The study of stronger-than-quantum effects is a fruitful line of research that provides valuable insight into quantum theory. Unfortunately, traditional bipartite steering scenarios can always be explained by quantum theory. Here, we show that, by relaxing this traditional setup, bipartite steering incompatible with quantum theory is possible. The two scenarios we describe, which still feature Alice remotely steering Bob's system, are (i) one where Bob also has an input and operates on his subsystem, and (ii) the "instrumental steering" scenario. We show that such bipartite postquantum steering is a genuinely new type of postquantum nonlocality, which does not follow from postquantum Bell nonlocality. In addition, we present a method to bound quantum violations of steering inequalities in these scenarios.
Download full-text PDF |
Source |
---|---|
http://dx.doi.org/10.1103/PhysRevLett.125.050404 | DOI Listing |
Comput Biol Chem
January 2025
Department of Natural Sciences, Novosibirsk State University, Novosibirsk 630090, Russia. Electronic address:
Menthol is a naturally occurring cyclic terpene alcohol and is the major component of peppermint and corn mint essential oils extracted from Mentha piperita L. and Mentha arvensis L..
View Article and Find Full Text PDFPLoS Comput Biol
January 2025
Department of Physics, University of Toronto, Toronto, Ontario, Canada.
Efflux pumps that transport antibacterial drugs out of bacterial cells have broad specificity, commonly leading to broad spectrum resistance and limiting treatment strategies for infections. It remains unclear how efflux pumps can maintain this broad spectrum specificity to diverse drug molecules while limiting the efflux of other cytoplasmic content. We have investigated the origins of this broad specificity using theoretical models informed by the experimentally determined structural and kinetic properties of efflux pumps.
View Article and Find Full Text PDFIUCrJ
March 2025
Department of Chemistry, Università degli Studi di Milano, via Golgi 19, 20133 Milano, Italy.
A detailed study of the X...
View Article and Find Full Text PDFJ Chem Phys
January 2025
Department of Chemistry and Pharmaceutical Sciences, Amsterdam Institute of Molecular and Life Sciences (AIMMS), Vrije Universiteit Amsterdam, De Boelelaan 1108, 1081 HZ Amsterdam, The Netherlands, https://www.theochem.nl.
We have quantum chemically analyzed the trends in bond dissociation enthalpy (BDE) of H3C-XHn single bonds (XHn = CH3, NH2, OH, F, Cl, Br, I) along three different dissociation pathways at ZORA-BLYP-D3(BJ)/TZ2P: (i) homolytic dissociation into H3C∙ + ∙XHn, (ii) heterolytic dissociation into H3C+ + -XHn, and (iii) heterolytic dissociation into H3C- + +XHn. The associated BDEs for the three pathways differ not only quantitatively but, in some cases, also in terms of opposite trends along the C-X series. Based on activation strain analyses and quantitative molecular orbital theory, we explain how these differences are caused by the profoundly different electronic structures of, and thus bonding mechanisms between, the resulting fragments in the three different dissociation pathways.
View Article and Find Full Text PDFJ Chem Phys
January 2025
Department of Chemistry, Purdue University, West Lafayette, Indiana 47907, USA.
The Effective Fragment Potential (EFP) method, a polarizable quantum mechanics-based force field for describing non-covalent interactions, is utilized to calculate protein-ligand interactions in seven inactive cyclin-dependent kinase 2-ligand complexes, employing structural data from molecular dynamics simulations to assess dynamic and solvent effects. Our results reveal high correlations between experimental binding affinities and EFP interaction energies across all the structural data considered. Using representative structures found by clustering analysis and excluding water molecules yields the highest correlation (R2 of 0.
View Article and Find Full Text PDFEnter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!