The influence of halogen-mediated interactions on halogen abstraction reactions by formyl radicals.

This article reports a theoretical study on the halogen exchange reactions YX + CHO → Y + XCHO (with Y = F, Cl, Br; X = Cl, Br, I) carried out at a high level of accuracy using coupled-cluster based methodologies including CCSD(T)-F12, CCSD(T)/CBS and CCSDT(Q). Most of the reactions are exothermic at room temperature, with the exception of the reactions FI + CHO → F + ICHO and ClI + CHO → Cl + ICHO. Exothermicity follows two concurrent trends established by the strength of the bonds being cleaved and formed: Y = F < Cl < Br (X-Y bond strength) and X = Cl > Br > I (C-X bond strength).

Conformational versatility among crystalline solids of L-phenylalanine derivatives.

In this study, we present a new N-derivative of L-phenylalanine with 2-naphthaldehyde (PN), obtained by the Schiff base formation procedure and its subsequent reduction. This compound was crystallized as a zwitterion {2-[(naphthalen-2-ylmethyl)azaniumyl]-3-phenylpropanoate, CHNO}, as an anion in a sodium salt (catena-poly[[diaquasodium(I)-di-μ-aqua] 2-[(naphthalen-2-ylmethyl)amino]-3-phenylpropanoate monohydrate], {[Na(HO)](CHNO)·HO}), as a cation in a chloride salt [(1-carboxy-2-phenylethyl)(naphthalen-2-ylmethyl)azanium chloride acetic acid monosolvate, CHNO·Cl·CHCOOH], and additionally acting as a ligand in the pentacoordinated zinc compound aquabis{2-[(naphthalen-2-ylmethyl)amino]-3-phenylpropanoato-κO}zinc(II), [Zn(CHNO)(HO)] or [Zn(PN)(HO)], denoted (PN-Zn), with the amino acid derivative in its carboxylate form.

Regional challenges to optimize the management of patients with severe asthma type 2 inflammation: a Delphi consensus in seven countries.

Severe asthma burdens patients and presents clinical management challenges for healthcare professionals. Biologics are crucial interventions for severe type two (T2) patients with high eosinophil counts. We conducted a Delphi consensus in seven developing or typically underrepresented countries to understand expert agreement on managing severe asthma with type two (T2) inflammation.

Moving from guideline recommendations to practical, reasonable proposals: Biosafety considerations, breeding performance and challenges during specific pathogen-free animal facility enlargement.

Extending an existing animal facility is a challenging process that requires consideration of both engineering and biological aspects. In this sense, integration with ongoing activities must not alter the animals' microbiological condition or welfare, as they usually remain in the facility while these activities occur. The objective of this work was to describe and evaluate the practical biosafety considerations during the enlargement of a specific pathogen-free (SPF) rodent facility.

Secondhand Smoke Exposure and Brain Health Indicators in Cuban Preschoolers.

Secondhand smoke affects nearly 40% of children worldwide, leading to serious health and behavioral problems. Being neurotoxic, it poses potential risks for child health and learning. In Cuba, there is limited research on the association of secondhand smoke with children's brain health, especially in vulnerable populations like young children at home.

Fusarium Head Blight in Argentina, a Profile of Produced Mycotoxins and a Biocontrol Strategy in Barley During Micro-Malting Process.

Barley ( L.) is the second winter crop in Argentina. In the national market, grains are mainly destined to produce malt for beer manufacture.

Characterization, Quantification, and Molecular Identification of Co-Infection of Canine Parvovirus (CPV-2) Variants in Dogs Affected by Gastroenteritis in Ecuador During 2022-2023.

Canine parvovirus (CPV-2) is a highly contagious virus in canines, and it is mostly spread by touching infected feces. Dogs of all ages can catch it, but puppies are more likely to suffer from it. Severe signs include vomiting, diarrhea with blood, feeling tired, and not drinking enough water.

A New Graphical Method for Displaying Two-Dimensional Echocardiography Results in Dogs: Comprehensive Analysis of Results of Diagnostic Imaging Organized in a BOX (CARDIOBOX).

Introduction And Objective: Rapid and efficient interpretation of echocardiographic findings is critical in clinical decision-making. This study aimed to design and validate a new graphical method, called CARDIOBOX, to represent echocardiographic findings in dogs.

Methods: A prospective, observational, exploratory cohort study was conducted over three years.

Evaluation of spp. System Model Against .

Cereal crops are affected by one of the most devastating diseases worldwide, known as Fusarium head blight (FHB), with being the most isolated causal pathogen. Another species associated with this disease is . This species has been considered a relatively weak pathogen compared to , but its importance has increased due to its occurrence in cereal grains worldwide.

Description of the New Species (Hydnangiaceae, Basidiomycota) and a Reassessment of Based on Morphological and Phylogenetic Analyses.

is a diverse and widespread genus of ectomycorrhizal fungi that form symbiotic associations with various trees and shrubs, playing a significant role in forest ecosystems. Approximately 85 species are formally recognised, but recent studies indicate this number may be an underestimation, highlighting the need for further taxonomic studies to improve our understanding of species boundaries. This manuscript focuses on , originally described by Singer in 1967 as var.

Columnar Mesophases and Organogels Formed by H-Bound Dimers Based on 3,6-Terminally Difunctionalized Triphenylenes.

A series of triphenylene (TP) compounds-denoted 3,6-THTP-DiCOH-bearing four hexyloxy ancillary chains and two variable-length alkoxy chains terminally functionalized with hydroxyl groups have been synthesized and characterized. The shorter homologs revealed mesogenic characteristics, giving rise to thermotropic mesophases in which π-stacked columns of H-bound dimers self-organize yielding superstructures. Molecular-scale models are proposed to account for their structural features.

Statistical Complexity Analysis of Sleep Stages.

Studying sleep stages is crucial for understanding sleep architecture, which can help identify various health conditions, including insomnia, sleep apnea, and neurodegenerative diseases, allowing for better diagnosis and treatment interventions. In this paper, we explore the effectiveness of generalized weighted permutation entropy (GWPE) in distinguishing between different sleep stages from EEG signals. Using classification algorithms, we evaluate feature sets derived from both standard permutation entropy (PE) and GWPE to determine which set performs better in classifying sleep stages, demonstrating that GWPE significantly enhances sleep stage differentiation, particularly in identifying the transition between N1 and REM sleep.

The Structure of Bit-String Similarity Networks.

We study the structural properties of networks formed by random sets of bit strings-namely the ordered arrays of binary variables representing, for instance, genetic information or cultural profiles. Two bit strings are connected by a network link when they are sufficiently similar to each other, i.e.

Information Theoretical Analysis of Quantum Mixedness in a Finite Model of Interacting Fermions.

In this study, we utilize information theory tools to investigate notable features of the quantum degree of mixedness (Cf) in a finite model of interacting fermions. This model serves as a simplified proxy for an atomic nucleus, capturing its essential features in a more manageable form compared to a realistic nuclear model, which would require the diagonalization of matrices with millions of elements, making the extraction of qualitative features a significant challenge. Specifically, we aim to correlate Cf with particle number fluctuations and temperature, using the paradigmatic Lipkin model.

Spatio-Temporal Analysis of Acute Myocardial Ischaemia Based on Entropy-Complexity Plane.

Myocardial ischaemia is a decompensation of the oxygen supply and demand ratio, often caused by coronary atherosclerosis. During the initial stage of ischaemia, the electrical activity of the heart is disrupted, increasing the risk of malignant arrhythmias. The aim of this study is to understand the differential behaviour of the ECG during occlusion of both the left anterior descending (LAD) and right anterior coronary artery (RCA), respectively, using spatio-temporal quantifiers from information theory.

Repeated Amphetamine Exposure Blunted Angiotensin II-Induced Responses Mediated by AT Receptors.

Background: Angiotensin II, is critical in regulating the sympathetic and neuroendocrine systems through angiotensin II type 1 receptors (AT-R). Angiotensin II intracerebral administration increases water and sodium intake, as well as renal sodium excretion. Previously, our group has shown that AT-R is involved in behavioral and neurochemical sensitization induced by amphetamine.

Indirect Decompression in Lumbar Degenerative Pathology: Analysis of Imaging Changes at 48 Hours with One-year Follow-up.

Objectives: Investigate the immediate resonance magnetic image changes undergone by the lumbar canal after indirect decompression and compare them at one-year post-intervention. We also investigate the clinical outcome of indirect decompression at one-year follow-up.

Methods: Imaging changes in patients who underwent indirect lumbar decompression and percutaneous posterior fixation were analyzed with one-year follow-up.

Mitochondrial DNA oxidation and content in different metabolic phenotypes of women with polycystic ovary syndrome.

Introduction: Polycystic Ovary Syndrome (PCOS) affects 5-20% of reproductive-aged women. Insulin resistance (IR) is common in PCOS with consequent elevated risks of metabolic disorders and cardiovascular mortality. PCOS and obesity are complex conditions associated with Metabolic Syndrome (MS), contributing to cardiovascular disease and type 2 diabetes mellitus (T2D).

Airborne fine particulate matter exposure induces transcriptomic alterations resembling asthmatic signatures: insights from integrated omics analysis.

Fine particulate matter (PM), an atmospheric pollutant that settles deep in the respiratory tract, is highly harmful to human health. Despite its well-known impact on lung function and its ability to exacerbate asthma, the molecular basis of this effect is not fully understood. This integrated transcriptomic and epigenomic data analysis from publicly available datasets aimed to determine the impact of PM exposure and its association with asthma in human airway epithelial cells.

Photoluminescent Properties of Tb-UiO-66 Metal-Organic Framework Analogues.

Three new analogues of Tb-UiO-66 with various functional groups (-F, -Br, -NH) on the terephthalic acid linker of the metal-organic framework (MOF) are synthesized and characterized. The photoluminescent properties of these analogues, as well as Tb-UiO-66 and Tb-UiO-66-(OH), are studied and correlated to the calculated energies for the triplet (T) states of each linker. The results show that the addition of electron withdrawing groups, such as -F and -Br, lead to higher T energies, resulting in quantum yields in the range of 6-31%.

Effects of unsaturated C18 fatty acids on "glucose-glutathione" Maillard reaction: Comparison and formation pathways of initial stage and meaty flavor compounds.

To explore the effect of oleic acid, linoleic acid, and linolenic acid on "glucose-glutathione" Maillard reaction initial stage and meaty flavor compounds formation pathways, glutathione-Amadori compound was synthesized, and identified by Q/TOF and NMR. Depending on the concentration of glutathione and glutathione-Amadori compound quantified by UPLC-MS/MS, the unsaturated C18 fat acids inhibited glutathione Amadori compound formation or accelerated degradation, and oleic acid inhibited most markedly. The results showed that 65 volatile compounds were detected by GC-MS-O in four model systems.

Microstructure response of concentrated suspensions to flow reversal.

We study experimentally at the macroscopic and microstructure scale a dense suspension of non-Brownian neutrally buoyant spherical particles experiencing periodic reversals of flow at constant rate between parallel plates and tracked individually. We first characterize the quasi-steady state reached at the end of half periods. The volume fraction of particles increases from the walls to the center as a result of migration induced by the nonuniform strain rate.