[I122] Quantitative molecular imaging: Can we trust the SUV?
Sign Up to like & getrecommendations! Published in 2018 at "Physica Medica"
DOI: 10.1016/j.ejmp.2018.06.194
Abstract: Metabolic activity can be measured using FDG PET/CT. Quantification of FDG PET/CT studies is often based on so-called standardised uptake values (SUV). SUVs or other metabolic parameters, such as metabolic volume and total lesion glycolysis… read more here.
Keywords: pet; imaging procedures; suv; fdg pet ... See more keywords
Salinity-driven nitrogen removal and its quantitative molecular mechanisms in artificial tidal wetlands.
Sign Up to like & getrecommendations! Published in 2021 at "Water research"
DOI: 10.1016/j.watres.2021.117446
Abstract: The present study investigated the performance in nitrogen removal and associated nitrogen transformation processes in seven mesocosms fed with saline water (0‰ to 30‰) to simulate tidal flow constructed wetlands (TF CWs). The highly effective… read more here.
Keywords: salinity driven; nitrogen removal; removal; molecular mechanisms ... See more keywords
Catalogue of Plausible Molecular Models for the Molecular Dynamics of Asphaltenes and Resins Obtained from Quantitative Molecular Representation
Sign Up to like & getrecommendations! Published in 2019 at "Energy & Fuels"
DOI: 10.1021/acs.energyfuels.9b02605
Abstract: Computer simulation studies aimed at elucidating the phase behavior of crude oils inevitably require atomistically detailed models of representative molecules. For the lighter fractions of crudes, such molecules are readily available, as the chemical composition… read more here.
Keywords: molecular dynamics; molecular representation; plausible molecular; catalogue plausible ... See more keywords
The pnictogen bond: a quantitative molecular orbital picture†
Sign Up to like & getrecommendations! Published in 2021 at "Physical Chemistry Chemical Physics"
DOI: 10.1039/d1cp01571k
Abstract: We have analyzed the structure and stability of archetypal pnictogen-bonded model complexes D3Pn⋯A− (Pn = N, P, As, Sb; D, A = F, Cl, Br) using state-of-the-art relativistic density functional calculations at the ZORA-M06/QZ4P level.… read more here.
Keywords: pnictogen bond; bond quantitative; pnictogen; molecular orbital ... See more keywords
Quantitative molecular simulations
Sign Up to like & getrecommendations! Published in 2022 at "Physical Chemistry Chemical Physics"
DOI: 10.1039/d2cp01211a
Abstract: All-atom simulations can provide molecular-level insights into the dynamics of gas-phase, condensed-phase and surface processes. One important requirement is a sufficiently realistic and detailed description of the underlying intermolecular interactions. The present perspective provides an… read more here.
Keywords: quantitative molecular; molecular simulations; chemistry; phase ... See more keywords