Elemental Analysis of Coffee with Ion Beam Analytical Techniques.

In this review, we present a compilation of results from studies of coffee carried out with accelerator-based analytical techniques employing swift ions. The fundamentals of these techniques are presented in detail. Moreover, different aspects of coffee are discussed, including the analysis of ground and roasted coffee beans, the effects of the drip brewing process on the final beverage, the importance of the water temperature for the extraction of elements during coffee preparation and how chemical markers can help discriminate coffee for forensic purposes.

Molecular Nanoinformatics Approach Assessing the Coating Oxcarbazepine (OXC) Drug on Silver Nanoparticles.

Silver nanoparticles (AgNP) have gained significant attention due to their unique pharmacological properties. These nanoparticles have been found to possess antimicrobial, anti-inflammatory, and antioxidant activities, making them promising candidates for various medical applications. The coating characteristics of oxcarbazepine (OXC), a drug used in epilepsy treatment, on the AgNP icosahedral clusters were investigated using molecular dynamics (MD) simulations and noncovalent interactions (NCI) and Independent Gradient Model (IGM) analysis.

Sulfonamide derived from anacardic acid as potential antichagasic: a theoretical approach based on molecular docking, molecular dynamics, and density functional theory calculations.

Chagas disease (CD) is a tropical disease caused by the parasite Trypanosoma cruzi, transmitted by the barber insect. Currently, there are approximately 7 million infected people in the world, and it is estimated that 70 million people could contract this disease. The anacardic acid (AA) showed effectiveness in in silico and in vitro tests.

Antioxidant and anticholinesterase activities of amentoflavone isolated from (Gardner) Engl. through and chemical-quantum studies.

popularly known as batiputá, is a tree species easily found in the coastal part of northeastern Brazil. Its leaves are rich in biflavonoids, its major compound being amentoflavone. Biflavonoids are well studied due to their high antioxidant capacity.

Quantum computational investigations and molecular docking studies on amentoflavone.

Chagas disease is a neglected tropical disease caused by the protozoan parasite , with approximately 6-7 million people infected worldwide, becoming a public health problem in tropical countries, thus generating an increasing demand for the development of more effective drugs, due to the low efficiency of the existing drugs. Aiming at the development of a new antichagasic pharmacological tool, the density functional theory was used to calculate the reactivity descriptors of amentoflavone, a biflavonoid with proven anti-trypanosomal activity in vitro, as well as to perform a study of interactions with the enzyme cruzain, an enzyme key in the evolutionary process of . Structural properties (in solvents with different values of dielectric constant), the infrared spectrum, the frontier orbitals, Fukui analysis, thermodynamic properties were the parameters calculated from DFT method with the monomeric structure of the apigenin used for comparison.

Effects of heterogeneities in dose distributions under nonreference conditions: Monte Carlo simulation vs dose calculation algorithms.

The purpose of this study is to evaluate the performance of dose calculation algorithms used in radiotherapy treatment planning systems (TPSs) in comparison with Monte Carlo (MC) simulations in nonelectronic equilibrium conditions. MC simulations with PENELOPE package were performed for comparison of doses calculated by pencil beam convolution (PBC), analytical anisotropy algorithm (AAA), and Acuros XB TPS algorithms. Relative depth dose curves were calculated in heterogeneous water phantoms with layers of bone (1.

Diversity of Sarcosaprophagous Calyptratae (Diptera) on Sandy Beaches Exposed to Increasing Levels of Urbanization in Brazil.

Sandy beaches are among the most impacted ecosystems worldwide, and the effects of urbanization on the biodiversity of these habitats are largely unknown, particularly in Brazil. We investigated the composition and structure of assemblages of sarcosaprophagous insects (Diptera: Calliphoridae, Sarcophagidae, and Muscidae) on six sandy beaches exposed to differential levels of human impact in Pernambuco State, Brazil. In total, 20,672 adults of 40 species were collected, of which 70% were Calliphoridae.

Analysis on the acromial curvature and its relationships with the subacromial space and types of acromion.

Objective: To correlate the acromial curvature, using the angles proposed, with the subacromial space and types of acromion.

Methods: Ninety scapulas were studied. The acromia were classified as types I, II or III.

Modeling the effects of temperature and pH on the resistance of Alicyclobacillus acidoterrestris in conventional heat-treated fruit beverages through a meta-analysis approach.

In this work, all publicly-accessible published findings on Alicyclobacillus acidoterrestris heat resistance in fruit beverages as affected by temperature and pH were compiled. Then, study characteristics (protocols, fruit and variety, °Brix, pH, temperature, heating medium, culture medium, inactivation method, strains, etc.) were extracted from the primary studies, and some of them incorporated to a meta-analysis mixed-effects linear model based on the basic Bigelow equation describing the heat resistance parameters of this bacterium.