Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1038/s41557-024-01548-3 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
A nucleophilic beryllyl complex via metathesis at [Be-Be].
Nat Chem
August 2024
Chemistry Research Laboratory Department of Chemistry, University of Oxford, Oxford, UK.
Owing to its high toxicity, the chemistry of element number four, beryllium, is poorly understood. However, as the lightest elements provide the basis for fundamental models of chemical bonding, there is a need for greater insight into the properties of beryllium. In this context, the chemistry of the homo-elemental Be-Be bond is of fundamental interest.
View Article and Find Full Text PDFStrong Be-Be bonds in double-aromatic bridged Be(μ-SO) molecules.
Dalton Trans
August 2022
Chemistry Department, Faculty of Sciences, Shahid Chamran University of Ahvaz, Ahvaz, Iran.
A bridged Be(μ-SO) molecule is formed by stabilizing the Be dimer using a SO ligand. In this molecule, which is thermodynamically stable, the Be moiety behaves as an efficient electron donor toward the SO fragment. The ionic character of Be and SO in this molecule is confirmed by NBO analysis.
View Article and Find Full Text PDFFrom Very Strong to Inexistent Be-Be Bonds in the Interactions of Be with π-Systems.
Chemphyschem
December 2020
Instituto de Química Médica (CSIC), Juan de la Cierva, 3, 28006, Madrid, Spain.
Isolated Be is a typical example of a weakly bound system, but interaction with other systems may give rise to surprising bonding features. The interactions between Be and a set of selected neutral C H (n=2-8) π-systems have been analyzed through the use of G4 and G4MP2 ab initio methods, along with multireference CASPT2//CASPT2 calculations. Our results systematically show that the C H -Be -C H clusters formed are always very stable.
View Article and Find Full Text PDFPhysicochemical property space of hepatobiliary transport and computational models for predicting rat biliary excretion.
Drug Metab Dispos
August 2012
Department of Pharmacokinetics, Dynamics, and Metabolism, MS 8220-2451, Pfizer World Wide Research and Development, Pfizer, Inc., Groton, CT 06340, USA.
Biliary excretion (BE) is a major elimination pathway, and its prediction is particularly important for optimization of systemic and/or target-site exposure of new molecular entities. The objective is to characterize the physicochemical space associated with hepatobiliary transport and rat BE and to develop in silico models. BE of 123 in-house compounds was obtained using the bile-duct cannulated rat model.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!