Towards a unified fold-cusp model for bond polarity scaling: electron rearrangements in the pyrolytic isomerization of cubane to cyclooctatetraene.

Context: This study meticulously examines the criteria for assigning electron rearrangements along the intrinsic reaction coordinate (IRC) leading to bond formation and breaking processes during the pyrolytic isomerization of cubane (CUB) to 1,3,5,7-cyclooctatetraene (COT) from both thermochemical and bonding perspectives. Notably, no cusp-type function was detected in the initial thermal conversion step of CUB to bicyclo[4.2.

Rare earth element (REEs) imprints and provenance of wetland sediments from Oaxaca coast, Mexico.

REEs in wetland sediments from the Oaxaca coast in southern Mexico were used to infer the sources and depositional processes by involving both the geochemical characteristics and geostatistical approaches. Statistically strong positive correlation between REEs confirmed similar origin in all the cores. Light REEs (LREEs) represented >84 % of ΣREE mean concentrations varies between 47.

Searching for nitroxyl modulators in Arabidopsis thaliana - a new paradigm of redox signaling in plant.

Through extensive research, nitroxyl (HNO) has emerged as a newly recognized redox signal in plant developmental and stress responses. The interplay between nitric oxide (●NO) and HNO entails a complex network of signaling molecules and regulatory elements sensitive to the environment's specific redox conditions. However, functional implications for HNO in cell signaling require more detailed studies, starting with identifying HNO-level switches.

Impact of Wood Smoke Exposure on Aortic Valve Mineralization: Microvesicles as Mineral Conveyors in Patients with Coronary Stenosis.

Aortic valve calcification results from degenerative processes associated with several pathologies. These processes are influenced by age, chronic inflammation, and high concentrations of phosphate ions in the plasma, which contribute to induce mineralization in the aortic valve and deterioration of cardiovascular health. Environmental factors, such as wood smoke that emits harmful and carcinogenic pollutants, carbon monoxide (CO), and nitrogen oxide (NO), as well as other reactive compounds may also be implicated.

Analysis of Autonomous Penetration Testing Through Reinforcement Learning and Recommender Systems.

Conducting penetration testing (pentesting) in cybersecurity is a crucial turning point for identifying vulnerabilities within the framework of Information Technology (IT), where real malicious offensive behavior is simulated to identify potential weaknesses and strengthen preventive controls. Given the complexity of the tests, time constraints, and the specialized level of expertise required for pentesting, analysis and exploitation tools are commonly used. Although useful, these tools often introduce uncertainty in findings, resulting in high rates of false positives.

The Properties of Damaged Starch Granules: The Relationship Between Granule Structure and Water-Starch Polymer Interactions.

The morphology of wheat starch granules with different damaged starch (DS) content was analyzed using a particle size analyzer and scanning electron microscopy (SEM); the granular structure was studied using FT-IR spectroscopy and X-ray diffraction (XRD); and the granule-water interaction was evaluated by thermogravimetric analysis (TGA) and dynamic vapor sorption (DVS). The increase in the level of DS shifted the population of B-type granules towards larger particle diameters and shifted the population of A-type granules towards smaller particle diameters. The appearance of the surface of the starch-damaged granules was rough and flaky (SEM images).

Development of Composite Semiconductor Films Based on Organotin Complexes Doped with Cobalt Porphine for Applications in Organic Diodes.

In this work, we present the green synthesis of complex - derived from β-hidroxymethylidene indanones by ultrasound, which allowed for the obtaining of compounds in a shorter time and with good yields. These organotin complexes were then doped with cobalt porphine and incorporated into a poly(3,4-ethylenedioxythiophene):poly(4-styrenesulfonate) matrix to manufacture composite semiconductor films. The semiconductor films were characterized through atomic force microscopy, examining their topography, Knoop hardness (around 17 HK), and tensile strength, which varied from 5 × 10 to 7 × 10 Pa.

Tip-to-base bark cross-sectional areas contribute to understanding the drivers of carbon allocation to bark and the functional roles of bark tissues.

Along their lengths, stems experience different functional demands. Because bark and wood traits are usually studied at single points on stems, it remains unclear how carbon allocation changes along tip-to-base trajectories across species. We examined bark vs wood allocation by measuring cross-sectional areas of outer and inner bark (OB and IB), IB regions (secondary phloem, cortex, and phelloderm), and wood from stem tips to bases of 35 woody angiosperm species of diverse phylogenetic lineages, climates, fire regimes, and bark morphologies.

Hybrid coating prepared with PMMA/Ti-O-Si tested under vacuum conditions for use in nanosatellites.

A hybrid coating made of poly (methyl methacrylate) with SiO2-TiO2 particles (PMMA/SiO2-TiO2) has been developed for use as a coating on nanosatellites, evaluating its resistance to high vacuum by quantifying its weight loss. The coating was applied on an Al 7075 aluminum substrate used for the aerospace sector. PMMA/SiO2-TiO2 hybrid coatings were prepared using sol-gel reaction in situ assisted with sonochemistry.

High genetic variation, low differentiation, and Pleistocene expansions of the migratory and endangered long-nosed tequila bat, Leptonycteris nivalis, inferred using both maternal and paternal genetic markers.

Tequila bats (genus Leptonycteris) have gained attention for their critical role in pollinating different plant species, especially Agave spp. and columnar cacti. Leptonycteris nivalis is the largest nectar-feeding bat in the Americas, and the females exhibit migratory behavior during the breeding season.

Targeted Enrichment Sequencing Utilizing a Respiratory Pathogen Panel for Genomic Wastewater-Based Viral Epidemiology in Uruguay.

Human respiratory and enteric viruses are responsible for substantial morbidity and mortality worldwide. Wastewater-based epidemiology utilizing next-generation sequencing serves as an effective tool for monitoring viral circulation dynamics at the community level. However, these complex environmental samples are often laden with other microorganisms and host genomic material, which can hinder the sensitivity of viral detection.

Analysis of the NMR Parameters Shielding and Spin-Spin Coupling Constants of Glycine Conformers.

In this study, we worked at the CCSD/aug-cc-pVTZ level to obtain the conformers of glycine in its neutral and zwitterionic forms in the gas and water phases. We then computed the NMR properties (spin-spin coupling constants and nuclear magnetic shieldings) at the SOPPA/aug-cc-pVTZ-J level. We attempt to elucidate the apparent discrepancy arising from two previous works by Valverde et al.

Genomics Reveal Population Structure and Intergeneric Hybridization in an Endangered South American Bird: Implications for Management and Conservation.

Genomics is an invaluable tool for conservation, particularly for endangered species impacted by wildlife trafficking. This study uses genomic data to provide new insights to aid conservation and management of endangered species, using as a case study the Yellow cardinal (), a bird endemic to southern South America severely affected by illegal trade and the transformation of its natural habitat. We explore population structure within the Yellow cardinal, delimiting management units and describing connectivity among them.

Zoonosis: social and environmental connections in the Mexico-United States border region.

The emerging risks facing humanity have highlighted the need to address and prevent challenges through multilateral preventive strategies. The Mexico-United States (US) border is a region with great biological biodiversity and both countries shared a similar history and intense socioeconomic, and cultural interrelationships. Also, it has an extraordinary ecological contrast, resulting in an enormous biological diversity in a broad Nearctic-Neotropical transition zone.

Computational prediction of novel two-dimensional tungsten nitride superconductors.

Transition metal nitrides are well-known 3D superconductor materials. However, there is a lack of knowledge related to their two-dimensional (2D) counterparts, which have several potential technological applications. In this work, we predict, using an evolutionary algorithm coupled with a first-principles approach, a set of novel 2D superconductive structures based on tungsten nitride.

A focus on microporous perovskites: new tricks for an old dog.

Hybrid organic-inorganic perovskites (HOIPs) are widely studied for their potential in optoelectronic devices due to their unique semiconductor features. Porous HOIPs are extremely rare, with (APOSS)[CuCl] being one of the very few examples, featuring 12 Å pores within its lattice. Reed and coworkers (C.

Yerba mate () genome provides new insights into convergent evolution of caffeine biosynthesis.

Yerba mate (YM, ) is an economically important crop marketed for the elaboration of mate, the third-most widely consumed caffeine-containing infusion worldwide. Here, we report the first genome assembly of this species, which has a total length of 1.06 Gb and contains 53,390 protein-coding genes.

Use of Laccase Enzymes as Bio-Receptors for the Organic Dye Methylene Blue in a Surface Plasmon Resonance Biosensor.

Methylene blue is a cationic organic dye commonly found in wastewater, groundwater, and surface water due to industrial discharge into the environment. This emerging pollutant is notably persistent and can pose risks to both human health and the environment. In this study, we developed a Surface Plasmon Resonance Biosensor employing a BK7 prism coated with 3 nm chromium and 50 nm of gold in the Kretschmann configuration, specifically for the detection of methylene blue.

Using Poly(amidoamine) PAMAM-βCD Dendrimer for Controlled and Prolonged Delivery of Doxorubicin as Alternative System for Cancer Treatment.

Doxorubicin (Dox) is an anticancer drug used in the treatment of a wide range of solid tumors; however, Dox causes systemic toxicity and irreversible cardiotoxicity. The design of a new nanosystem that allows for the control of Dox loading and delivery results is a powerful tool to control Dox release only in cancer cells. For this reason, supramolecular self-assembly was performed between a poly(amidoamine) (PAMAM) dendrimer decorated with four β-cyclodextrin (βCD) units (PAMAM-βCD) and an adamantane-hydrazone-doxorubicin (Ad-h-Dox) prodrug.

Effects of Phytochemicals on Metabolic Diseases and Human Health.

Metabolic diseases constitute a worldwide health concern because of their increasing prevalence and associated mortality [...

Anticancer Activity of Plant Tocotrienols, Fucoxanthin, Fucoidan, and Polyphenols in Dietary Supplements.

Plants and algae harbor diverse molecules with antioxidant activity and have been demonstrated to directly inhibit cancer cell growth and mitigate the oxidative damage associated with certain antitumor therapies. While antioxidant supplementation, either alone or in combination with chemotherapy, has shown promise in improving quality of life, further research is needed to explore the effects of antioxidant combinations on specific cancer cell lines. In this study, the in vitro cytotoxic and apoptotic properties of natural compounds derived from plants and algae, as well as certain dietary supplements, were investigated against various human cancer cell lines, including bone, leukemia, colorectal, breast, and prostate cancers.

Diversity and Composition of the Airborne Fungal Community in Mexico City with a Metagenomic Approach.

Airborne fungi are widely distributed in the environment and originate from various sources like soil, plants, decaying organic matter, and even indoor environments. Exposure to airborne fungal spores can cause allergic reactions, asthma, and respiratory infections. Certain fungi can cause serious infections, particularly in individuals with weakened immune systems.

Advances in the Degradation of Polycyclic Aromatic Hydrocarbons by Yeasts: A Review.

Polycyclic aromatic hydrocarbons (PAHs) are toxic organic compounds produced during the incomplete combustion of organic materials and are commonly found in the environment due to anthropogenic activities such as industrial and vehicular emissions as well as natural sources, mainly volcanic eruptions and forest fires. PAHs are well known for their bioaccumulative capacity and environmental persistence, raising concerns due to their adverse effects on human health, including their carcinogenic potential. In recent years, bioremediation has emerged as a promising, effective, and sustainable solution for the degradation of PAHs in contaminated environments.

Emerging Psychotropic Drug for the Treatment of Trigeminal Pain: Salvinorin A.

Trigeminal neuralgia (TN) is chronic pain caused by damage to the somatosensorial system on the trigeminal nerve or its branches, which involves peripheral and central dysfunction pain pathways. Trigeminal pain triggers disruptive pain in regions of the face, including within and around the mouth. Besides clinical experiences, translating the language of suffering into scientific terminology presents substantial challenges.

Molecular Pathways Linking High-Fat Diet and PM Exposure to Metabolically Abnormal Obesity: A Systematic Review and Meta-Analysis.

Obesity, influenced by environmental pollutants, can lead to complex metabolic disruptions. This systematic review and meta-analysis examined the molecular mechanisms underlying metabolically abnormal obesity caused by exposure to a high-fat diet (HFD) and fine particulate matter (PM). Following the PRISMA guidelines, articles from 2019 to 2024 were gathered from Scopus, Web of Science, and PubMed, and a random-effects meta-analysis was performed, along with subgroup analyses and pathway enrichment analyses.