Ground and excited state aromaticity in azulene-based helicenes.

Electron delocalization is studied in the ground singlet and first excited triplet states of azulene-containing helicenes. After showing that the compounds we study can be synthesized, we show that they exhibit a charge separation in the ground state, which does not appear in their triplet excited state. Then, magnetically induced properties (IMS3D and ACID) and electron density decomposition methods (EDDB) are used to rationalize aromaticity in these systems.

Electrophisiological monitoring of pain in non-communicative critically ill patients.

Electrophysiological monitoring of pain provides objective measures that allow for pain control and adjustment of analgesia in non-communicative patients. Among the available electrophysiological devices, automated infrared pupillometry, Analgesia Nociception Index (ANI), and Nociception Level Index (NOL®) stand out. These non-invasive measurement systems analyze the sympathetic or parasympathetic nervous system response to painful stimuli by observing pupillary dilatation and reactivity (pupillometry), heart rate during respiration (ANI), or a combination of multiple parameters from the nociceptive-autonomic medullary circuit (NOL®).

Management Measures and Trends of Biological Invasions in Europe: A Survey-Based Assessment of Local Managers.

Biological invasions are a major threat to biodiversity, ecosystem functioning and nature's contributions to people worldwide. However, the effectiveness of invasive alien species (IAS) management measures and the progress toward achieving biodiversity targets remain uncertain due to limited and nonuniform data availability. Management success is usually assessed at a local level and documented in technical reports, often written in languages other than English, which makes such data notoriously difficult to collect at large geographic scales.

[Clinical characteristics and pharmacological treatment of patients with heart failure in a primary health care cohort].

Objective: To characterise patients with heart failure (HF) in Primary Health Care (PHC) and describe their socio-demographic and clinical characteristics and pharmacological treatment.

Design: Descriptive cohort study. SITE: Information System for the Development of Research in Primary Care (SIDIAP), which captures information from the electronic health records of PHC of the Catalan Institute of Health (approximately 80% of the Catalan population).

Point process analysis of geographical diffusion of news in Argentina.

The diffusion of information plays a crucial role in a society, affecting its economy and the well-being of the population. Characterizing the diffusion process is challenging because it is highly non-stationary and varies with the media type. To understand the spreading of newspaper news in Argentina, we collected data from more than 27 000 articles published in six main provinces during 4 months.

Density Functional Theory Investigation of 2D Phase Separated Graphene/Hexagonal Boron Nitride Monolayers; Band Gap, Band Edge Positions, and Photo Activity.

Creating sustainable and stable semiconductors for energy conversion via catalysis, such as water splitting and carbon dioxide reduction, is a major challenge in modern materials chemistry, propelled by the limited and dwindling reserves of platinum group metals. Two-dimensional hexagonal borocarbonitride (h-BCN) is a metal-free alternative and ternary semiconductor, possessing tunable electronic properties between that of hexagonal boron nitride (h-BN) and graphene, and has attracted significant attention as a nonmetallic catalyst for a host of technologically relevant chemical reactions. Herein, we use density functional theory to investigate the stability and optoelectronic properties of phase-separated monolayer h-BCN structures, varying carbon concentration and domain size.

Enhancement of photoinduced reactive oxygen species generation in open-cage fullerenes.

Photodynamic therapy is an important tool in modern medicine due to its effectiveness, safety, and the ability to provide targeted treatment for a range of diseases. Photodynamic therapy utilizes photosensitizers to generate reactive oxygen species (ROS). Fullerenes can be used as photosensitizers to produce ROS in high quantum yields.

Appropriateness of urine culture requests in primary care in Spain: A cross-sectional descriptive study.

Objective: Studies evaluating urine culture requests in our country have highlighted a high rate of requests that fall outside the indications specified in clinical guidelines. We evaluated the current degree of inadequacy in the request of urine cultures and how this influences the therapeutic decisions of general practitioners.

Design: Cross-sectional descriptive study.

Effectiveness of a Multicomponent Program for Fibromyalgia Patients in a Primary Care Setting (FIBROCARE Program): A Pragmatic Randomized Controlled Trial.

: Multicomponent, non-pharmacological therapies are the preferred first-line treatments for fibromyalgia (FM), but little is known about them in primary care settings. Our study assessed the effectiveness of the FIBROCARE Program in improving the quality of life, functional impact, mood, and pain of people with FM. : We conducted a pragmatic, randomized controlled trial that was not blinded for both patients and the professionals delivering the treatments in the study groups.

New Insights on Iron-Trimesate MOFs for Inorganic As(III) and As(V) Adsorption from Aqueous Media.

Arsenic contamination of water endangers the health of millions of people worldwide, affecting certain countries and regions with especial severity. Interest in the use of Fe-based metal organic frameworks (MOFs) to remove inorganic arsenic species has increased due to their stability and adsorptive properties. In this study, the performance of a synthesized Nano-{Fe-BTC} MOF, containing iron oxide octahedral chains connected by trimesic acid linkers, in adsorbing As(III) and As(V) species was investigated and compared with commercial BasoliteF300 MOF.

All-carbon supramolecular complexation of a bilayer molecular nanographene with [60] and [70]fullerenes.

Supramolecular chemistry of carbon-based materials provides a variety of chemical structures with potential applications in materials science and biomedicine. Here, we explore the supramolecular complexation of fullerenes C and C, highlighting the ability of molecular nanographene tweezers to capture these structures. The binding constant for the CNG-1⊃C complex was significantly higher than for CNG-1⊃C, showing a clear selectivity for the more π-extended C.

Angiogenic factors versus fetomaternal Doppler for fetal growth restriction at term: an open-label, randomized controlled trial.

Small fetuses, with estimated fetal weight (EFW) below the tenth percentile, are classified as fetal growth restriction (FGR) or small for gestational age (SGA) based on prenatal ultrasound. FGR fetuses have a greater risk of stillbirth and perinatal complications and may benefit from serial ultrasound scans to guide early delivery. Abnormal serum angiogenic factors, such as the soluble fms-like tyrosine kinase-1 (sFlt-1):placental growth factor (PlGF) ratio, have shown potential to more accurately distinguish FGR from SGA, with fewer false positives.

Design of Natterins-based peptides improves antimicrobial and antiviral activities.

The biochemical analysis of animal venoms has been intensifying over the years, enabling the prediction of new molecules derived from toxins, harnessing the therapeutic potential of these molecules. From the venom of the fish , using methods for predicting antimicrobial and cell-penetrating peptides, two peptides from Natterins with promising characteristics were synthesized and subjected to and analysis. The peptides were subjected to stability tests and antimicrobial assays, cytotoxicity in murine fibroblast cells, antiviral assays against the Chikungunya virus, and the toxicity on was also evaluated.

Chiral synthetic hosts for efficient enantioselective molecular recognition. Design principles and synthetic aspects.

Discrimination of enantiomeric substrate molecules is one of the fundamental properties of biological hosts. Replicating enantioselective molecular recognition with synthetic receptors is a topic of interest with implications in diverse applications such as bioinspired enantioselective catalysis, enantiomer separation, or sensing. In this review, five different systems reported in the literature are discussed, and their performance and versatility are analyzed.

Deep brain stimulation of the medial forebrain bundle promotes the extinction of active avoidance and is associated with mossy fibber sprouting in the hippocampus.

Background: Post-traumatic stress disorder (PTSD) causes intrusive symptoms and avoidance behaviours due to dysregulation in various brain regions, including the hippocampus. Deep brain stimulation (DBS) shows promise for refractory PTSD cases. In rodents, DBS improves fear extinction and reduces anxiety-like behaviours, but its effects on active-avoidance extinction remain unexplored.

A Comparison between the Methodology of the Mainstream in (Neuro-)Psychology, Holzkamp's and Vygotsky's Approach.

The present paper treats the issue of methodological assumptions in mainstream neuropsychology and, as counter-concepts, in Vygotsky's approach and Holzkamp's critical psychology. The analysis identifies four main assumptions concerning the methodology of mainstream neuropsychology, which are contrasted with the positions of other approaches. The methodologies of the mainstream neuropsychology vs.

π-Lewis Base Activation of Carbonyls and Hexafluorobenzene.

We report hitherto elusive side-on η-bonded palladium(0) carbonyl (anthraquinone, benzaldehyde) and arene (benzene, hexafluorobenzene) palladium(0) complexes and present the catalytic hydrodefluorination of hexafluorobenzene by cyclohexene. The comparison with respective cyclohexene, pyridine and tetrahydrofuran complexes reveals that the experimental ligand binding strengths follow the order THF View Article and Find Full Text PDF

Multitopic Corannulene-Porphyrin Hosts for Fullerenes: A Three-Layer Scaffold for Precisely Designed Supramolecular Ensembles.

A method to synthesize cofacial dimeric porphyrins bearing eight corannulene units has been developed. It relies on the stability of octahedral CO-capped Ru(II) complexes linked by N-donor ligands. This specific arrangement provides an optimal scaffold to accommodate fullerenes by imposing corannulene groups at a precise distance and relative orientation.

Environmental predictors of SARS-CoV-2 infection incidence in Catalonia (northwestern Mediterranean).

Numerous studies have explored whether and how the spread of the SARS-CoV-2, the causative agent of coronavirus disease 2019 (COVID-19), responds to environmental conditions without reaching consistent answers. Sociodemographic factors, such as variable population density and mobility, as well as the lack of effective epidemiological monitoring, make it difficult to establish robust correlations. Here we carry out a regional cross-correlation study between nine atmospheric variables and an infection index ( ) estimated from standardized positive polymerase chain reaction (PCR) test cases.

[Aging with meaning. A qualitative and multicultural study].

Introduction: Currently in Catalonia, multiculturalism is increasing, also among older people. However, little is known about the aspects that give meaning to aging or whether there are differences by origin and culture.

Objectives: Identify what it means to age meaningfully for people over 50 years of age from different origins and cultures.

The PpPep2-Triggered PTI-like Response in Peach Trees Is Mediated by miRNAs.

Plant diseases diminish crop yields and put the world's food supply at risk. Plant elicitor peptides (Peps) are innate danger signals inducing defense responses both naturally and after external application onto plants. Pep-triggered defense networks are compatible with pattern-triggered immunity (PTI).

Mechanism and optimization of ruthenium-catalyzed oxalamide synthesis using DFT.

The oxalamide skeleton is a common structural motif in many biologically active molecules. These scaffolds can be synthesized ruthenium pincer complex-catalyzed acceptorless dehydrogenative coupling of ethylene glycol and amines. In this study, we elucidate the mechanism of this oxalamide synthesis using density functional theory calculations.

Identification of emerging contaminants in greywater emitted from ships by a comprehensive LC-HRMS target and suspect screening approach.

The increase in maritime traffic has led to substantial greywater discharges into the marine environment. Greywater, originating from sinks, showers, kitchen, and laundry facilities, contains a wide array of chemical contaminants influenced by on-board activities, ship size, and management practices. The lack of comprehensive regulations for greywater management, along with limited research on its chemical composition, highlights the need to characterize these waste streams.

Modifiable cardiovascular risk factors in children at risk of acute myocardial infarction: A comprehensive review.

While acute myocardial infarction is rare in children, a part of the pediatric population is at a higher risk due to preexisting non-modifiable conditions. To mitigate the risk, modifiable risk factors such as unhealthy diet or sedentary lifestyle should be controlled from childhood, promoting healthy habits from the earliest stages. The primary purpose of this review is to assess the evidence on lifestyle/nutrition related modifiable risk factor intervention on the risk of acute myocardial infarction in children found in four databases, PubMed, Embase, Scopus and WoS.

A comprehensive review of approaches, systems, and materials used in adsorption-based atmospheric water harvesting.

Atmospheric water harvesting (AWH) is one of the most efficient, sustainable, cost-effective, and promising techniques for addressing world's water scarcity. Over 4.3 billion people around the world struggle to access clean, abundant, and safe drinking water.