Evaluating Variational Quantum Eigensolver Approaches for Simplified Models of Molecular Systems: A Case Study on Protocatechuic Acid.

The Variational Quantum Eigensolver (VQE) is a hybrid algorithm that combines quantum and classical computing to determine the ground-state energy of molecular systems. In this context, this study applies VQE to investigate the ground state of protocatechuic acid, analyzing its performance with various Ansatzes and active spaces. Subsequently, all VQE results were compared to those obtained with the CISD and FCI methods.

Diclofenac Removal by Alkylammonium Clay Minerals Prepared over Microwave Heating.

Diclofenac is an emerging contaminant widely detected in water and has had adverse effects on the biota. In this study, the adsorbents were prepared by reacting tetradecyl-(C), hexadecyl-(C), and octadecyltrimethylammonium (C) bromides with sodium vermiculite (Na-Ver) and used for the removal of the first time for diclofenac sodium from aqueous solution. Synthesis was carried out in a microwave-assisted reactor operating at 50 °C for 5 min, using proportions of organic salts in 100 and 200% of the phyllosilicate cation exchange capacity.

Over 400 food resources from Brazil: evidence-based records of wild edible mushrooms.

Many species of mushroom-forming fungi have been harvested in the wild and used for food and medicine for thousands of years. In Brazil, the knowledge of the diversity of wild edible mushrooms remains scattered and poorly studied. Based on new samples, bibliographic records revision, and searches through the GenBank, we recorded 409 species of wild edible mushrooms in Brazil, of which 350 can be safely consumed and 59 are edible but with conditions.

Gut Dysbiosis and Probiotic Therapy in Chronic Kidney Disease: A Comprehensive Review.

Chronic kidney disease (CKD) is a multifactorial disease affecting more than 13.4% of the world's population and is a growing public health problem. It is silent in its early stages and leads to irreversible kidney damage as the disease progresses.

Thermal and storage stability of novel nutraceuticals combining potential probiotic Limosilactobacillus fermentum strains and freeze-dried jabuticaba [Myrciaria cauliflora (Mart.) O. Berg] peel.

This study evaluated the stability of novel nutraceuticals containing jabuticaba freeze-dried peel (FJP) and a mix of potential probiotic L. fermentum strains [139, 263 and 296 (LfM)] (JM: FJP + LfM; JFM: FJB + LfM + fructooligosaccharides) through determination of thermal stability, viable cell counts, bacterial physiological status, phenolic compound contents, and antioxidant activity during 90 days of storage (11% relative humidity, 4 and 25 ºC). JM and JFM were thermally stable, with satisfactory stability in temperature variations.

Analysis of free-living seabirds from Brazil as potential hosts of Toxoplasma gondii and serological investigation for antibodies against Leptospira spp.

Dispersal patterns of zoonotic pathogens can be strongly influenced by mobility and contact among hosts. Toxoplasma gondii infection has been documented in many avian species, however, there is little information regarding free-living seabird populations. Leptospira can infect domestic and wild animals, with birds being potential carriers of the bacteria.

Production of bacteriocin-like inhibitory substance (BLIS) by Staphylococcus spp. isolates from dogs.

In the present study, 39 canine isolates of Staphylococcus spp. were tested for antimicrobial substance (AMS) production. Seven AMS producers were identified, whose products exhibited a non-acidic character and a proteinaceous nature, therefore being considered bacteriocin-like inhibitory substances (BLIS).

Spectroscopic exploration of mode of binding of DNA and BSA with acridone alkaloids isolated from (Rutaceae).

is a medicinal plant widely studied due to its great phytochemical diversity, especially its acrinonic alkaloids, which have shown to be promising anticancer candidates. The aim of this work was to promote the isolation of acridonic alkaloids from fruits of and carried out absorption and fluorescence spectroscopy studies with calf thymus DNA and BSA. Five acridone alkaloids have been isolated, including the first description of 3-desmethoxy arborinine ().

ZnO with Different Morphologies Sensitized by Metalloporphyrins as Catalysts for H Production by Water Splitting Under Sunlight.

In this work, zinc oxide with different morphologies and textural properties were prepared and sensitized with metalloporphyrins (MPs) aiming to improve its solar energy harvesting capability for H production by water splitting under sunlight (a 300 W Xe/Hg lamp). An anionic iron(III)porphyrin and a cationic manganese(III)porphyrin were immobilized on different ZnO solids predominantly by electrostatic interactions. In general, the prepared MP-free ZnO solid yielded modest catalytic results which had apparently no direct correlation with their textural properties or morphology.

Targeting Gut Microbiota with Probiotics and Phenolic Compounds in the Treatment of Atherosclerosis: A Comprehensive Review.

Atherosclerosis (AS) is a chronic inflammatory vascular disease. Dysregulated lipid metabolism, oxidative stress, and inflammation are the major mechanisms implicated in the development of AS. In addition, evidence suggests that gut dysbiosis plays an important role in atherogenesis, and modulation of the gut microbiota with probiotics and phenolic compounds has emerged as a promising strategy for preventing and treating AS.

Management of C2 fractures following multiple classifications, a narrative review.

Introduction: Classifications are helpful for surgeons as they can be a resource for decision-making, often providing the individual indicators that may deem a case necessary for surgery. However, when there are multiple classifications, the decision-making might be compromised. That is the case with C2 fractures.

The influence of amphiphilic quaternary ammonium palmitoyl glycol chitosan (GCPQ) polymer composition on oil-loaded nanocapsule architecture.

Hypothesis: Predicting the exact nature of the self-assembly of amphiphilic molecules into supramolecular structures is of utmost importance for a variety of applications, but this is a challenge for nanotechnology. The amphiphilic drug delivery polymer-N-palmitoyl-N-monomethyl-N,N-dimethyl-N,N,N-trimethyl-6-O-glycolchitosan (GCPQ) self-assembles in aqueous media to form nanoparticles.

Experiment: This work aimed to develop a systematic predictive mathematical model on the eventual nature of oil-loaded GCPQ-nanoparticles and to determine the main independent variables that affect their nanoarchitecture following self-assembly.

Unveiling Hierarchical Self-Assembly of Triazolylferrocenyl Dendrimers: Producing Non-Traditional Intrinsically Green Fluorescent Vesosomes for Nanotheranostics.

Dendrimers and supramolecular chemistry continue to fascinate researchers due to the endless unrevealed potential of their combination. This study investigates the self-assembly process of a series of hydrophobic triazolylferrocenyl dendrimers in aqueous medium. Deep investigation through NMR spectroscopy, absorption UV-vis spectroscopy along with theoretical simulations demonstrates that the ferrocenyl moieties interact intramolecularly and intermolecularly driving the self-assembly process.

The Escherichia coli TolC efflux pump protein is immunogenic and elicits protective antibodies.

Antimicrobial resistance is an increasing worldwide public health burden that threatens to make existent antimicrobials obsolete. An important mechanism of antimicrobial resistance is the overexpression of efflux pumps, which reduce the intracellular concentration of antimicrobials. TolC is the outer membrane protein of an efflux pump that has gained attention as a therapeutic target.

Volume fraction detection in multiphase systems using neutron activation analysis and artificial neural network.

This study presents an application of an Artificial Neural Network (ANN) to detect fluids in an annular flow regime using Prompt-Gamma Neutron Activation Analysis (PGNAA). The ANN was trained using gamma-ray spectra resulting from neutron interactions with chemical elements found in fluids typical of multiphase flow in oil exploration. These spectra were generated through mathematical simulation using the MCNP6 Monte Carlo computer code to model nuclear particle transport.

Effect of treatment of transverse maxillary deficiency using rapid palatal expansion on oral health-related quality of life in children: complementary results for a controlled clinical trial.

Objective: To evaluate the effect of rapid palatal expansion (RPE) using Haas-type expanders on children's oral health-related quality of life (OHRQOL) and compare said effect with that previously reported for the use of Hyrax-type expanders.

Materials And Methods: Forty participants aged 8-10 years with transverse maxillary deficiency were treated using Haas appliances. OHRQOL was measured using the CPQ before RPE, during RPE (T), at the end of RPE (T), and 1 month after appliance removal (T).

Synergistic effect of new pyrimidine derivative with oxacilin against methicillin-resistant .

This work aimed to synthesize a new pyrimidine with potential application against antimicrobial resistance. was synthesized through condensation reaction between and . The antimicrobial evaluation was carried out using the microdilution method in Mueller-Hinton Agar and predictions using different software.

The Development and Pre-Clinical Anti-Inflammatory Efficacy of a New Transdermal Ureasil-Polyether Hybrid Matrix Loaded with Flavonoid-Rich Leaf Extract.

This study aimed to develop a novel ureasil-polyether transdermal hybrid matrix (U-PEO) loaded with concentrated extract (AMCE), which exhibits potent anti-inflammatory activity. The extract was obtained by maceration, a method that allowed for the extraction of a high concentration of flavonoids (39.27 mg/g of extract).

Physiological and Technological Properties of Probiotic Lacticaseibacillus rhamnosus GG Encapsulated with Alginate-Chitosan Mixture and Its Incorporation in Whole Milk.

This study developed and evaluated chitosan-sodium alginate capsules containing the probiotic Lacticaseibacillus rhamnosus GG using extrusion and emulsification techniques. The encapsulated L. rhamnosus GG cells were also evaluated for technological and probiotic-related physiological functionalities, as well as when incorporated in UHT and powdered milk.

Science development study for the Atacama Large Aperture Submillimeter Telescope (AtLAST): Solar and stellar observations.

Observations at (sub-)millimeter wavelengths offer a complementary perspective on our Sun and other stars, offering significant insights into both the thermal and magnetic composition of their chromospheres. Despite the fundamental progress in (sub-)millimeter observations of the Sun, some important aspects require diagnostic capabilities that are not offered by existing observatories. In particular, simultaneously observations of the radiation continuum across an extended frequency range would facilitate the mapping of different layers and thus ultimately the 3D structure of the solar atmosphere.