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A fundamental challenge in quantum thermodynamics is the exploration of inherent dimensional constraints in thermodynamic machines. In the context of two-level systems, the most compact refrigerator necessitates the involvement of three entities, operating under self-contained conditions that preclude the use of external work sources. Here, we build such a smallest refrigerator using a nuclear spin system, where three distinct two-level carbon-13 nuclei in the same molecule are involved to facilitate the refrigeration process. The self-contained feature enables it to operate without relying on net external work, and the unique mechanism sets this refrigerator apart from its classical counterparts. We evaluate its performance under varying conditions and systematically scrutinize the cooling constraints across a spectrum of scenarios, which sheds light on the interplay between quantum information and thermodynamics.
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http://dx.doi.org/10.1103/PhysRevLett.132.210403 | DOI Listing |
Beilstein J Org Chem
August 2025
Department of Chemistry, Institute of Natural Sciences, Federal University of Lavras, 37200-900, Lavras, MG, Brazil.
Cyclopropane is a significant alicyclic motif, widely utilized in medicinal chemistry, while fluorination serves as a powerful tool to modulate properties that enhance the performance of pharmaceuticals and materials. This quantum-chemical study explores the energetic implications of fluorinating cyclopropane, providing insights into molecular characteristics arising from the polar C-F bond. Isodesmic reactions revealed that the conversion of cyclopropane and methyl fluoride into mono-, di-, tri-, tetra-, penta-, and hexafluorinated cyclopropanes is exothermic, except for the all--1,2,3-trifluorocyclopropane ().
View Article and Find Full Text PDFJ Biomol NMR
September 2025
Department of Structural Biology, St. Jude Children's Research Hospital, Memphis, TN, 38105, USA.
Biomolecular dynamics in the microsecond-to-millisecond (µs-ms) timescale are linked to various biological functions, such as enzyme catalysis, allosteric regulation, and ligand recognition. In solution state NMR, Carr-Purcell-Meiboom-Gill (CPMG) relaxation dispersion experiments are commonly used to probe µs-ms timescale motions, providing detailed kinetic, thermodynamic, and mechanistic information at the atomic level. For investigating conformational dynamics in high-molecular-weight biomolecules, methyl groups serve as ideal probes due to their favorable relaxation properties, and C CPMG relaxation dispersion is widely employed for characterizing dynamics in selectively CH-labeled samples.
View Article and Find Full Text PDFJ Phys Chem A
September 2025
Univ. Rennes, CNRS, IPR (Institut de Physique de Rennes), UMR 6251, Rennes F-35000, France.
We present the first dataset of collisional (de)-excitation rate coefficients of HCN induced by CO, one of the main perturbing gases in cometary atmospheres. The dataset spans the temperature range of 5-50 K. It includes both state-to-state rate coefficients involving the lowest ten and nine rotational levels of HCN and CO, respectively, and the so-called "thermalized" rate coefficients over the rotational population of CO at each kinetic temperature.
View Article and Find Full Text PDFProc Natl Acad Sci U S A
September 2025
Geballe Laboratory for Advanced Materials, Stanford University, Stanford, CA 94305.
The iron-based high-[Formula: see text] superconductors (SCs) exhibit rich phase diagrams with intertwined phases, including magnetism, nematicity, and superconductivity. The superconducting [Formula: see text] in many of these materials is maximized in the regime of strong nematic fluctuations, making the role of nematicity in influencing the superconductivity a topic of intense research. Here, we use the AC elastocaloric effect (ECE) to map out the phase diagram of Ba(FeCo)As near optimal doping.
View Article and Find Full Text PDFACS Omega
September 2025
Aarhus University, Department of Chemistry, Langelandsgade 140, Aarhus DK 8000, Denmark.
Accurately modeling the binding free energies associated with molecular cluster formation is critical for understanding atmospheric new particle formation. Conventional quantum-chemistry methods, however, often struggle to describe thermodynamic contributions, particularly in systems exhibiting significant anharmonicity and configurational complexity. We employed umbrella sampling, an enhanced-sampling molecular dynamics technique, to compute Gibbs binding free energies for clusters formed from a diverse set of new particle formation precursors, including sulfuric acid, ammonia, dimethylamine, and water.
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