DFT Study of the Stability and Electronic Properties of Ni-Doped Defected (6,0) and (8,0) Single-Walled Carbon Nanotubes.

The interaction of Ni with (6,0) and (8,0) zigzag carbon nanotube exterior surfaces containing two vacancies was studied using density functional theory (DFT). A two-vacancy defect was analysed in order to anchor Ni, and the pristine nanotube was also considered as a reference for each chirality. The adsorbed Ni stability and the nanotube's geometry and electronic structure were analysed before and after the adsorption.

Cold flow properties of biodiesel from waste cooking oil and a new improvement method.

Biodiesel despite its positive advantages when using it as a fuel in replacement of diesel, suffers a major drawback in the cold flow properties (CFP). During winters, plugging of the filters as well as crystallization of the fatty acid are two of the leading problems that makes the fuel to not reach injectors and the combustion chamber and therefore the engine does not start. Cold flow properties of waste cooking oil biodiesel (WCOB) through the reduction of cloud point (CP), pour point (PP) and the cold filter plugging point (CFPP) where investigated in this work.

Invading nonnative frogs use different microhabitats and change physiology along an elevation gradient.

The coqui frog (Eleutherodactylus coqui) was introduced to the island of Hawai'i in the 1980s, and has spread across much of the island. There is concern they will invade higher elevation areas where negative impacts on native species are expected. It is not known if coqui change behavior and baseline physiology in ways that allow them to invade higher elevations.

Expanding the repertoire of human tandem repeat RNA-binding proteins.

Protein regions consisting of arrays of tandem repeats are known to bind other molecular partners, including nucleic acid molecules. Although the interactions between repeat proteins and DNA are already widely explored, studies characterising tandem repeat RNA-binding proteins are lacking. We performed a large-scale analysis of human proteins devoted to expanding the knowledge about tandem repeat proteins experimentally reported as RNA-binding molecules.

Invasive frogs show persistent physiological differences to elevation and acclimate to colder temperatures.

The coqui frog (Eleutherodactylus coqui) was introduced to the island of Hawai'i in the 1980s and has spread across much of the island. Concern remains that this frog will continue to expand its range and invade higher elevation habitats where much of the island's endemic species are found. We determined whether coqui thermal tolerance and physiology change along Hawai'i's elevational gradients.

Variation in blubber thickness and histology metrics across the body topography of a false killer whale ().

Blubber is a multifunctional tissue essential to the survival of cetaceans. Histological assessment of blubber may be useful in determining odontocete nutritional state but a greater understanding of specific variation across the body is needed. We report on morphological variation of the blubber according to girth axes and sampling planes in a sub-adult male, bycaught false killer whale () using metrics of blubber thickness (BT), adipocyte area (AA), and adipocyte index (AI).

Egg viability and egg mass underlie immune tradeoffs and differences between urban and rural lizard egg yolk physiology.

Urbanization can cause innumerable abiotic and biotic changes that have the potential to influence the ecology, behavior, and physiology of native resident organisms. Relative to their rural conspecifics, urban Side-blotched Lizard (Uta stansburiana) populations in southern Utah have lower survival prospects and maximize reproductive investment via producing larger eggs and larger clutch sizes. While egg size is an important predictor of offspring quality, physiological factors within the egg yolk are reflective of the maternal environment and can alter offspring traits, especially during energetically costly processes, such as reproduction or immunity.

Effective Use of Extended Dwell Peripheral Intravenous Catheters in Neonatal Intensive Care Patients.

Background: Implementing innovative approaches to vascular access can be challenging in the newborn intensive care unit (NICU).

Purpose: The purpose of this project was to describe the implementation of extended dwell peripheral intravenous (EPIV) catheters, a vascular access device not widely used in the NICU. The implementation involved (1) designing clinical criteria for EPIV catheter use, (2) education of vascular access NICU nurses, and (3) comparing clinical outcomes between vascular access devices (ie, PIV and EPIV catheters).

Density Functional Evaluation of Catechol Adsorption on Pristine and Reduced TiO(B)(100) Ultrathin Sheets for Dye-Sensitized Solar Cell Applications.

The introduction of defects is one of the most recurrent pathways to generate modifications to materials' electronic structure and surface reactivity. In this work, calculations based on the density functional theory (DFT) were applied to study the electronic properties of pristine and reduced TiO(B)(100) ultrathin sheets to evaluate their potential as a semiconductor material for dye-sensitized solar cells (DSSCs). It was carried out by introducing vacancy defects on these surfaces and then adsorbing a catechol molecule, used as a model of a direct electron injection sensitizer (type-II dye), in different interaction configurations.

Effects of Feedback-Supported Online Training during the Coronavirus Lockdown on Posture in Children and Adolescents.

(1) Background. The coronavirus pandemic had a serious impact on the everyday life of children and young people with sometimes drastic effects on daily physical activity time that could have led to posture imbalances. The aim of the study was to examine whether a six-week, feedback-supported online training programme could improve posture parameters in young soccer players.

Impact of protein conformational diversity on AlphaFold predictions.

Motivation: After the outstanding breakthrough of AlphaFold in predicting protein 3D models, new questions appeared and remain unanswered. The ensemble nature of proteins, for example, challenges the structural prediction methods because the models should represent a set of conformers instead of single structures. The evolutionary and structural features captured by effective deep learning techniques may unveil the information to generate several diverse conformations from a single sequence.

Targeted Liposomes: A Nonviral Gene Delivery System for Cancer Therapy.

Cancer is the second most frequent cause of death worldwide, with 28.4 million new cases expected for 2040. Despite de advances in the treatment, it remains a challenge because of the tumor heterogenicity and the increase in multidrug resistance mechanisms.

DisProt in 2022: improved quality and accessibility of protein intrinsic disorder annotation.

The Database of Intrinsically Disordered Proteins (DisProt, URL: https://disprot.org) is the major repository of manually curated annotations of intrinsically disordered proteins and regions from the literature. We report here recent updates of DisProt version 9, including a restyled web interface, refactored Intrinsically Disordered Proteins Ontology (IDPO), improvements in the curation process and significant content growth of around 30%.

Epirubicin: Biological Properties, Analytical Methods, and Drug Delivery Nanosystems.

Epirubicin (EPI) is a chemotherapeutic agent belonging to the anthracycline drug class indicated for treating several tumors. It acts by suppressing the DNA and RNA synthesis by intercalating between their base pair. However, several side effects are associated with this therapy, including cardiotoxicity and myelosuppression.

Relationship between the FTO Genotype and Early Chronic Kidney Disease in Type 2 Diabetes: The Mediating Role of Central Obesity, Hypertension, and High Albuminuria.

Introduction: Single nucleotide polymorphisms (SNP) in the fat mass and obesity-associated (FTO) gene have been associated with type 2 diabetes (T2D) and its complications. The aim of the present research was to investigate which and how (directly or indirectly) clinical and metabolic variables mediate the association between fat mass and the FTO gene and early chronic kidney disease (CKD) in individuals with T2D.

Methods: This cross-sectional study was conducted in a sample of 236 participants with T2D (53.

Highlights in targeted nanoparticles as a delivery strategy for glioma treatment.

Glioma is the most common type of Central Nervous System (CNS) neoplasia and it arises from glial cells. As glial cells are formed by different types of cells, glioma can be classified according to the cells that originate it or the malignancy grade. Glioblastoma multiforme is the most common and aggressive glioma.

Docetaxel-loaded folate-modified TPGS-transfersomes for glioblastoma multiforme treatment.

Glioblastoma multiforme (GBM) is a first primary Central Nervous System tumor with high incidence and lethality. Its treatment is hampered by the difficulty to overcome the blood-brain barrier (BBB) and by the non-specificity of chemotherapeutics to tumor cells. This study was based on the development characterization and in vitro efficacy of folate-modified TPGS transfersomes containing docetaxel (TF-DTX-FA) to improve GBM treatment.

Generation of a Three-Dimensional in Vitro Ovarian Cancer Co-Culture Model for Drug Screening Assays.

In vitro 3D culture models have emerged in the cancer field due to their ability to recapitulate characteristics of the in vivo tumor. Herein, we described the establishment and characterization of 3D multicellular spheroids using ovarian cancer cells (SKOV-3) in co-culture with mesenchymal cells (MUC-9) or fibroblasts (CCD27-Sk). We demonstrated that SKOV-3 cells in co-culture were able to form regular and compact spheroids with diameters ranging from 300 to 400 µm and with a roundness close to 1.

Gene Therapy Based on Lipid Nanoparticles as Non-viral Vectors for Glioma Treatment.

Gliomas are primary brain tumors originating from glial cells, representing 30% of all Central Nervous System (CNS) neoplasia. Among them, the astrocytoma grade IV (glioblastoma multiforme) is the most common, presenting an invasive and aggressive profile, with an estimated life expectancy of about 15 months after diagnosis even after treatment with radiation, surgical resection, and chemotherapy. This poor prognosis is related to the presence of the blood-brain barrier (BBB) and multidrug resistance mechanisms that prevent the uptake and retention of chemotherapeutics inside the brain.

Intrinsically Disordered Protein Ensembles Shape Evolutionary Rates Revealing Conformational Patterns.

Intrinsically disordered proteins (IDPs) lack stable tertiary structure under physiological conditions. The unique composition and complex dynamical behaviour of IDPs make them a challenge for structural biology and molecular evolution studies. Using NMR ensembles, we found that IDPs evolve under a strong site-specific evolutionary rate heterogeneity, mainly originated by different constraints derived from their inter-residue contacts.

PED in 2021: a major update of the protein ensemble database for intrinsically disordered proteins.

The Protein Ensemble Database (PED) (https://proteinensemble.org), which holds structural ensembles of intrinsically disordered proteins (IDPs), has been significantly updated and upgraded since its last release in 2016. The new version, PED 4.

EGFR-targeted immunoliposomes efficiently deliver docetaxel to prostate cancer cells.

Prostate cancer is the second cause of cancer death in men worldwide. Docetaxel (DTX), an antimitotic drug, is widely used for the treatment of metastatic prostate cancer patients. Taxotere® is a commercial DTX formulation.

Establishment and characterization of an in vitro 3D ovarian cancer model for drug screening assays.

The acquired drug chemoresistance represents the main challenge of the ovarian cancer treatment. In addition, the absence of an adequate in vitro model able to reproduce the native tumor environment can contribute to the poor success rate of pre-clinical studies of new compounds. Three-dimensional (3D) culture models have been recently used for drug screening purposes due to their ability to reproduce the main characteristics of in vivo solid tumors.

NUTRIC Score: Isolated and Combined Use With the NRS-2002 to Predict Hospital Mortality in Critically Ill Patients.

Background: Identification of nutritional risk in critically ill patients is a challenge because each nutritional screening tool has its specific characteristics. The objective was to evaluate the performance of the modified Nutrition Risk in Critically ill (mNUTRIC) score, used alone or in combination with the Nutritional Risk Screening 2002 (NRS-2002) score, to predict hospital mortality in critically ill patients.

Methods: A prospective study was performed with patients admitted to the intensive care unit (ICU) from October 2017 to April 2018.

High nutritional risk is associated with unfavorable outcomes in patients admitted to an intensive care unit.

Objective: To evaluate possible associations between nutritional risk and the clinical outcomes of critical patients admitted to an intensive care unit.

Methods: A prospective study was carried out with a cohort comprising 200 patients admitted to a university hospital intensive care unit. Nutritional risk was assessed with the NRS-2002 and NUTRIC scores.