A Ligand-Free Approach towards Coumarin Analogs via Natural Deep Eutectic Solvent-Mediated Suzuki-Miyaura Coupling.

A ligand-free approach for the Suzuki-Miyaura cross coupling reaction using Natural Deep Eutectic Solvents (NaDES) towards coumarin analogs is described. A model reaction between the synthetically prepared 3-(4-acetyloxy-phenyl)-6-bromo-4-methyl-coumarin () and phenylboronic acid was performed in five different NaDES as well as in pure glycerol, using two inorganic bases and palladium catalysts. The reaction proceeded smoothly in Choline Chloride/Glycerol (ChCl/Gly) and Betaine/Glycerol (Bet/Gly) NaDES at 90 °C in 24 h, affording the desired product in high yields up to 95%.

MgO Nanoparticles as a Promising Photocatalyst towards Rhodamine B and Rhodamine 6G Degradation.

The increasing global requirement for clean and safe drinking water has necessitated the development of efficient methods for the elimination of organic contaminants, especially dyes, from wastewater. This study reports the synthesis of magnesium oxide (MgO) nanoparticles via a simple precipitation approach and their thorough characterization using various techniques, including XRD, FT-IR, XPS, TGA, DLS, and FESEM. Synthesized MgO nanoparticles' photocatalytic effectiveness was evaluated towards rhodamine B and rhodamine 6G degradation under both UV and visible light irradiation.

Exploring the Origins of Association of Poly(acrylic acid) Polyelectrolyte with Lysozyme in Aqueous Environment through Molecular Simulations and Experiments.

This study provides a detailed picture of how a protein (lysozyme) complexes with a poly(acrylic acid) polyelectrolyte (PAA) in water at the atomic level using a combination of all-atom molecular dynamics simulations and experiments. The effect of PAA and temperature on the protein's structure is explored. The simulations reveal that a lysozyme's structure is relatively stable except from local conformational changes induced by the presence of PAA and temperature increase.

Investigation of MO Adsorption Kinetics and Photocatalytic Degradation Utilizing Hollow Fibers of Cu-CuO/TiO Nanocomposite.

This comprehensive study explores the kinetics of adsorption and its photocatalytic degradation of methyl orange (MO) using an advanced copper-decorated photocatalyst in the form of hollow fibers (HFs). Designed to boost both adsorption capacity and photocatalytic activity, the photocatalyst was tested in batch experiments to efficiently remove MO from aqueous solutions. Various isotherm models, including Langmuir, Freundlich, Sips, Temkin, and Dubinin-Radushkevich, along with kinetic models like pseudo-first and pseudo-second order, Elovich, Bangham, and Weber-Morris, were utilized to assess adsorption capacity and kinetics at varying initial concentrations.

Mobile phone conversation during nighttime driving: Effects on driving behavior.

Objectives: This study aims to investigate the impact of mobile phone use (specifically, conversation), considering various use modes, on driving behavior at night. Mobile phone use is a source of driver distraction and has been associated with increased accident risk. Driving at night also entails higher accident risk and severity compared to daytime driving.

Combination of Searches for Higgs Boson Pair Production in pp Collisions at sqrt[s]=13 TeV with the ATLAS Detector.

This Letter presents results from a combination of searches for Higgs boson pair production using 126-140  fb^{-1} of proton-proton collision data at sqrt[s]=13  TeV recorded with the ATLAS detector. At 95% confidence level (CL), the upper limit on the production rate is 2.9 times the standard model (SM) prediction, with an expected limit of 2.

Studies of the Energy Dependence of Diboson Polarization Fractions and the Radiation-Amplitude-Zero Effect in WZ Production with the ATLAS Detector.

This Letter presents the first study of the energy dependence of diboson polarization fractions in WZ→ℓνℓ^{'}ℓ^{'}(ℓ,ℓ^{'}=e,μ) production. The dataset used corresponds to an integrated luminosity of 140  fb^{-1} of proton-proton collisions at a center-of-mass energy of 13 TeV recorded by the ATLAS detector. Two fiducial regions with an enhanced presence of events featuring two longitudinally polarized bosons are defined.

Dataset on Electric Road Mobility: Historical and Evolution Scenarios until 2050.

An increasing adoption of electric vehicles (EVs) is expected in the coming decades mainly due to the need to achieve carbon neutrality until 2050. However, predicting electric mobility's future is challenging due to three main factors: technological advancements, regulatory policies, and consumer behaviour. The projections presented in this study are based on several scenarios driven mainly from reports published by public entities and consultants.

Ecohydraulics-based environmental flow assessment in two arid North African rivers.

North Africa is among the most water-stressed regions in the world; still, the habitat requirements of its freshwater biota are largely unknown. In this study, (i) we developed habitat suitability curves (HSCs) for freshwater macroinvertebrates in two poorly studied, regulated North African rivers (Ziz and Oum Er-Rbia), and (ii) assessed environmental flows downstream of each river dam by incorporating the HSCs in two-dimensional ecohydraulic models. We demonstrate a low-cost sampling methodology combined with freely distributed ecohydraulic modeling software.

Measuring Oxygen Solubility in Amorphous and Semicrystalline Polyolefins Using Test Particle Insertion: A Comparative Study of Polyethylene and Isotactic Polypropylene.

The test particle insertion method is used to study the solubility of oxygen in two commonly used polymers: polyethylene (PE) and isotactic polypropylene (iPP). Amorphous samples for both polymers were prepared by means of Monte Carlo and molecular dynamics simulations, and the oxygen solubility was measured across different temperatures. The solubility-temperature dependence for iPP proved to be nonmonotonic due to the interplay between binding and reorganizational enthalpy, while for PE, it appeared to be monotonic based on the available data in the studied temperature range.

Global Challenges After a Global Challenge: Lessons Learned from the COVID-19 Pandemic.

Coronavirus disease 2019 (COVID-19) has affected not only individual lives but also the world and global systems, both natural and human-made. Besides millions of deaths and environmental challenges, the rapid spread of the infection and its very high socioeconomic impact have affected healthcare, economic status and wealth, and mental health across the globe. To better appreciate the pandemic's influence, multidisciplinary and interdisciplinary approaches are needed.

Thermal Relaxation in Janus Transition Metal Dichalcogenide Bilayers.

In this work, we employ molecular dynamics simulations with semi-empirical interatomic potentials to explore heat dissipation in Janus transition metal dichalcogenides (JTMDs). The middle atomic layer is composed of either molybdenum (Mo) or tungsten (W) atoms, and the top and bottom atomic layers consist of sulfur (S) and selenium (Se) atoms, respectively. Various nanomaterials have been investigated, including both pristine JTMDs and nanostructures incorporating inner triangular regions with a composition distinct from the outer bulk material.

Exploring Osmotic Dehydration for Food Preservation: Methods, Modelling, and Modern Applications.

This study summarizes the most recent findings on osmotic dehydration, a crucial step in food preservation. The many benefits of osmotic dehydration are listed, including longer shelf life and preserved nutritional value. Mass transfer dynamics, which are critical to understanding osmotic dehydration, are explored alongside mathematical models essential for comprehending this process.

Enrichment of White Chocolate with Microencapsulated β-Carotene: Impact on Quality Characteristics and β-Carotene Stability during Storage.

This study developed functional white chocolate enriched with free (WC-F) and encapsulated β-carotene using whey protein isolate (WPI) and pullulan (PUL) blends through spray drying (WC-SP), freeze drying (WC-LP), and coaxial electrospinning (WC-EL). The thermal properties, rheological properties, hardness, and color of the chocolates were evaluated, and the stability of β-carotene was monitored over 4 months at 25 °C. No significant differences were found in melting profile temperatures among samples; however, WC-LP and WC-EL exhibited higher melting energies (30.

Monocarbonyl curcuminoids as potential photosensitizers in photodynamic therapy against skin cancer.

Two monocarbonyl dimethylamino curcuminoids, one derived from acetone (C3) and the second one from cyclohexane (C6), were synthesized aiming to study their photophysical properties and anticancer photodynamic potential. Compound C6 exhibited lower absorbance and fluorescence than C3. Photobleaching studies showed that C3 and C6 photostability behavior in DMSO differ significantly.

Enhancing Sports Injury Risk Assessment in Soccer Through Machine Learning and Training Load Analysis.

Sports injuries pose significant challenges in athlete welfare and team dynamics, particularly in high-intensity sports like soccer. This study used machine learning algorithms to assess non-contact injury risk in professional male soccer players from physiological and mechanical load variables. Twenty-five professional male soccer players with a first-time, non-contact muscle injury were included in this study.

Measurement of Energy Correlators inside Jets and Determination of the Strong Coupling α_{S}(m_{Z}).

Energy correlators that describe energy-weighted distances between two or three particles in a hadronic jet are measured using an event sample of sqrt[s]=13  TeV proton-proton collisions collected by the CMS experiment and corresponding to an integrated luminosity of 36.3  fb^{-1}. The measured distributions are consistent with the trends in the simulation that reveal two key features of the strong interaction: confinement and asymptotic freedom.

Modelling the long-term health impact of COVID-19 using Graphical Chain Models brief heading: long COVID prediction by graphical chain models.

Background: Long-term sequelae of SARS-CoV-2 infection, namely long COVID syndrome, affect about 10% of severe COVID-19 survivors. This condition includes several physical symptoms and objective measures of organ dysfunction resulting from a complex interaction between individual predisposing factors and the acute manifestation of disease. We aimed at describing the complexity of the relationship between long COVID symptoms and their predictors in a population of survivors of hospitalization for severe COVID-19-related pneumonia using a Graphical Chain Model (GCM).

An End-to-End Deep Learning Framework for Fault Detection in Marine Machinery.

The Industrial Internet of Things has enabled the integration and analysis of vast volumes of data across various industries, with the maritime sector being no exception. Advances in cloud computing and deep learning (DL) are continuously reshaping the industry, particularly in optimizing maritime operations such as Predictive Maintenance (PdM). In this study, we propose a novel DL-based framework focusing on the fault detection task of PdM in marine operations, leveraging time-series data from sensors installed on shipboard machinery.