Manufacturing sulfated cellulose nanofibers using a unique combined DES-based pretreatment-functionalization protocol for metal ion decontamination through porous adsorbents.

This study confirms the efficacy of a unique combined pretreatment-functionalization protocol based on the use of deep eutectic solvent (DES) to obtain sulfated lignocellulose and cellulose nanofibers (SLNF or SNF) hydrogels, which have been successfully shaped as sponge-based adsorbents and fruitfully assessed for the removal of heavy metals from water. A comprehensive characterization study was conducted, demonstrating an excellent degree of sulfation (0.62) in DES-treated wheat straw-derived nanofibers.

Synergizing Machine Learning, Conceptual Density Functional Theory, and Biochemistry: No-Code Explainable Predictive Models for Mutagenicity in Aromatic Amines.

This study synergizes machine learning (ML) with conceptual density functional theory (CDFT) to develop OECD-compliant predictive models for the mutagenic activity of aromatic amines (AAs) with a fully No-Code methodology using a comprehensive data set of 251 AAs, Leave-One-Out-Cross-Validation (LOOCV), and three distinct data splits. Our research employs the GFN2-xTB method, known for its robustness and speed, to compute descriptors for procarcinogens and their activated metabolites in vacuum and aqueous phases. We evaluate the effectiveness of different theoretical definitions of electrophilicity within CDFT, namely, PSL, GCV, and CDP schemes, and the newly introduced Log QP descriptor to approximate Log P information.

Risk of corrected QT interval prolongation in patients receiving antipsychotics.

Antipsychotic (AP) use has been associated to QT interval prolongation on the surface electrocardiogram (ECG). Our study aimed to determine the incidence of corrected QT (QTc) interval prolongation among patients admitted to a psychiatric hospitalization unit requiring AP treatment and to assess the relationship between administered dose and QTc interval changes. We enrolled 179 patients admitted to the Hospital Psiquiátrico Departamental Universitario del Valle in Cali, Colombia.

Nanostructured Cellulose-Based Aerogels: Influence of Chemical/Mechanical Cascade Processes on Quality Index for Benchmarking Dye Pollutant Adsorbents in Wastewater Treatment.

(1) Background: Nanostructured cellulose has emerged as an efficient bio-adsorbent aerogel material, offering biocompatibility and renewable sourcing advantages. This study focuses on isolating (ligno)cellulose nanofibers ((L)CNFs) from barley straw and producing aerogels to develop sustainable and highly efficient decontamination systems. (2) Methods: (Ligno)cellulose pulp has been isolated from barley straw through a pulping process, and was subsequently deconstructed into nanofibers employing various pre-treatment methods (TEMPO-mediated oxidation process or PFI beater mechanical treatment) followed by the high-pressure homogenization (HPH) process.

Avatar-Based Strategies for Breast Cancer Patients: A Systematic Review.

There is a lack of studies to determine if avatar-based protocols could be considered an efficient and accurate strategy to improve psychological well-being in oncology patients, even though it represents a growing field of research. To the best of our knowledge, this is the first systematic review addressing the effectiveness of avatar-based treatments to enhance quality of life (QoL) and psychological well-being in breast cancer patients. The purpose of this study was to review the scientific literature of those studies involving avatar-based technology and breast cancer patients in order to answer the following questions.

Boosting functional properties of active-CMC films reinforced with agricultural residues-derived cellulose nanofibres.

The search for packaging alternatives that reduce the presence of non-biodegradable plastics in water is a focus of much research today. This fact, together with the increasing demand for active packaging capable of prolonging the shelf life of foodstuffs and the rise in the use of natural biopolymers such as cellulose, motivate the present work. This work evaluates CMC films loaded with gallic acid reinforced with (ligno)cellulose nanofibres from various agricultural residues as candidates for use in active food packaging.

Bioactive Absorbent Chitosan Aerogels Reinforced with Bay Tree Pruning Waste Nanocellulose with Antioxidant Properties for Burger Meat Preservation.

As a transition strategy towards sustainability, food packaging plays a crucial role in the current era. This, carried out in a biorefinery context of agricultural residues, involves not only obtaining desirable products but a comprehensive utilization of biomass that contributes to the circular bioeconomy. The present work proposes the preparation of bioactive absorbent food pads through a multi-product biorefinery approach from bay tree pruning waste (BTPW).

Nanocellulose from Spanish Harvesting Residues to Improve the Sustainability and Functionality of Linerboard Recycling Processes.

The hornification processes undergone by the fibers in the paper industry recycling processes lead to the loss of properties of the final products, which exhibit poor mechanical properties. Among the most promising solutions is the reinforcement of secondary fibers with cellulose nanofibers. The present work addresses two important issues: the efficient production of cellulose nanofibers from scarcely exploited agricultural wastes such as horticultural residues and vine shoots, and their application as a reinforcement agent in recycled linerboard recycling processes.

Scintillation light detection in the 6-m drift-length ProtoDUNE Dual Phase liquid argon TPC.

DUNE is a dual-site experiment for long-baseline neutrino oscillation studies, neutrino astrophysics and nucleon decay searches. ProtoDUNE Dual Phase (DP) is a 6   6   6 m liquid argon time-projection-chamber (LArTPC) that recorded cosmic-muon data at the CERN Neutrino Platform in 2019-2020 as a prototype of the DUNE Far Detector. Charged particles propagating through the LArTPC produce ionization and scintillation light.

On the Notation of Catastrophes in the Framework of Bonding Evolution Theory: Case of Normal and Inverse Electron Demand Diels-Alder Reactions.

This paper generalizes very recent and unexpected findings [J. Phys. Chem.

Machine learning predictive classification models for the carcinogenic activity of activated metabolites derived from aromatic amines and nitroaromatics.

A 3D-QSAR study based on DFT descriptors and machine learning calculations is presented in this work. Our goal has been to build predictive models for classifying the carcinogenic activity of a set of aromatic amines (AA) and nitroaromatic (NA) compounds. As the main result, we stress that calculations must consider both the activated metabolites (derived from AA and NA species) and the water solvent to obtain reliable predictive classification models.

Paving the Way for a Green Transition in the Design of Sensors and Biosensors for the Detection of Volatile Organic Compounds (VOCs).

The efficient and selective detection of volatile organic compounds (VOCs) provides key information for various purposes ranging from the toxicological analysis of indoor/outdoor environments to the diagnosis of diseases or to the investigation of biological processes. In the last decade, different sensors and biosensors providing reliable, rapid, and economic responses in the detection of VOCs have been successfully conceived and applied in numerous practical cases; however, the global necessity of a sustainable development, has driven the design of devices for the detection of VOCs to greener methods. In this review, the most recent and innovative VOC sensors and biosensors with sustainable features are presented.

Optogenetic control of receptors reveals distinct roles for actin- and Cdc42-dependent negative signals in chemotactic signal processing.

During chemotaxis, neutrophils use cell surface G Protein Coupled Receptors to detect chemoattractant gradients. The downstream signaling system is wired with multiple feedback loops that amplify weak inputs and promote spatial separation of cell front and rear activities. Positive feedback could promote rapid signal spreading, yet information from the receptors is transmitted with high spatial fidelity, enabling detection of small differences in chemoattractant concentration across the cell.

In vitro Cholesterol Assimilation by Bifidobacterium animalis subsp. lactis (BPL1) Probiotic Bacteria Under Intestinal Conditions.

Background: Hypercholesterolemia is one of the principal causes of the development of cardiovascular diseases. Recently, probiotics consumption has also been proposed as a non-pharmacological intervention to control cholesterol concentrations.

Objective: To evaluate in vitro assimilation of cholesterol by Bifidobacterium animalis subsp.

Bioactive pectic polysaccharides from bay tree pruning waste: Sequential subcritical water extraction and application in active food packaging.

The potential isolation of bio-active polysaccharides from bay tree pruning waste was studied using sequential subcritical water extraction using different time-temperature combinations. The extracted polysaccharides were highly enriched in pectins while preserving their high molecular mass (10-100 kDa), presenting ideal properties for its application as additive in food packaging. Pectin-enriched chitosan films were prepared, improving the optical properties (≥95% UV-light barrier capacity), antioxidant capacity (˃95% radical scavenging activity) and water vapor permeability (≤14 g·Pa·s·m·10) in comparison with neat chitosan-based films.

Are There Only Fold Catastrophes in the Diels-Alder Reaction Between Ethylene and 1,3-Butadiene?

This work revisits the topological characterization of the Diels-Alder reaction between 1,3-butadiene and ethylene. In contrast to the currently accepted rationalization, we here provide strong evidence in support of a representation in terms of seven structural stability domains separated by a sequence of 10 elementary catastrophes, but all are only of the fold type (F and F), that is, CH + CH:1-7-[FF]F[FF][FF][]F-0: CH. Such an unexpected finding provides fundamental new insights opening simplifying perspectives concerning the rationalization of the CC bond formation in pericyclic reactions in terms of the simplest Thom's elementary catastrophe, namely, the one-(state) variable, one-(control) parameter function.

Bio-Degradable Polyurethane Foams Produced by Liquefied Polyol from Wheat Straw Biomass.

In the present work, an abundant and unused residue (wheat straw) has been employed to synthesize a polyol as a substituent of castor oil in polyurethane foams. The liquefied product showed excellent properties for the proposed application. Castor oil was substituted with up to 50% wheat straw polyol in the formulation of polyurethane foams, which were prepared using two different isocyanates (methylene diphenyl diisocyanate (MDI) and toluene-2,4-diisocyanate (TDI)).

Implementation of a new Single-Pass Whole-Body Computed Tomography Protocol: Is it safe, effective and efficient in patients with severe trauma?

Purpose: The objective of this study was to evaluate the implementation of a new single-pass whole-body computed tomography Protocol in the management of patients with severe trauma.

Methods: This was a descriptive evaluation of polytrauma patients who underwent whole-body computed tomography. Patients were divided into three groups: 1.

Multi-inflammatory Syndrome in Children Related to Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) in Spain.

Some clusters of children with a multisystem inflammatory syndrome (MIS-C) associated with severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection have been reported. We describe the epidemiological and clinical features of children with MIS-C in Spain. MIS-C is a potentially severe condition that presents in children with recent SARS-CoV-2 infection.

A Close Look to the Oxaphosphetane Formation along the Wittig Reaction: A [2+2] Cycloaddition?

The Wittig reaction between triphenylphosphine methylide and benzaldehyde has been studied both from conceptual and computational approaches. The supernucleophilic character of ylide accounts for the feasibility of the initial nucleophilic attack. The nature of bonding driving the formation of the first oxaphosphetane (OPA) intermediate in such a domino reaction is examined within a topological-based bonding evolution theory perspective.

Probiotics, prebiotics and synbiotics: useful for athletes and active individuals? A systematic review.

The purpose of this review was to synthesise available knowledge on the main health effects associated with the use of probiotics, prebiotics and/or synbiotics in athletes and active individuals, including their effects on the immune system, oxidative stress, the gastrointestinal and respiratory symptoms, as well as other possible clinical outcomes. A systematic and comprehensive search in electronic databases, including Web of Science (WOS, Scielo), PubMed-MEDLINE, Biblioteca virtual de la Salud (LILACS, IBECS), EBSCO (Academic Search Complete CINAHL; SPORTDiscus) and Cochrane Library, focused on generic articles about probiotics, prebiotics and/or synbiotics and their functionality and effects on human health. The search process was completed using the keywords: 'probiotics', 'prebiotics', 'synbiotics', 'athletes' and 'health'.

Effect of Bay Leaves Essential Oil Concentration on the Properties of Biodegradable Carboxymethyl Cellulose-Based Edible Films.

Films containing bay leaves essential oils (BEOs) were prepared and evaluated for edible packaging applications. The BEOs were extracted by the Soxhlet method, using ethanol or methanol as organic solvent. Then, films were prepared by "solvent casting" technique using carboxymethyl cellulose (CMC), with different concentrations for the as-obtained BEOs (from 1% to 30% wt.