A combined spectroscopic and molecular dynamic analysis of the inclusion behaviour of l-serine and β-cyclodextrin
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Molecular Liquids"
DOI: 10.1016/j.molliq.2020.114447
Abstract: Abstract l -Serine is supposed to be a nonessential amino acid and is indispensable to many neurodevelopmental symptoms. It acts as a vital metabolic precursor in different biological processes. Adequate supply of l -serine is… read more here.
Keywords: cyclodextrin; inclusion; combined spectroscopic; behaviour serine ... See more keywords
Combined spectroscopic, XRD crystal structure and DFT studies on 2-(ethylthio)pyrimidine-4,6-diamine
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2017.05.058
Abstract: Abstract In this study, the compound 2-(ethylthio)pyrimidine-4,6-diamine (ETPD) was re-synthesized and its single crystals were obtained by slow evaporation of ethanol solution. The characterization of the molecule was done experimentally and theoretically. The single-crystal X-ray… read more here.
Keywords: pyrimidine diamine; structure; crystal; combined spectroscopic ... See more keywords
Combined spectroscopic and computational study for optimising catalyst design in hydrocarbon transformations.
Sign Up to like & getrecommendations! Published in 2022 at "Chemical communications"
DOI: 10.1039/d2cc02003c
Abstract: Molecular interactions of hydrocarbons within the confined pores of heterogeneous catalysts can influence reaction pathways, which play a crucial role in determining the overall efficacy of catalytic transformations. We probe the interactions of n-butane with… read more here.
Keywords: combined spectroscopic; computational study; study optimising; optimising catalyst ... See more keywords