Contextuality is a fundamental property of quantum theory and a critical resource for quantum computation. Here, we experimentally observe the arguably cleanest form of contextuality in quantum theory [A. Cabello et al., Phys. Rev. Lett. 111, 180404 (2013)] by implementing a novel method for performing two sequential measurements on heralded photons. This method opens the door to a variety of fundamental experiments and applications.
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http://dx.doi.org/10.1103/PhysRevLett.113.250403 | DOI Listing |
Molecules
January 2025
School of Materials and Environment, Beijing Institute of Technology, Zhuhai 519088, China.
This study employs quantum chemical computational methods to predict the spectroscopic properties of fluorescent probes 2,6-bis(2-benzimidazolyl)pyridine (BBP) and ()-3-(2-(1-benzo[]imidazol-2-yl)vinyl)-9-(2-(2-methoxyethoxy)ethyl)-9-carbazole (BIMC). Using time-dependent density functional theory (TDDFT), we successfully predicted the fluorescence emission wavelengths of BBP under various protonation states, achieving an average deviation of 6.0% from experimental excitation energies.
View Article and Find Full Text PDFMaterials (Basel)
January 2025
Nanoscience and Nanoengineering Programme, İstanbul Technical University, Maslak Campus, İstanbul 34469, Turkey.
We propose a temperature-dependent optimization procedure for the second-nearest neighbor (2NN) * tight-binding (TB) theory parameters to calculate the effects of strain, structure dimensions, and alloy composition on the band structure of heterostructure spherical core/shell quantum dots (QDs). We integrate the thermoelastic theory of solids with the 2NN * TB theory to calculate the strain, core and shell dimensions, and composition effects on the band structure of binary/ternary CdSe/Cd(Zn)S and ZnSe/Zn(Cd)S QDs at any temperature. We show that the 2NN * TB theory with optimized parameters greatly improves the prediction of the energy dispersion curve at and in the vicinity of L and X symmetry points.
View Article and Find Full Text PDFInt J Mol Sci
January 2025
Research Institute of Chemistry, Peoples' Friendship University of Russia, 6 Miklukho-Maklaya Street, 117198 Moscow, Russia.
In this study, we report the first example of acyclic (amino)(N-pyridinium)carbenoid gold(III) complexes synthesized via a coupling reaction between 2-pyridylselenyl chloride and Au(I)-bound isonitriles. The reaction involves an initial oxidative addition of the Se-Cl moiety to Au(I), followed by the nucleophilic addition of the pyridine fragment to the isonitrile's C≡N bond, furnishing a metallacycle. Importantly, this is the first example of the pyridine acting as a nucleophile towards metal-bound isonitriles.
View Article and Find Full Text PDFSci Rep
January 2025
Aix Marseille Univ, Université de Toulon, CNRS, CPT, Marseille, France.
The thermoelectric properties of hybrid systems based on a single-level quantum dot coupled to a normal-metal/half-metallic lead and attached to a topological superconductor wire are investigated. The topological superconductor wire is modeled by a spinless p-wave superconductor which hosts both a Majorana bound state at its extremity and above gap quasiparticle excitations. The main interest of our investigation is to study the interplay of sub-gap and single-particle tunneling processes and their contributions to the thermoelectric response of the considered system.
View Article and Find Full Text PDFMutat Res Genet Toxicol Environ Mutagen
January 2025
Research & Development, Kongo Chemical Co., Ltd, Himata, Toyama 9300912, Japan.
Photodegradation of azilsartan yields a phenanthridine derivative (APP). We suspected that APP could be a DNA-reactive substance, since many phenanthridine derivatives are mutagenic. In silico quantitative structure-activity relationship analysis indicated potential mutagenicity of APP, due to DNA reactivity at the 6-aminophenanthridine moiety.
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