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Objective: In this study, a series of synthetic hydroxylated (5-10) and prenylated (10-17) acetophenones, chalcones (18-20) and a flavone (21) have been synthesized and evaluated on the nematode Meloidogyne javanica. Additional phenolic compounds, including salicylic acid, isopropyl salicylate, thymol, carvacrol, cumic acid, eugenol, vanillin, and vanillic acid (22-29), were also tested. Methods: Compounds 5-21 have been synthesized by a sequence of reactions and were isolated and identified by 1H-NMR, 13C-NMR, and HRMS. The in vitro nematicidal effects of the compounds were tested on J2 juveniles. The nematicidal activity was confirmed by their egg hatching inhibition effects, tested at the minimum lethal concentration (minimum dose to give 100% J2 mortality). Results: Compounds 5-18 have been previously reported and 19-21 are described here for the first time. The 2´-hydroxylated acetophenones (5-9) showed strong nematicidal effects, being 7-9 the most active. Salicylic (22) and cumic (26) acids were effective compounds. Compounds 7, 12, 22-26, active on M. javanica J2 juveniles, were also egg hatching inhibitors. Conclusions: A C-2/C-4 dihydroxylation or C-2/C-4/C-3 trihydroxylation of the acetophenone moiety improved the activity, while introducing a hydrophilic isoprene chain (10-17) eliminated the effect, with only one prenylated acetophenone (12) being active. Among the additional phenolic compounds (22-29), these with a carboxyl group instead of the acyl side were better nematicides. These results generate molecular leads for developing new nematicidal phenolic compounds.

The deep-sea Caribbean lobster (Metanephrops binghami) and the Norway lobster (Nephrops norvegicus) are Nephropidae species of high commercial interest. Although the first one still remains unexploited, the second is overexploited in the Mediterranean Sea. For effective fisheries management, size at sexual maturity is an essential indicator to protect immature individuals from exploitation. The estimation of this indicator can, however, be biased due to the difficulty of differentiating juveniles from adults by their size structure due to the natural process of molting. This study aims to estimate the size at sexual maturity of M. binghami and N. norvegicus females by comparing the effectiveness of the morphometric method versus the macroscopic evaluation of gonad maturity. Samples of M. binghami were collected from the Colombian Caribbean Sea in August and December 2009, March and May 2010, and August 2020 to May 2021. Samples of N. norvegicus were collected from the northwestern Mediterranean Sea from 2019 to 2022. Similar sizes at sexual maturity were found for M. binghami between the morphometric approach (ranging from 28.6 to 33.9 mm cephalothorax length, CL) and the gonadal staging approach (31.4 mm CL). Conversely, for N. norvegicus, the morphometric approach yielded higher measurements (between 27.2 and 30.4 mm CL) than the gonadal approach (26.0 mm CL). This discrepancy might stem from the intense fishing overexploitation conditions of N. norvergicus, leading to a physiological adaptation that enables earlier gonadal maturation at faster rates than morphometric adaptation. Further research is required to elucidate these discrepancies and the effect of overexploitation on physiological (i.e., mature gonads) and functional maturity (i.e., capacity to brood eggs at a larger size)

In the present work, the emulsification capacity of the mango kernel starch var Sugar (Sg) and Tommy (To) was investigated. Oil-in-water emulsions were elaborated with Sg and To starch. The chemical composition of the Sg and To showed significant differences (p<0.05) in the phenolic compounds, proteins and amylose content. The microstructure of the emulsions for each concentration of Sg and To (1.5, 3.5 and 6%w/v) showed a packing of the oil droplets and a reduction in their size with increasing oil content. A phase separation was observed for a Sg and To concentration of 1.5%w/v and an oil concentration of 40 and 60%v/v, indicating that there was not a good integration of the oil within the starch gel matrix. The emulsions showed pseudoplastic behaviour (n<1). The consistency index, apparent viscosity, firmness, stickiness and spreadability were higher for the emulsions prepared with the highest oil content. The results obtained provide information on the composition of Sg and To and its capacity for the stabilisation of O/W emulsions, showing an advantage over other starches, which have to be modified to improve their emulsification capacity, thus indicating the great potential of these starches for the development and formulation of new food products

The assessment of morphological mapping capacity of X-band radars is performed by comparing radar-derived shoreline estimates with in-situ data measured from DGPS-RTK surveys in Cala Millor beach (October 22–24, 2018). Radar estimates are obtained by applying an automatic method based on digital image processing, threshold segmentation and first-order derivative filters on X-Band radar variance images. The study site is covered by the endemic Posidonia oceanica seagrass meadow at the seabed. It represents a challenge on the estimation of local shoreline. Results reveal that X-band radar estimate the shoreline location with a mean bias of 4.66 m, a relative error of 2.95% and a RMSE of 14.07 m. Also, the beach morphology is assessed by the identification of surrounding rocky outcrops and a submerged sandbar. Since the obtained radar estimation errors are comparable with the reported by previous studies but using video-cameras, results reveal a potential complementary use of both marine radars and optical cameras to provide higher-resolution and more accurate shoreline measurements in a broader area.

Nanostructured electrochemical biosensors have ushered in a new era of diagnostic precision, offering enhanced sensitivity and specificity for clinical biomarker detection. Among them, capacitive biosensing enables ultrasensitive label-free detection of multiple molecular targets. However, the complexity and cost associated with conventional fabrication methods of nanostructured platforms hinder the widespread adoption of these devices. This study introduces a capacitive biosensor that leverages laser-engraved reduced graphene oxide (rGO) electrodes decorated with gold nanoparticles (AuNPs). The fabrication involves laser-scribed GO-Au3+ films, yielding rGO-AuNP electrodes, seamlessly transferred onto a PET substrate via a press-stamping methodology. These electrodes have a remarkable affinity for biomolecular recognition after being functionalized with specific bioreceptors. For example, initial studies with human IgG antibodies confirm the detection capabilities of the biosensor using electrochemical capacitance spectroscopy. Furthermore, the biosensor can quantify CA-19-9 glycoprotein, a clinical cancer biomarker. The biosensor exhibits a dynamic range from 0 to 300 U mL−1, with a limit of detection of 8.9 U mL−1. Rigorous testing with known concentrations of a pretreated CA-19-9 antigen from human fluids confirmed their accuracy and reliability in detecting the glycoprotein. This study signifies notable progress in capacitive biosensing for clinical biomarkers, potentially leading to more accessible and cost-effective point-of-care solutions.

Mean wave energy flux (hereinafter WEF) is assessed in the Caribbean Sea from a 60-year (1958–2017) wave hindcast. We use a novel approach, based on neural networks, to identify coherent regions of WEF and their association with different climate patterns. This method allows for a better evaluation of the underlying dynamics behind seasonal and inter-annual WEF variability, including the effect induced by the latitudinal migration of the Intertropical Convergence Zone (ITCZ) and the influence of El Niño-Southern Oscillation (ENSO) events. Results show regional differences in WEF variability likely due to both intensification and migration of the ITCZ. WEF exhibits a strong semi-seasonal signal in areas of the continental shelf, with maxima reached in January and June, in agreement with the known sea surface temperature and sea-level pressure variability patterns. At larger scales, WEF shows a significant correlation with the Oceanic Niño Index (ONI, which is the primary index for tracking the ocean part of ENSO climate pattern), depicting positive values in the central and western sides of the basin and negative ones at the eastern side.

Dengue virus (DENV) is a pathogenic arbovirus that causes human disease. The most severe stage of the disease (severe dengue) is characterized by vascular leakage, hypovolemic shock, and organ failure. Endothelial dysfunction underlies these phenomena, but the causal mechanisms of endothelial dysfunction are poorly characterized. This study investigated the role of c-ABL kinase in DENV-induced endothelial dysfunction. Silencing c-ABL with artificial miRNA or targeting its catalytic activity with imatinib revealed that c-ABL is required for the early steps of DENV infection. DENV-2 infection and conditioned media from DENV-infected cells increased endothelial expression of c-ABL and CRKII phosphorylation, promoted expression of mesenchymal markers, e.g., vimentin and N-cadherin, and decreased the levels of endothelial-specific proteins, e.g., VE-cadherin and ZO-1. These effects were reverted by silencing or inhibiting c-ABL. As part of the acquisition of a mesenchymal phenotype, DENV infection and treatment with conditioned media from DENV-infected cells increased endothelial cell motility in a c-ABL-dependent manner. In conclusion, DENV infection promotes a c-ABL-dependent endothelial phenotypic change that leads to the loss of intercellular junctions and acquisition of motility.

Mycobacterium tuberculosis (Mtb) lineage 4 is responsible for the highest burden of tuberculosis (TB) worldwide. This lineage has been the most prevalent lineage in Colombia, especially in the North-Eastern (NE) area of Medellin, where it has been shown to have a high prevalence of LAM9 SIT42 and Haarlem1 SIT62 sublineages. There is evidence that regardless of environmental factors and host genetics, differences among sublineages of Mtb strains play an important role in the course of infection and disease. Nevertheless, the genetic basis of the success of a sublineage in a specific geographic area remains uncertain. We used a pan-genome-wide association study (pan-GWAS) of 47 Mtb strains isolated from NE Medellin between 2005 and 2008 to identify the genes responsible for the phenotypic differences among high and low prevalence sublineages. Our results allowed the identification of 12 variants in 11 genes, of which 4 genes showed the strongest association to low prevalence (mmpL12, PPE29, Rv1419, and Rv1762c). The first three have been described as necessary for invasion and intracellular survival. Polymorphisms identified in low prevalence isolates may suggest related to a fitness cost of Mtb, which might reflect a decrease in their capacity to be transmitted or to cause an active infection. These results contribute to understanding the success of some sublineages of lineage-4 in a specific geographical area.

The recent COVID-19 crisis has highlighted the importance of RNA-based viruses. The most prominent members of this group are SARS-CoV-2 (coronavirus), HIV (human immunodeficiency virus), EBOV (Ebola virus), DENV (dengue virus), HCV (hepatitis C virus), ZIKV (Zika virus), CHIKV (chikungunya virus), and influenza A virus. With the exception of retroviruses which produce reverse transcriptase, the majority of RNA viruses encode RNA-dependent RNA polymerases which do not include molecular proofreading tools, underlying the high mutation capacity of these viruses as they multiply in the host cells. Together with their ability to manipulate the immune system of the host in different ways, their high mutation frequency poses a challenge to develop effective and durable vaccination and/or treatments. Consequently, the use of antiviral targeting agents, while an important part of the therapeutic strategy against infection, may lead to the selection of drug-resistant variants. The crucial role of the host cell replicative and processing machinery is essential for the replicative cycle of the viruses and has driven attention to the potential use of drugs directed to the host machinery as therapeutic alternatives to treat viral infections. In this review, we discuss small molecules with antiviral effects that target cellular factors in different steps of the infectious cycle of many RNA viruses. We emphasize the repurposing of FDA-approved drugs with broad-spectrum antiviral activity. Finally, we postulate that the ferruginol analog (18-(phthalimide-2-yl) ferruginol) is a potential host-targeted antiviral.

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.

The genus Amblyomma is the third most diverse in the number of species within the Ixodidae, with practically half of its species distributed in the Americas, though there are also species occurring in Africa, Asia, and Australia. Within the genus, there are several species complexes with veterinary and public health importance. The Amblyomma cajennense complex, in the Americas, is represented by six species with a wide distribution, from Texas to northern Argentina. We combined two sequencing techniques to generate complete mitogenomes of species belonging to the Amblyomma cajennense complex: genome skimming and long-range PCRs sequencing methods. Thus, we generated seven new mitochondrial genomes for all species of the Amblyomma cajennense complex, except for Amblyomma interandinum. Genetic distances between the mitogenomes corroborate the clear differentiation between the five species of the Amblyomma cajennense complex. The phylogenetic relationships of these species had previously been evaluated by combining partial nuclear and mitochondrial genes and here these relationships are corroborated with a more robust framework of data, which demonstrates that the conjunction of mitochondrial and nuclear partial genes can resolve close relationships when entire genes or genomes are unavailable. The gene order, structure, composition, and length are stable across these mitogenomes, and they share the general characteristics of Metastriata. Future studies should increase the number of available mitogenomes for this genus, especially for those species from the Indo-Pacific region and Africa, by means of a better understanding of their relationships and evolutionary process.

[EN] The aim of the present work was to evaluate the effectiveness of a heterogeneous photocatalyst based on TiO2 in the treatment of coal mining drainage which contains a variety of heavy metals and high concentration sulfates and sulfides. The photocatalytic behavior of the commercial reference Sigma Aldrich and the different materials synthesized using the Sol-gel methodology with surface modifications using sulfation and fluorination processes were analyzed. To find a possible correlation between the physicochemical properties of photocatalysts and their behavior, a characterization was carried out using X-Ray Diffraction (XRD), X-Ray Fluorescence spectrometry (XRF), Fourier transform infrared spectroscopy (FT–IR), UV–Vis diffuse reflectance Spectra (UV-Vis DRS), N2 physisorption, X-ray photoelectron spectroscopy (XPS), and particle size analysis. Results indicated that the modification of the TiO2 prepared in the laboratory using sulfation and fluorination allowed the successful control of the physicochemical properties of this oxide. However, commercial TiO2 showed the greatest effectiveness in removing metals such as: Fe, Cu, Cr, and As after a photocatalytic reaction for a maximum of 1 hour under continuous nitrogen flow and a light intensity of 120W/m2., [ES] El objetivo del presente trabajo fue evaluar la efectividad de la fotocatálisis heterogénea basada en T iO2 en el tratamiento de un drenaje de la minería de carbón, contaminado con una variedad de metales pesados y altas concentraciones de sulfatos y sulfuros. Se analizó el comportamiento fotocatalítico de la referencia comercial (Sigma Aldrich) y de los distintos materiales sintetizados por la metodología Sol–gel, con modificaciones en superficie por procesos de sulfatación y fluorización. Para hallar una posible correlación entre las propiedades físicoquímicas de los fotocatalizadores y su comportamiento, se realizó una amplia caracterización usando técnicas de análisis instrumental como Difracción de rayos X (DRX), Fluorescencia de rayos X (FRX), Espectroscopia infrarroja con transformada de Fourier (FT–IR), Espectrofotometría UV–Vis de reflectancia Difusa (UV–Vis DRS), Fisisorción de N2, Espectroscopia fotoelectrónica de rayos X y granulometría. En general se encontró que la modificación del T iO2 preparado en el laboratorio por sulfatación y fluorización permitió el control exitoso de las propiedades físicoquímicas de este óxido. Sin embargo, el T iO2 comercial presentó la mayor efectividad en la remoción de metales como: Fe, Cu, Cr y As, todo ello empleando un máximo de 1 hora de reacción fotocatalítica, bajo flujo continuo de nitrógeno y una intensidad de luz de 120 W/m2 .

Clay minerals are ceramics materials that are involved in a wide range of economic uses. But, their structure and composition are modified by heating and, consequently, compromise their final applications. The actual temperatures at which changes occur vary greatly from one group to another group and even for different specimens within a given group. The aim of this research has been to evaluate the thermal behaviour of a set of design swelling micas, Na-Mica-n (Mn) and compare them with a set of natural smectites. All samples were heated in the range 200 °C to 1000 °C; afterwards, they were rehydrated thorough water suspension (0.4% wt). The results have shown that swelling micas have better property of hydration/dehydration than natural clay minerals and those with higher layer charge exhibited higher rehydration ability and dehydration temperature.

La aparición de nuevas enfermedades causadas por bacterias resistentes a los tratamientos con antibióticos constituye un problema de talla mundial que afecta la salud humana, la sanidad de los animales, la ganadería, la agricultura, el comercio y por ende la economía mundial. Esta resistencia a los antibióticos se debe a diferentes factores, pero el uso indiscriminado e inapropiado de estos medicamentos es uno de los factores que más contribuye a la aparición de este fenómeno que causa un gran impacto clínico, epidemiológico y microbiológico. En el plan nacional de España frente a la resistencia a los antibióticos 2019-2021 desarrollado por el ministerio de sanidad, consumo y bienestar social y la agencia española de medicamentos y productos sanitarios (Plan Nacional frente a la Resistencia a los Antibióticos (PRAN) 2019-2021, s. f.) reportaron: que en toda Europa 35.000 personas mueren cada año a causa de las infecciones hospitalarias producidas por bacterias resistentes; y de acuerdo con los datos del registro del Conjunto Mínimo Básico de Datos (CMBD), en España alrededor de 4000 personas mueren al año por la misma causa. Si no se toman medidas de carácter urgente se estima que en 35 años las muertes en Europa por infecciones multirresistentes ascenderán 390000 casos al año y en España a 40000 muertes anuales, además la resistencia desbancará a el cáncer como primera causa de muerte. Frente a esta premisa, existen varias estrategias para abordar esta problemática; vigilancia, control, prevención, investigación, formación y comunicación. En general a nivel de investigación se busca identificar y desarrollar nuevos antibióticos e incrementar el conocimiento sobre el problema de la resistencia. Una de las líneas de estudio en nuestro grupo de investigación se basa en estudiar distintos reguladores generales de la producción de antibióticos entre los que se encuentran los TCSs y los sistemas XRE/DUF397. Los sistemas XRE/DUF397 han sido propuestos por otros autores co

Severe Acute Respiratory Syndrome CoronaVirus 2 (SARS-CoV-2) infection triggers various events from molecular to tissue level, which in turn is given by the intrinsic characteristics of each patient. Given the molecular diversity characteristic of each cellular phenotype, the possible cytopathic, tissue and clinical effects are difficult to predict, which determines the heterogeneity of COVID-19 symptoms. The purpose of this article is to provide a comprehensive review of the cytopathic effects of SARS-CoV-2 on various cell types, focusing on the development of COVID-19, which in turn may lead, in some patients, to a persistence of symptoms after recovery from the disease, a condition known as long COVID. We describe the molecular mechanisms underlying virus-host interactions, including alterations in protein expression, intracellular signaling pathways, and immune responses. In particular, the article highlights the potential impact of these cytopathies on cellular function and clinical outcomes, such as immune dysregulation, neuropsychiatric disorders, and organ damage. The article concludes by discussing future directions for research and implications for the management and treatment of COVID-19 and long COVID.

HIV-1 infection is considered one of the major public health problems worldwide. Due to the limited access to antiretroviral therapy, the associated side effects, and the resistance that the virus can generate, it has become necessary to continue the development of new antiviral agents. The study aimed to identify potential antiviral agents for HIV-1 by evaluating the in vitro and in silico activity of 16 synthetic di-halogenated compounds derived from L-Tyrosine. The compounds were tested for cytotoxicity, which was determined using MTT, and a combined antiviral screening strategy (pre- and post-infection treatment) was performed against R5 and X4 strains of HIV-1. The most promising compounds were evaluated against a pseudotyped virus (HIV-GFP-VSV-G), and the effectiveness of these compounds was measured through GFP flow cytometry. Also, the antiviral effect of these compounds was evaluated in PBMCs using flow cytometry and ELISA for p24. The TODB-2M, TODC-2M, TODC-3M, and YDC-3M compounds showed low toxicity and significant inhibitory activity against HIV-1. In silico docking and molecular dynamics assays suggest that the compounds’ antiviral activity may be due to interaction with reverse transcriptase, viral protease, or envelope gp120.

The eggshell membrane (ESM) is a biopolymeric network that naturally nucleates calcium carbonate (CaCO3) during shell formation [1]. It consists mainly of cysteine-rich eggshell membrane protein (abbreviated CREMP), collagen (namely collagen type I, V and X), and globular proteins (ovocalyxin-36, lysozyme, lysyl oxidases, etc.) [2]. ESM not only provides a surface for heterogeneous nucleation but also possesses specialized organic aggregates composed of ¿Mammilan,¿ a calcium-binding molecule containing keratan sulfate proteoglycan. These aggregates, known as ¿mammillary knobs,¿ randomly arrange over the ESM outer surface and act as nucleation centers of CaCO3 during eggshell formation [3]. In this study, the membrane was carefully peeled out from the shell of an egg and employed as a heteronucleant surface of calcium phosphate by the sitting drop vapor diffusion technique [1]. Results after 1, 7, and 15 days of experiment show that the outer surface of ESM promotes the nucleation of nanocrystalline apatite, which is associated with the ESM fibers, while the inner opposite side does not. The physicochemical and crystallographic characteristics of the mineral coating, populated with apatite nanocrystals doped with A- and B-type carbonate substitutions and low crystallinity, resembled those of the mineralized bone tissue. In addition, biological tests performed on human mesenchymal stromal cells (hMSCs) indicated the enhanced biocompatibility of the mineralized membrane compared with the non-mineralized one and the ability for osteogenic differentiation of hMSCs after 21 days in culture. Hence, the ESM proved to be an excellent heteronucleant scaffold for calcium salts (e.g., calcium phosphates) different from the ones for which it was designed over millions of years of evolution. Moreover, the precipitated phase depicted biomimetic bonelike features. Because of its singular characteristics, the mineralized ESM is an excellent candidate for use in bone tissue regenerat

Mechanical interactions between cells and their microenvironment play an important role in determining cell fate, which is particularly relevant in metastasis, a process where cells invade tissue matrices with different mechanical properties. In vitro, type I collagen hydrogels have been commonly used for modeling the microenvironment due to its ubiquity in the human body. In this work, the combined influence of the stiffness of these hydrogels and their ultrastructure on the migration patterns of HCT-116 and HT-29 spheroids are analyzed. For this, six different types of pure type I collagen hydrogels by changing the collagen concentration and the gelation temperature are prepared. The stiffness of each sample is measured and its ultrastructure is characterized. Cell migration studies are then performed by seeding the spheroids in three different spatial conditions. It is shown that changes in the aforementioned parameters lead to differences in the mechanical stiffness of the matrices as well as the ultrastructure. These differences, in turn, lead to distinct cell migration patterns of HCT-116 and HT-29 spheroids in either of the spatial conditions tested. Based on these results, it is concluded that the stiffness and the ultrastructural organization of the matrix can actively modulate cell migration behavior in colorectal cancer spheroids.

The physicochemical features of the avian eggshell membrane play an essential role in the process of calcium carbonate deposition during shell mineralization, giving rise to a porous mineralized tissue with remarkable mechanical properties and biological functions. The membrane could be useful by itself or as a bi-dimensional scaffold to build future bone-regenerative materials. This review focuses on the biological, physical, and mechanical properties of the eggshell membrane that could be useful for that purpose. Due to its low cost and wide availability as a waste byproduct of the egg processing industry, repurposing the eggshell membrane for bone bio-material manufacturing fulfills the principles of a circular economy. In addition, eggshell membrane particles have has the potential to be used as bio-ink for 3D printing of tailored implantable scaffolds. Herein, a literature review was conducted to ascertain the degree to which the properties of the eggshell membrane satisfy the requirements for the development of bone scaffolds. In principle, it is biocompatible and non-cytotoxic, and induces proliferation and differentiation of different cell types. Moreover, when implanted in animal models, it elicits a mild inflammatory response and displays characteristics of stability and biodegradability. Furthermore, the eggshell membrane possesses a mechanical viscoelastic behavior comparable to other collagen-based systems. Overall, the biological, physical, and mechanical features of the eggshell membrane, which can be further tuned and improved, make this natural polymer suitable as a basic component for developing new bone graft materials.

Copper-based hydrogen evolution electrocatalysts are promising materials to scale-up hydrogen production due to their reported high current densities; however, electrode durability remains a challenge. Here, we report a facile, cost-effective, and scalable synthetic route to produce Cu2-xS electrocatalysts, exhibiting hydrogen evolution rates that increase for ∼1 month of operation. Our Cu2-xS electrodes reach a state-of-the-art performance of ∼400 mA cm-2 at -1 V vs RHE under mild conditions (pH 8.6), with almost 100% Faradaic efficiency for hydrogen evolution. The rise in current density was found to scale with the electrode electrochemically active surface area. The increased performance of our Cu2-xS electrodes correlates with a decrease in the Tafel slope, while analyses by X-ray photoemission spectroscopy, operando X-ray diffraction, and in situ spectroelectrochemistry cooperatively revealed the Cu-centered nature of the catalytically active species. These results allowed us to increase fundamental understanding of heterogeneous electrocatalyst transformation and consequent structure-activity relationship. This facile synthesis of highly durable and efficient Cu2-xS electrocatalysts enables the development of competitive electrodes for hydrogen evolution under mild pH conditions.

Natural carotenoids are secondary metabolites that exhibit antioxidant, anti-inflammatory, and anti-cancer properties. These types of compounds are highly demanded by pharmaceutical, cosmetic, nutraceutical, and food industries, leading to the search for new natural sources of carotenoids. In recent years, the production of carotenoids from bacteria has become of great interest for industrial applications. In addition to carotenoids with C40-skeletons, some bacteria have the ability to synthesize characteristic carotenoids with C30-skeletons. In this regard, a great variety of methodologies for the extraction and identification of bacterial carotenoids has been reported and this is the first review that condenses most of this information. To understand the diversity of carotenoids from bacteria, we present their biosynthetic origin in order to focus on the methodologies employed in their extraction and characterization. Special emphasis has been made on high-performance liquid chromatography-mass spectrometry (HPLC-MS) for the analysis and identification of bacterial carotenoids. We end up this review showing their potential commercial use. This review is proposed as a guide for the identification of these metabolites, which are frequently reported in new bacteria strains.

This paper proposes a new methodology for the automatic detection of magnetic disturbances from magnetic inertial measurement unit (MIMU) sensors based on deep learning. The proposed approach considers magnetometer data as input to a long short-term memory (LSTM) neural network and obtains a labeled time series output with the posterior probabilities of magnetic disturbance. We trained our algorithm on a data set that reproduces a wide range of magnetic perturbations and MIMU motions in a repeatable and reproducible way. The model was trained and tested using 15 folds, which considered independence in sensor, disturbance direction, and signal type. On average, the network can adequately detect the disturbances in 98% of the cases, which represents a significant improvement over current threshold-based detection algorithms.

The presence of As in drinking water is a problem felt all over the world. In particular, arsenic is present in +3 (As(III)) and +5 (As(V)) oxidation states. However, As(III) is the most toxic and difficult to remove with conventional adsorption processes. A pre-oxidation process is therefore necessary. In this work, we report, for the first time, the use of BiFeO3 as a visible-light active photocatalyst for the complete and fast oxidation of As(III) to As(V) in water. In particular, the influence of annealing temperature for BiFeO3 preparation was studied and the prepared photocatalysts were characterized through XRD, N2 adsorption at −196°C, TEM, XPS, Raman and UV–Vis DRS spectroscopy. The best photocatalytic activity was achieved with BiFeO3 calcined at 550°C. The influence of catalyst dosage and the role of the main oxidizing species was evaluated, evidencing the key role of h+ in the photooxidation reaction of As(III) to As(V). Moreover, the efficiency of the photocatalyst was also evaluated in the case of drinking water contaminated by arsenic. The results demonstrated that, despite the presence of dissolved salts in the drinking water, the photocatalyst maintained its activity. The results obtained in this work prove that BiFeO3 calcined at 550°C evidenced photocatalytic performances better than different photocatalyst formulations studied for the photooxidation of As(III) to As(V) under visible light.

[EN] Biomass burning is an important source of greenhouse gases (GHG) and air pollutants (AP) in developing countries. In this research, a bottom-up method was implemented for the estimation of emissions, emphasizing the validation process of aerial biomass products (AGB), which it has not been sufficiently approached from the point of view of the quantification of emissions. The most recent results on the validation of burned area (AQ) products and the analysis of uncertainty were also incorporated into the process of estimating the emissions of gases that directly or indirectly promote the greenhouse effect, such as CO₂, NO₂, CO, NH₃, and Black Carbon (BC). In total, 87.60 Mha were burned in the region between 2001 and 2016, represented in a 57% by pasture lands a 23% by savannas, an 8% by savanna woodlands, an 8% by mixed soils with crops and natural vegetation, a 3% by evergreen broadleaf forests, and a 1 % in the region´s remaining types of land cover. With 35480 reference polygons, a model based on the uncertainty of AQ was generated, which served to find the calibration factor of the FireCCI5.0 in all the studied species. The total emissions (minimum and maximum) and the average of the same in the study period were the following: 1760 Tg CO₂ (765.07-2552.88; average 110 Tg), 68.12 Tg of CO (27.11-98.87; average 4.26 Tg), 3.05 Tg of NO₂ (1.27-4.40; average 0.19 Tg), 0.76 Tg of NH₃ (0.33-1.12; average 0.05 Tg), and 0.44 Tg of Black Carbon (0.015-0.64; average 0.03 Tg)., [ES] La quema de biomasa es una fuente importante de gases efecto invernadero (GEI) y contaminantes atmosféricos (CA) en la región norte de Sur América (NHSA). En esta investigación se implementó un método bottom-up para la estimación de emisiones, haciendo énfasis en el proceso de validación de los productos de biomasa aérea (AGB), lo que hasta ahora ha sido poco abordado desde el punto de vista de la cuantificación de las emisiones. También se incorporaron los resultados más recientes sobre la validación de productos de área quemada (AQ) y el análisis de la incertidumbre, dentro del proceso de estimación de las emisiones de gases, que de forma directa o indirecta, promueven el efecto invernadero, como lo son el CO₂, NO₂, CO, NH₃ y Black Carbon (BC). En total se quemaron en la región 87,60 Mha entre 2001 y 2016, representadas en un 57% por pastos; 23%, sabanas; 8%, sabanas arboladas; 8%, suelos mixtos con cultivos y vegetación natural; 3%, bosques perennes de latifoliadas; 1%, en el resto de coberturas. Con 35.480 polígonos de referencia se generó un modelo basado en la incertidumbre de AQ, el cual sirvió para encontrar el factor de calibración del FireCCI5.0 en todas las especies estudiadas. Así se obtuvo como resultado que las emisiones totales (mínimas y máximas) y el promedio de las mismas en el periodo de estudio fueron en su orden 1760 Tg CO₂ (765,07-2552,88; promedio 110 Tg), 68,12 Tg de CO (27,11-98,87; promedio 4,26 Tg), 3,05 Tg de NO₂ (1,27-4,40; promedio 0,19 Tg), 0,76 Tg de NH₃ (0,33-1,12; promedio 0,05 Tg), 0,44 Tg de Black Carbon (0,015-0,64; promedio de 0,03 Tg).

The estimated and concerning rise in world population over the next few years and the consequent increase in food demand will lead to a deterioration in global food security. To avoid or reduce this world crisis, informed and empowered consumers are turning to sustainable and nutrient-rich foods that substitute animal products, also reducing their associated environmental impact. Moreover, due to the demonstrated influence of diet on the risk of high incidence and mortality of noncommunicable diseases, the current established food pattern is focused on the consumption of foods that have functionality for health. Among these new foods, traditional and underutilized plants are gaining interest as alternative protein sources providing nutritional and biological properties. In this work, the potential of Erythrina edulis (chachafruto) proteins as a source of multifunctional peptides after transit through the gastrointestinal tract has been demonstrated, with antioxidant and immunostimulating effects in both biochemical assays and cell culture. While low molecular weight peptides released during the digestive process were found to be responsible for protection against oxidative stress mediated by their radical scavenging activity, high molecular weight peptides exerted immunostimulating effects by upregulation of immunoresponse-associated biomarkers. The findings of this study support the promising role of chachafruto proteins as a new antioxidant and immunostimulatory ingredient for functional foods and nutraceuticals.

Despite the importance of south Cumbrian sections for the Arundian¿Holkerian (mid Viséan) boundary, beyond the stratotype proposed at Barker Scar in 1976, little else is known regionally about this boundary and its relationship to adjacent formations. We re-evaluate the Dalton Formation, making its upper and lower boundaries regionally more consistent and precisely-defined, in good quality outcrops with associated biostratigraphy. The Dalton Formation is formally divided into the Blackstone Member and overlying Raven's Member. Rich foraminiferal assemblages of the Cf4¿ subzone are recognized in the BlackstoneMember and the lower to mid Raven's Member in nine sections. The Cf4¿¿Cf4¿ boundary is recognized in the underlying Red Hill Limestone Formation in 3 sections. The upper part of the Raven'sMember shows the first appearance of taxa assigned to the Cf5¿ and Cf5ß subzones of the Holkerian in three of the sections. Bentonitic shales in the mid and upper-most part of the Raven's Member were evaluated for zircon and apatite geochronology, although only 4 out of 504 analyses yielded Carboniferous ages, indicating an almost entirely detrital source. This detritus was northerly or northeasterly-derived and predominantly from the Southern Uplands Terrane with subsidiary input from the Lewisian Complex or eastern Greenland sources. Petrographic analysis identified 13 microfacies indicating that the Dalton Formation represents the inner to outer part of a southward inclined shelf, in which east¿west changes inmicrofacies were generated by synsedimentary faulting inherited from northwest¿southeast aligned basement structures.

Wüstite under simulated solar irradiation with addition of H2O2 was used to treat enrofloxacin and levofloxacin in water. Wüstite was characterized, showing 2.1 eV of bandgap and species of Fe3+ on the surface that favor its catalytic ability. The effect of light intensity, wüstite dose, concentration of H2O2, and pH on the removal of antimicrobial activity (AA, against S. aureus and E. coli), was tested, finding as suitable conditions: [intensity]: 500 W m−2, [wüstite]: 10 mg L-1, [H2O2]: 1.0 mmol L-1, and pH 6.5. Under such conditions, up to 100% of AA elimination occurred at 180 min of treatment. The Light-Wüstite-H2O2 system involved, the action of light, O2•−, 1O2, and HO•, where wüstite acted as a semiconductor and a catalyst for heterogeneous photo-Fenton. Furthermore, this system mineralized 21% of ENR, and the wüstite catalyst promoted 100% of AA removal up to the fourth reuse cycle. Interestingly, the application of Light-Wüstite-H2O2 to an actual effluent led to complete AA removal after 180 min treatment. The process action on ENR generated six stable products, exhibiting the loss of the fluorine atom (induced by light directly) and modifications on the ethyl-piperazyl group (reactive region according to calculations of atomic charge) by radical attacks. The relationship between the AA and structural transformations showed that those products that retained quinolone and piperazyl moieties had AA.

Countries globally trade with tons of waste materials every year, some of which are highly hazardous. This trade admits a network representation of the world-wide waste web, with countries as vertices and flows as directed weighted edges. Here we investigate the main properties of this network by tracking 108 categories of wastes interchanged in the period 2001–2019. Although, most of the hazardous waste was traded between developed nations, a disproportionate asymmetry existed in the flow from developed to developing countries. Using a dynamical model, we simulate how waste stress propagates through the network and affects the countries. We identify 28 countries with low Environmental Performance Index that are at high risk of waste congestion. Therefore, they are at threat of improper handling and disposal of hazardous waste. We find evidence of pollution by heavy metals, by volatile organic compounds and/or by persistent organic pollutants, which are used as chemical fingerprints, due to the improper handling of waste in several of these countries.

Ticks of the Amblyomma maculatum (Acari: Ixodidae) group are represented by three species: Amblyomma maculatum, Amblyomma tigrinum, and Amblyomma triste. This group is widely distributed throughout the Nearctic and Neotropical regions, from the United States of America (USA) to Argentina. They parasitize several vertebrates, including domestic mammals and humans. Nonetheless, the identification and distribution of the species within the group have been controversial but can be solved with integrative studies on their taxonomy and ecology. In Colombia, a Neotropical country from which up to 58 tick species have been reported, only Amblyomma maculatum Koch, 1844 (sensu stricto - s.s.) - morphotype II – has been molecularly confirmed. Here, specimens of the A. maculatum group from three departments of Colombia were examined by morphological and molecular analyses. The results confirmed the wide distribution of A. maculatum s.s. in Colombia. Furthermore, the presence of A. triste s.s. - morphotype I was confirmed for the first time at the molecular level, which broadens the distribution of this species in the American continent. Considering that both taxa are vectors of pathogens such as Rickettsia parkeri s.s., additional taxonomic, reproductive compatibility and niche distribution studies are needed, as well as the application of new molecular markers due to the controversial taxonomy. This will allow us to explore cryptic diversity within the recently established putative groups.

The dinoflagellate genus Prorocentrum includes several harmful toxigenic species, predominantly benthic ones. In the past, fast-acting toxicity in mice has been observed in extracts of the epibenthic species P. borbonicum, with the finding of two compounds termed as borbotoxins-A and -B. The presence of palytoxin-like compounds was also suggested from electrophysiological experiments. In the present study, a strain of P. borbonicum was isolated in the continental coast of Colombian Caribbean, in seagrass beds of Thalassia testudinum in Bonito Gordo, Tayrona National Natural Park (PNNT). The morphological and molecular characteristics were consistent with the original and former descriptions for this species. Typical haemolytic activity due to palytoxin was confirmed in P. borbonicum extracts in presence of ouabain, the toxin contents being estimated as 1.9 pg palytoxin equivalents cell-1. HPLC-HRMS analyses of these extracts unambiguously identified the presence of borbotoxins and 42-hidroxy-palytoxin (42-OH-PLTX). This is the first report of palytoxin-like compounds in another dinoflagellate genus than Ostreopsis and the first record of P. borbonicum in Colombia and the Caribbean region

Most plant species develop stress symptoms when exposed to high ammonium (NH4+) concentrations. The root is the first organ in contact with high NH4+ and therefore the first barrier to cope with ammonium stress. In this work, we focused on root adaptation to ammonium nutrition in the model plant Brachypodium distachyon. Proteome analysis revealed changes associated with primary metabolism, cell wall remodelling, and redox homeostasis. In addition, it showed a strong induction of proteins related to methionine (Met) metabolism and phytosiderophore (PS) synthesis in ammonium-fed plants. In agreement with this, we show how ammonium nutrition impacts Met/S-adenosyl-Met and PS metabolic pathways together with increasing root iron content. Nevertheless, ammonium-fed plants displayed higher sensitivity to iron deficiency, suggesting that ammonium nutrition triggers impaired iron utilization and root to shoot transport, which entailed an induction in iron-related responses. Overall, this work demonstrates the importance of iron homeostasis during ammonium nutrition and paves a new way to better understand and improve ammonium use efficiency and tolerance.

Pheidole fallax is one the most abundant ants in sites where coal mines have undergone rehabilitation and in forests without mine intervention. The impact that this species may have as an ecosystem engineer needs to be assessed. We aimed to test whether P. fallax nests have an effect on soil chemical properties, to characterize the organic debris found in the refuse piles, and to describe nest architecture as proxy of the bioturbation effect. The study was carried out in a coal mine in Colombia, in sites with 16 and 20 years of rehabilitation. Samples were taken from inside the nests, from the external refuse pile, and from a control treatment one meter away from the nest. The three sample types were subjected to chemical analysis and near-infrared spectra (NIRS). The biomass of items from the 20-year site was significantly greater, and P. fallax use food resources of different trophic levels, with arthropods and seeds being the main items in their diet. The NIRS analysis enabled us to distinguish the origin of the sample: refuse pile, interior of nest, or control soil. No statistical differences were found between the soil of the nests and control soil. High contents of organic matter and other parameters contributed to the soil nutrient pool through accumulation of organic debris in the refuse piles. Nest molds presented an asymmetric architecture, with mean volume ranging from 30 to 105.7 cm3 and an average of 11.8 chambers per nest. The construction and maintenance of nests may play an important role in the reestablishment of ecological and hydrological processes, such as bioturbation and water infiltration, respectively.

Globally, 7-10 billion tonnes of waste are produced annually, including 300-500 million tonnes of hazardous wastes (HW)--explosive, flammable, toxic, corrosive, and infective ones. About 10 % of these HW are traded through a world-wide waste web (W4). The volume of HW traded through the W4 in the last 30 years has grown by 500 % and will continue to grow, creating serious legal, economic, environmental and health problems at global scale. Here we investigate the tip of the iceberg of the W4 by studying networks of 108 categories of wastes traded among 163 countries in the period 2003-2009. Although, most of the HW were traded between developed nations, a disproportionate asymmetry existed in the flow of waste from developed to developing countries. Using a dynamical model we simulate how waste congestion propagates through the W4. We identify 32 countries with poor environmental performance which are at high risk of waste congestion. Therefore, they are a threat of improper handling and disposal of HW. We found contamination by heavy metals (HM), by volatile organic compounds (VOC) and/or by persistent organic pollutants (POP), which were used as chemical fingerprints (CF) of the improper handling of HW in 94 % of these countries.

Extracellular vesicles (EVs) found in various biological fluids and particularly in reproductive fluids, have gained considerable attention for their possible role in cell- to- cell communication. Among, the different bioactive molecules cargos of EVs, MicroRNAs (miRNAs) are emerging as promising diagnostic biomarkers with high clinical potential. Aiming to understand the roles of EVs in bovine reproductive tract, we intended to characterize and profile the EVs of oviduct and uterine fluids (OF-EVs, UF-EVs) and their miRNA across the estrous cycle. Nanoparticle tracking analysis and transmission electron microscopy confirmed the existence of small EV population in OF and UF at all stages, (size between 30 and 200 nm; concentration: 3.4 × 1010 EVs/ml and 6.0 × 1010 EVs/ml for OF and UF, respectively, regardless of stage). The identification of EV markers (CD9, HSP70, and ALIX proteins) was confirmed by western blot. The miRNA analysis revealed the abundance of 310 and 351 miRNAs in OF-EVs and UF-EVs, respectively. Nine miRNAs were differentially abundant in OF-EVs between stages of the cycle, eight of them displayed a progressive increase from S1 to S4 (p < .05). In UF-EVs, a total of 14 miRNAs were differentially abundant between stages. Greater differences were observed between stage 1 (S1) and stage 3 (S3), with 11 miRNAs enriched in S3 compared to S1. Functional enrichment analysis revealed the involvement of these miRNAs in relevant pathways such as cell signaling, intercellular junctions, and reproductive functions that may be implicated in oviduct and uterus modulation across the cycle, but also in their preparation for embryo/conceptus presence and development.

The coordinated interaction between the developing embryo and the maternal reproductive tract is essential for the establishment and maintenance of pregnancy in mammals. An early cross-talk is established between the oviduct/uterus and the gametes and embryo. This dialogue will shape the microenvironment in which gamete transport, fertilisation, and early embryonic development occur. Due to the small size of the gametes and the early embryo relative to the volume of the oviductal and uterine lumina, collection of tissue and fluid adjacent to these cells is challenging in cattle. Thus, the combination of in vivo and in vitro models seems to be the most appropriate approach to better understand this fine dialogue. In this respect, the aim of this review is to summarise the recent findings in relation to gamete/embryo-maternal interaction during the pre-elongation period.

Leishmania are protozoan parasites responsible for leishmaniasis. These parasites present a precise gene regulation that allows them to survive different environmental conditions during their digenetic life cycle. This adaptation depends on the regulation of the expression of a wide variety of genes, which occurs, mainly at the post-transcriptional level. This differential gene expression is achieved by mechanisms based mainly in RNA binding proteins that regulate the translation and/or stability of mRNA targets by interaction with cis elements principally located in the untranslated regions (UTR). In recent studies, our group identified and characterized two proteins, SCD6 and RBP42, as RNA binding proteins in Leishmania braziliensis. To find clues about the cellular processes in which these proteins are involved, this work was aimed to determine the SCD6- and RBP42-interacting proteins (interactome) in L. braziliensis promastigotes. For this purpose, after an in vivo UV cross-linking, cellular extracts were used to immunoprecipitated, by specific antibodies, protein complexes in which SCD6 or RBP42 were present. Protein mass spectrometry analysis of the immunoprecipitated proteins identified 96 proteins presumably associated with SCD6 and 173 proteins associated with RBP42. Notably, a significant proportion of the identified proteins were shared in both interactomes, indicating a possible functional relationship between SCD6 and RBP42. Remarkably, many of the proteins identified in the SCD6 and RBP42 interactomes are related to RNA metabolism and translation processes, and many of them have been described as components of ribonucleoprotein (RNP) granules in Leishmania and related trypanosomatids. Thus, these results support a role of SCD6 and RBP42 in the assembly and/or function of mRNA-protein complexes, participating in the fate (decay/accumulation/translation) of L. braziliensis transcripts. Significance: Parasites of the Leishmania genus present a particular

Watermelon is the second largest fruit crop worldwide, with great potential to valorise its rind waste. An experimental design was used to model how extraction parameters (temperature, pH, and time) impact on the efficiency of the process, purity, esterification degree, monosaccharide composition and molar mass of watermelon rind pectin (WRP), with an insight on changes in their structural properties (linearity, branching degree and extraction severity). The models for all responses were accurately fitted (R2 > 90%, lack of fit p ≥ 0.05) and experimentally validated. At optimum yield conditions, WRP yield (13.4%), purity (540 µg/g galacturonic acid) and molar mass (106.1 kDa) were comparable to traditional pectin sources but showed a higher branching degree with longer galactan side chains and a higher protein interaction. Harsher conditions (pH 1) generated purer homogalacturonan fractions with average molar masses (80 kDa) at the expense of yield, while mild extraction conditions (pH ≥ 2) produced highly branched entangled pectin structures. This study underlines novel compositional features in WRP and the possibility of producing novel customized pectin ingredients with a wider potential application scope depending on the targeted structure.

Staphyloxanthin (STX) is a saccharolipid derived from a carotenoid in Staphylococcus aureus involved in oxidative-stress tolerance and antimicrobial peptide resistance. STX influences the biophysical properties of the bacterial membrane and has been associated to the formation of lipid domains in the regulation of methicillin-resistance. In this work, a targeted metabolomics and biophysical characterization study was carried out to investigate the biosynthetic pathways of carotenoids, and their impact on the membrane biophysical properties. Five different S. aureus strains were investigated, including three wild-type strains containing the crtM gene related to STX biosynthesis, a crtM-deletion mutant, and a crtMN plasmid-complemented variant. LC-DAD-MS/MS analysis of extracts allowed the identification of 34 metabolites related to carotenogenesis in S. aureus at different growth phases (8, 24 and 48 h), showing the progression of these metabolites as the bacteria advances into the stationary phase. For the first time, 22 members of a large family of carotenoids were identified, including STX and STX-homologues, as well as Dehydro-STX and Dehydro-STX-homologues. Moreover, thermotropic behavior of the CH2 stretch of lipid acyl chains in live cells by FTIR, show that the presence of STX increases acyl chain order at the bacterial growth temperature. Indeed, the cooperative melting event of the bacterial membrane, which occurs around 15 °C in the native strains, shifts with increased carotenoid content. These results show the diversity biosynthetic of carotenoids in S. aureus, and their influence on membrane biophysical properties.

Virus-related mortality and morbidity are due to cell/tissue damage caused by replicative pressure and resource exhaustion, e.g., HBV or HIV; exaggerated immune responses, e.g., SARS-CoV-2; and cancer, e.g., EBV or HPV. In this context, oncogenic and other types of viruses drive genetic and epigenetic changes that expand the tumorigenic program, including modifications to the ability of cancer cells to migrate. The best-characterized group of changes is collectively known as the epithelial–mesenchymal transition, or EMT. This is a complex phenomenon classically described using biochemistry, cell biology and genetics. However, these methods require enormous, often slow, efforts to identify and validate novel therapeutic targets. Systems biology can complement and accelerate discoveries in this field. One example of such an approach is Boolean networks, which make complex biological problems tractable by modeling data (“nodes”) connected by logical operators. Here, we focus on virus-induced cellular plasticity and cell reprogramming in mammals, and how Boolean networks could provide novel insights into the ability of some viruses to trigger uncontrolled cell proliferation and EMT, two key hallmarks of cancer.

Bee pollen is a natural matrix widely studied in its nutritional and bioactive compounds, including carotenoids. That composition is usually identified by Rapid Resolution Liquid Chromatography (RRLC) coupled to UV–Vis spectrophotometry, an expensive method that requires complex sample preparation and long analysis time. In this work, a correlation between colorimetric coordinates and carotenoid composition was evaluated. Through Digital Image Analysis (DIA) by DigiEye, the color characteristics were determined, and carotenoids profile was done by RRLC. The correlations were made by multiple linear regression (MLR). From 12 carotenoids found in the samples, six had a coefficient R2 > 0.75 between reference and predict value. Heterogeneous mixtures of bee pollen samples were analyzed, and the suitability of the mathematical models could be corroborated because the relative error for most of the compounds was less than 20%. It has been demonstrated that union of Tristimulus Colorimetry and Image Analysis represent an effective tool to estimate the chemical composition in food industry.

Nanoparticles (NPs) decorated with coating agents (polymers, gels, proteins, etc.) form Nanoparticle Drug Delivery Systems (DDNS), which are of high interest in nanotechnology and biomaterials science. There have been increasing reports of experimental data sets of biological activity, toxicity, and delivery properties of DDNS. However, these data sets are still dispersed and not as large as the datasets of DDNS components (NP and drugs). This has prompted researchers to train Machine Learning (ML) algorithms that are able to design new DDNS based on the properties of their components. However, most ML models reported up to date predictions of the specific activities of NP or drugs over a determined target or cell line. In this paper, we combine Perturbation Theory and Machine Learning (PTML algorithm) to train a model that is able to predict the best components (NP, coating agent, and drug) for DDNS design. In so doing, we downloaded a dataset of >30 000 preclinical assays of drugs from ChEMBL. We also downloaded an NP data set formed by preclinical assays of coated Metal Oxide Nanoparticles (MONPs) from public sources. Both the drugs and NP datasets of preclinical assays cover multiple conditions of assays that can be listed as two arrays, namely, cjdrug and cjNP. The cjdrug array includes >504 biological activity parameters (c0drug), >340 target proteins (c1drug), >650 types of cells (c2drug), >120 assay organisms (c3drug), and >60 assay strains (c4drug). On the other hand, the cjNP array includes 3 biological activity parameters (c0NP), 40 types of proteins (c1NP), 10 shapes of nanoparticles (c2NP), 6 assay media (c3NP), and 12 coating agents (c4NP). After downloading, we pre-processed both the data sets by separate calculation PT operators that are able to account for changes (perturbations) in the drug, coating agents, and NP chemical structure and/or physicochemical properties as well as for the assay conditions. Next, we carry out an information fusion proce

Nanosystems are gaining momentum in pharmaceutical sciences because of the wide variety of possibilities for designing these systems to have specific functions. Specifically, studies of new cancer cotherapy drug-vitamin release nanosystems (DVRNs) including anticancer compounds and vitamins or vitamin derivatives have revealed encouraging results. However, the number of possible combinations of design and synthesis conditions is remarkably high. In addition, a large number of anticancer and vitamin derivatives have been already assayed, but a notably less number of cases of DVRNs were assayed as a whole (with the anticancer compound and the vitamin linked to them). Our approach combines with the perturbation theory and machine learning (PTML) model to predict the probability of obtaining an interesting DVRN by changing the anticancer compound and/or the vitamin present in a DVRN that is already tested for other anticancer compounds or vitamins that have not been tested yet as part of a DVRN. In a previous work, we built a linear PTML model useful for the design of these nanosystems. In doing so, we used information fusion (IF) techniques to carry out data enrichment of DVRN data compiled from the literature with the data for preclinical assays of vitamins from the ChEMBL database. The design features of DVRNs and the assay conditions of nanoparticles (NPs) and vitamins were included as multiplicative PT operators (PTOs) to the system, which indicates the importance of these variables. However, the previous work omitted experiments with nonlinear ML techniques and different types of PTOs such as metric-based PTOs. More importantly, the previous work does not consider the structure of the anticancer drug to be included in the new DVRNs. In this work, we are going to accomplish three main objectives (tasks). In the first task, we found a new model, alternative to the one published before, for the rational design of DVRNs using metric-based PTOs. The most accurate PTML

[1.] Many animals invest a great amount of time and energy foraging.However, the sit-and-wait strategy is a common behaviour, which reduces the cost of moving by using perches. In the case of dung beetles, individuals of many species use leaves as perches. The factors for the selection of these perches are still unknown, but one hypothesis proposes that plant features may be key, creating an ecological animal–plant network., [2.] We identified dung beetles and plant species in a tropical rain forest and measured the height and area of the leaves, and the body length for each species. We fitted linear regression models to test the relationship between the height and area of the leaf and a beetle’s body size. We also analysed the number of perching interactions through a bipartite analysis to quantify the network modularity., [3.] We collected 369 dung beetles of 21 species that were perching on 32 plant species.There were significant differences in the selection of perches related to dung beetle body size and functional group. Larger beetle species selected higher and larger leaves, whereas telecoprids perched on higher leaves than paracoprids., [4.] Our findings show a distinct network of beetle-plant relationships with clear preferences by some dung beetles for particular plant species. The findings also suggest that the processes driving network structure lead to spatial segregation of dung beetle species. In conclusion, sit-and-wait behaviour is a common and apparently effective strategy for foraging, and reduces competition in dung beetles in tropical rain forests.

According to the competitive exclusion principle, species with low competitive abilities should be excluded by more efficient competitors; yet, they generally remain as rare species. Here, we describe the positive and negative spatial association networks of 326 disparate assemblages, showing a general organization pattern that simultaneously supports the primacy of competition and the persistence of rare species. Abundant species monopolize negative associations in about 90% of the assemblages. On the other hand, rare species are mostly involved in positive associations, forming small network modules. Simulations suggest that positive interactions among rare species and microhabitat preferences are the most probable mechanisms underpinning this pattern and rare species persistence. The consistent results across taxa and geography suggest a general explanation for the maintenance of biodiversity in competitive environments.

The Tc964 protein was initially identified by its presence in the interactome associated with the LYT1 mRNAs, which code for a virulence factor of Trypanosoma cruzi. Tc964 is annotated in the T. cruzi genome as a hypothetical protein. According to phylogenetic analysis, the protein is conserved in the different genera of the Trypanosomatidae family; however, recognizable orthologues were not identified in other groups of organisms. Therefore, as a first step, an in-depth molecular characterization of the Tc946 protein was carried out. Based on structural predictions and molecular dynamics studies, the Tc964 protein would belong to a particular class of GTPases. Subcellular fractionation analysis indicated that Tc964 is a nucleocytoplasmic protein. Additionally, the protein was expressed as a recombinant protein in order to analyze its antigenicity with sera from Chagas disease (CD) patients. Tc964 was found to be antigenic, and B-cell epitopes were mapped by the use of synthetic peptides. In parallel, the Leishmania major homologue (Lm964) was also expressed as recombinant protein and used for a preliminary evaluation of antigen cross-reactivity in CD patients. Interestingly, Tc964 was recognized by sera from Chronic CD (CCD) patients at different stages of disease severity, but no reactivity against this protein was observed when sera fromColombian patients with cutaneous leishmaniasis were analyzed. Therefore, Tc964 would be adequate for CD diagnosis in areas where both infections (CD and leishmaniasis) coexist, even though additional assays using larger collections of sera are needed in order to confirm its usefulness for differential serodiagnosis

The relationship between biodiversity and ecosystem functioning is often assessed through trait diversity. However, the relationship between traits and functions is typically assumed but seldom tested. We analyze the relationship between dung beetle traits and three ecological functions: dung removal, dung burial, and seedling emergence. We set up a laboratory experiment using nine Scarabaeidae species (three endocoprids, four paracoprids, and two telecoprids). We placed a sexual pair of beetles in each experimental unit, together with a mixture of dung and seeds, and measured the amount of dung removed and buried, burial depth, and the number of emerged seedlings. Sixteen morphological traits related to dung removal and burial were measured in each individual. Results indicate that these traits were related to dung beetle performance in dung removal and burial. Most traits were positively related to dung removal, indicating the existence of a general trait syndrome associated with dung manipulation and digging capability. Dung exploitation strategies did not provide further explanatory power. Seedling emergence showed a negative but weak relationship with dung burial amount and depth and species identity. This implies that specific differences in dung–soil interface activity may be important in secondary seed dispersal by dung beetles.

Chalcones are a group of natural products with many recognized biological activities, including antiparasitic activity. Although a lot of chalcones have been synthetized and assayed against parasites, the number of structural features known to be involved in this biological property is small. Thus, in the present study, 21 chalcones were synthesized to determine the effect of substituents in the A and B rings on the activity against Leishmania braziliensis, Trypanosoma cruzi, and Plasmodium falciparum. The compounds were active against L. braziliensis in a structure‐dependent manner. Only one compound was very active against T. cruzi, but none of them had a significant antiplasmodial activity. The electron‐donating substituents in ring B and the hydrogen bonds at C‐2′ with carbonyl affect the antiparasitic activity.

Within the framework of the Spanish monitoring program, this study reports on air concentration of DDTs, HCB, HCHs, NDL-PCBs, DL-PCBs, PCDD/Fs and PBDEs measured during the five-year sampling period 2008–2013. Spanish coastal remote and urban locations were studied using PUF disk passive air samplers which were deployed and collected every three months. Despite the wide range of concentrations measured for most contaminants, a common pattern of relative abundance (median values): NDL-PCBs (36.6 pg/m) > HCB (24.8 pg/m) ≈ HCHs (17.9 pg/m) ≈ DDTs (16.6 pg/m) > PBDEs (3.65 pg/m) > DL-PCBs (2.99 pg/m) >> PCDD/Fs (0.060 pg/m) was found fairly consistent across most seasons and locations. Nevertheless, important variations in yearly concentrations were measured for different POPs. In general, higher levels of DDTs, HCHs, NDL-PCBs, DL-PCBs and PCDD/Fs were found in urban sites highlighting important differences between remote and urban sampling locations for most target contaminants. Greater concentrations of the banned organochlorine pesticides in urban locations suggested the existence of unexpected pointed sources that need to be further investigated and characterized. The limited dataset collected thus far rendered no clear temporal trends for most study target compounds, which emphasizes the necessity of the Spanish monitoring program future maintenance in time.