Metabolic profiling of Baker plants grown and collected from nature using molecular networking and chemometric analysis.

Brazilian Cerrado is recognised as a biodiversity hotspot due to the presence of endemic species with great biological potential. Particularly, , is a rare species found in the Cerrado region in midwestern Brazil. Efforts have been made for its conservation in the Cerrado, such as the use of micropropagation, demanding a comparative analysis between grown plants and those collected from nature.

"SiRC": Machine Learning Combined with Molecular Fingerprints to Predict the Reaction Rate Constant of the Radical-Based Oxidation Processes of Aqueous Organic Contaminants.

We developed a web application structured in a machine learning and molecular fingerprint algorithm for the automatic calculation of the reaction rate constant of the oxidative processes of organic pollutants by OH and SO radicals in the aqueous phase-the SiRC platform. The model development followed the OECD principles: internal and external validation, applicability domain, and mechanistic interpretation. Three machine learning algorithms combined with molecular fingerprints were evaluated, and all the models resulted in high goodness-of-fit for the training set with > 0.

Classical Food Quality Attributes and the Metabolic Profile of Cambuci, a Native Brazilian Atlantic Rainforest Fruit.

The cambuci is a native Brazilian fruit from the Atlantic Forest biome. A soft and astringent pulp, a green color, and a sweet aroma are its main characteristics. Classical food quality attributes (fresh fruit mass, fruit height, diameters, total soluble solid, titratable acidity, and ratio) and the metabolic profile from ten accessions from three different locations were analyzed herein by analytical methods (refractometry and neutralization titration) and nuclear magnetic resonance spectroscopy.

A Blue-Light-Emitting Cadmium Coordination Polymer with 75.4% Photoluminescence Quantum Yield.

We report a novel bright deep-blue-emitting crystal form based on a simple cadmium coordination polymer with an impressive external photoluminescence quantum yield of 75.4(9)%.

A Novel Polymer-Lipid Hybrid Nanoparticle for the Improvement of Topotecan Hydrochloride Physicochemical Properties.

Background: Topotecan (TPT) is a water-soluble derivate of camptothecin, which undergoes ring-opening hydrolysis in neutral solutions, leading to stability loss and poor cellular uptake. Lipid nanoencapsulation can improve TPT stability, and polymer-lipid hybrid nanoparticles (PLN) are interesting alternatives to improve TPT nanoencapsulation.

Objective: This study seeks to prepare complexes between the cationic TPT and the negatively charged dextran sulfate (DS) with a view of improving drug loading, chemical stability and release control.