Identification of microplastics using Raman spectroscopy: Latest developments and future prospects Abstract Widespread microplastic pollution is raising growing concerns as to its detrimental effects upon living organisms. A realistic risk assessment must stand on representative data on the abundance, size distribution and chemical composition of microplastics. Raman microscopy is an indispensable tool for the analysis…
Crystal Structure of Poly(trimethylene 2,5-furandicarboxylate) Redux – a new model supported by computational spectroscopy. Abstract Poly(trimethylene 2,5-furandicarboxylate) (PTF) is an emergent biobased polymer potentially able to outperform the fossil-based poly(ethylene terephthalate) counterpart. In this work, computational chemistry and vibrational spectroscopy tools are combined to elucidate the conformational preferences of PTF in both crystalline and amorphous…
Good vibrations: understanding deep eutectic solvents through the lens of vibrational spectroscopy. Abstract This review highlights the variety of ways in which vibrational spectroscopy can be of use in understanding why deep eutectic solvents (DESs) behave the way they do. Throughout six themed sub-sections, selected studies are showcased to illustrate the kind of information that…
Using Molecular Conformers in COSMO-RS to Predict Drug Solubility in Mixed Solvents. Abstract This work explores the impact of solute conformers on the conductor-like screening model for real solvents (COSMO-RS) solubility predictions of vanillin and ethyl vanillin in water, short alcohols, and their mixed solvents. Two major conformers of these solutes and changes with solvent…
Exploring asymmetry induced entropy in tetraalkylammonium–urea DES systems: what can be learned from inelastic neutron scattering. Abstract In this work, inelastic neutron scattering (INS) spectroscopy is used to investigate the impact of entropic factors on the behaviour of deep eutectic solvents (DES). Periodic density functional theory calculations (DFT) provide a reliable assignment of the vibrational…
Phone: +351 234-370-732
To provide the best experiences, we use technologies such as cookies to store and/or access information on your device. Consent to these technologies will allow us to process data such as browsing behavior or unique IDs on this website. Not consenting or withdrawing consent may negatively affect certain features and functions.