the PURA p.Phe233del Mutation Modelled by Artificial Intelligence and the Hybrid Quantum Mechanics-Molecular Mechanics Framework.

A whole-exome capture and next-generation sequencing was applied to an 11 y/o patient with a clinical history of congenital hypotonia, generalized motor and cognitive neurodevelopmental delay, and severe cognitive deficit, and without any identifiable Syndromic pattern, and to her parents, we disclosed a de novo heterozygous pathogenic mutation, c.697_699del p.Phe233del (rs786204835)(ACMG classification PS2, PM1, PM2, PP5), harbored in the PURA gene (MIM*600473) (5q31.3), associated with Autosomal Dominant Mental Retardation 31 (MIM # 616158). We used the significant improvement in the accuracy of protein structure prediction recently implemented in AlphaFold that incorporates novel neural network architectures and training procedures based on the evolutionary, physical, and geometric constraints of protein structures. The wild-type (WT) sequence and the mutated sequence, missing the Phe233, were reconstructed. The predicted local Distance Difference Test (lDDT) for the PURAwt and the PURA-Phe233del showed that the occurrence of the Phe233del affects between 220-320 amino acids. The distortion in the PURA structural conformation in the ~5 Å surrounding area after the p.Phe233del produces a conspicuous disruption of the repeat III, where the DNA and RNA helix unwinding capability occurs. PURA Protein-DNA docking corroborated these results in an in silico analysis that showed a loss of the contact of the PURA-Phe233del III repeat domain model with the DNA. Together, (i) the energetic and stereochemical, (ii) the hydropathic indexes and polarity surfaces, and (iii) the hybrid Quantum Mechanics-Molecular Mechanics (QM-MM) analyses of the PURA molecular models demarcate, at the atomic resolution, the specific surrounding region affected by these mutations and pave the way for future cell-based functional analysis. To the best of our knowledge, this is the first report of a de novo mutation underpinning a PURA syndrome in a Latin American patient and highlights the importance of predicting the molecular effects in protein structure using artificial intelligence algorithms and molecular and atomic resolution stereochemical analyses.

New Insight into Sorption Cycling Stability of Three Al-Based MOF Materials in Water Vapour.

Three porous aluminium benzene-1,3,5-tricarboxylates MIL-96(Al), MIL-100(Al) and MIL-110(Al) materials were studied for their hydrothermal stability. The 40-cycles water vapour sorption experiments for the three samples were performed by varying the temperature between 40 and 140 °C at 75% relative humidity to simulate working conditions for materials used in water sorption-based low-T heat storage and reallocation applications. The materials were characterized by powder X-ray diffraction, N2 physisorption, and Nuclear Magnetic Resonance and Infrared spectroscopies before and after the cycling tests. The results showed that the structure of MIL-110(Al) lost its crystallinity and porosity under the tested conditions, while MIL-96(Al) and MIL-100(Al) exhibited excellent hydrothermal stability. The selection of structures, which comprise the same type of metal and ligand, enabled us to attribute the differences in stability primarily to the known variances in secondary building units and the shielding of potential water coordination sites due to the differences in pore accessibility for water molecules. Additionally, our results revealed that water adsorption and desorption at tested conditions (T, RH) is very slow for all three materials, being most pronounced for the MIL-100(Al) structure.