Results 41 to 50 of about 769 (146)
, 2023 [Abridged] The aim of this work is to identify potential signatures from planet-disc interaction in the circumstellar discs around MWC 480, HD 163296, AS 209, IM Lup, and GM Aur, through the study of molecular lines observed as part of the ALMA large ...
Izquierdo, A. +27 more
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, 2012 The partitioning of micropollutants to dissolved organic carbon (DOC) can influence their toxicity, degradation, and transport in aquatic systems. In this study carbon-normalized DOC-water partition coefficients (KDOC-w) were measured for a range of non ...
Neale, Peta +7 more
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Varying the Electronics on Isothiourea Catalysts: Basicity, Rate, and Selectivity
European Journal of Organic Chemistry, Volume 27, Issue 44, November 25, 2024.Substituted benzoisothiourea catalysts were studied to understand how changing catalyst electronics affects rate and selectivity in a model reaction. This information ultimately indicates how intermolecular interactions are affected between catalyst and substrates.
Christian J. Harrison +5 more
wiley +1 more source
Molecular Informatics, Volume 43, Issue 10, October 2024.This work is a follow‐up to our previous “Best of Both Worlds” 2015 publication in Journal of Chemical Information and Modeling. It was met with a great interest from the Journal readers enjoying 4771 views and 79 citations to date. Back then, we have described S+pKa ‐ a novel predictive model of ionization constants built from a combined large data ...
Robert Fraczkiewicz +9 more
wiley +1 more source
, 2015 Literature values of the in vivo distribution (BB) of drugs from blood, plasma, or serum to rat brain have been assembled for 207 compounds (233 data points).
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Tweezer Dyads for H‐Bond Assisted Cooperativity in Tandem Uncaging Systems
Chemistry – A European Journal, Volume 30, Issue 53, September 19, 2024.Tweezer dyads synthesized by click chemistry harness large two‐photon absorption in the NIR region from quadrupolar antenna and enhancement of the uncaging efficiency via electron transfer sensitization leading to very high two‐photon sensitivity. Abstract “Tandem” uncaging systems, in which a photolabile protecting group (PPG) is sensitized by an ...
Maxime Klausen +6 more
wiley +1 more source
Journal of Polymer Science, Volume 62, Issue 15, Page 3562-3583, 1 August 2024.Abstract Innovations in dynamic polymeric materials offer prospects to improve the circularity and lower the environmental impact of the modern polymer economy. These materials are also beginning to blur the distinction between re‐use and recycling methods since the bulk material properties of the material may be rationally changed after applying a ...
Meng Jiang +4 more
wiley +1 more source
Paving the road towards automated homogeneous catalyst design
ChemPlusChem, Volume 89, Issue 7, July 2024.Computational tools have become integral to catalyst design, providing crucial support for experimental synthesis. This Perspective explores diverse initiatives in computational catalyst design, emphasizing the rise of data‐driven methods and machine learning.
Adarsh V. Kalikadien +4 more
wiley +1 more source
A critical comparison of Junge/Pankow and Goss/Schwarzenbach theory
, 2022 S.170-171, Abstract TU-SY-C1-13Understanding the partitioning of semi volatile organic compounds (SVOCs) between gas phase and particle phase is essential for exposure analysis and risk assessment in the indoor environment.
Salthammer, Tunga
core
, 2019 Understanding the partitioning of semi volatile organic compounds (SVOCs) between gas phase and particle phase is essential for exposure analysis and risk assessment in the indoor environment.
Tunga Salthammer +3 more
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