Molecular Dynamics Study of Polyacrylamide and Polysaccharide-Derived Flocculants Adsorption on Mg(OH) Surfaces at pH 11.

Brucite (Mg(OH)) is a typical precipitate in the mining industry that adversely affects processes such as flotation and thickening. Gaining insights into the physicochemical properties of this mineral is critical for developing strategies to mitigate these challenges and improve operational efficiency. Additionally, incorporating natural-origin polymers aligns with the shift toward more sustainable mining practices.

-Halogenation and -Alkoxylation of Phenylglycine Derivatives by Pd-Mediated C-H Functionalization: Scope and Limitations.

Orthopalladated derivatives from substituted phenylglycines [Pd(μ-Cl)(CHRC(R)(R)N(R)] () react with halogenating reagents (PhICl, Br, I) () to give the corresponding o-halogenated amino acids CH(X)RC(R)(R)N(R) (). The reaction is general and tolerates a variety of functional groups (R to R) at the aryl ring, the Cα, and the N atom. On the other hand, the reaction of [Pd(μ-Cl)(CHRC(R)(R)N(R)] () with PhI(OAc) in the presence of a variety of alcohols ROH () gives the o-alkoxylated phenylglycines CH(OR)RC(R)(R)N(R) (), also as a general process.

Advancing Adult-Acquired Flatfoot Deformity Treatment: Enhanced Biomechanical Support Through Graphene Oxide-Integrated Bioengineered Grafts Tested In Silico.

Adult-Acquired Flatfoot Deformity (AAFD) is a progressive orthopedic condition causing the collapse of the foot's medial longitudinal arch, often linked with injuries to the plantar arch's passive stabilizers, such as the spring ligament (SL) and plantar fascia. Conventional treatment typically involves replacing the SL with synthetic material grafts, which, while providing mechanical support, lack the biological compatibility of native ligaments. In response to this shortcoming, our study developed an electrospun, twisted polymeric graft made of polycaprolactone (PCL) and type B gelatin (GT), enhanced with graphene oxide (GO), a two-dimensional nanomaterial, to bolster biomechanical attributes.

Sustainable Synthesis of New Antioxidants from Hydroxytyrosol by Direct Biocatalytic Esterification in Ionic Liquids.

Hydroxytyrosol (HT) is a nutraceutical compound, mainly found in the fruit, leaves and waste from the olive oil industry, known for exhibiting one of the highest antioxidant activities among molecules of natural origin. To harness this bioactivity in cosmetics, pharmaceuticals and the food industry, it is essential to modify the hydrophilicity of HT to enhance its compatibility with lipid-based mixtures. This chemical modification must be carried out with high selectivity to avoid compromising its radical scavenging activity.

Rheological Behavior of Clay Tailings in the Presence of Divalent Cations and Sodium Polyacrylate: Insights from Molecular Dynamics Simulations.

This study analyzes the behavior of sodium polyacrylate (NaPA) as a rheological modifier for clay-based tailings. Special emphasis is placed on the impact of calcium and magnesium ions in industrial water, which are analyzed through rheograms, zeta potential measurements, and molecular dynamics simulations. The results are interpreted as electrostatic interactions, steric phenomena, and cation solvation.