Articles

Vibrational Dynamics of Crystalline 4-Phenylbenzaldehyde from INS Spectra and Periodic DFT Calculations. Abstract The present work emphasizes the value of periodic density functional theory (DFT) calculations in the assessment of the vibrational spectra of molecular crystals. Periodic calculations provide a nearly one-to-one match between the calculated and observed bands in the inelastic neutron scattering (INS)…

Poly(4-styrene sulfonic acid)/bacterial cellulose membranes: Electrochemical performance in a single-chamber microbial fuel cell. Abstract The present work aims at exploiting a polyelectrolyte nanocomposite based on poly(4-styrene sulfonic acid) (PSSA) and bacterial cellulose (BC) as an eco-friendly proton-exchange membrane (PEM) for application in microbial fuel cells (MFCs). The PSSA/BC-based PEM was confirmed as a true nanocomposite…

Asymmetric Monomer, Amorphous Polymer? Structure-Property Relationships in 2,4-FDCA and 2,4-PEF. Abstract The biobased polyester poly(ethylene 2,4-furanoate) (2,4-PEF) is a potentially interesting yet insufficiently studied polymer whose resistance to crystallization fundamentally stems from the asymmetric nature of the 2,4-furandicarboxylic acid monomer. A combination of vibrational spectroscopy (infrared, Raman and inelastic neutron scattering) and ab initio calculations…

Impermeáveis Abstract The search for waterproof materials has a long history and exemplifies the use of natural materials unknown in Europe before the first globalization; more recently, it uses artificial materials, benefiting from the development of Chemistry. Paulo J. A. Ribeiro-Claro. Full Article

What a difference a methyl group makes – probing choline–urea molecular interactions through urea structure modification. Abstract There is a lack of fundamental knowledge on deep eutectic solvents, even for the most extensively studied mixtures, such as the mixture of cholinium chloride and urea, which prevents a judicious choice of components to prepare new solvents….