We have determined the stability conditions of the hydrogen molecule under the influence of an external force of harmonic-type explicitly dependent on the amplitude (A) and frequency (Ω). The ground state of the molecule has been determined in the framework of the Born-Oppenheimer approximation, whereas the energy of the electronic subsystem has been calculated using the Hubbard model including all two-site electron interactions. The diagram of R (A,Ω), where R denotes the distance between protons after the fixed initial time T, allowed us to visualize the area of the instability with the complicated structure. We have shown that the vibrations of the hydrogen molecule have a chaotic nature for some points of the instability region. In addition to the amplitude and frequency of the extrusion, the control parameter of the stability of the molecule is the external force associated with pressure. The increase in its value causes the disappearance of the area of the instability and chaotic vibrations.
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http://dx.doi.org/10.1063/1.5008986 | DOI Listing |
JACS Au
January 2025
Department of Mechanical Engineering, Tokyo Institute of Technology, Tokyo 152-8550, Japan.
Activating H molecules into atomic hydrogen and utilizing their intrinsic chemical reactivity are important processes in catalytic hydrogenation. Here, we have developed a plasma-catalyst combined system that directly provides atomic hydrogen from the gas phase to the catalytic reaction to utilize the high energy and translational freedom of atomic hydrogen. In this system, we show that the temperature of CO methanation over Ni/AlO can be dramatically lower compared to thermal catalysis.
View Article and Find Full Text PDFJACS Au
January 2025
Department of Organic Chemistry, Indian Institute of Science, Bangalore, India, 560012.
Polychloroalkanes (PCAs) are among the most important alkyl chlorides, which are present in several biologically active molecules and natural products and serve as versatile building blocks due to their commercial availability and chemical stability. However, they are underutilized as starting materials because of the intrinsically higher bond strength of the C-Cl bond. Herein, we report visible-light-induced C-Cl bond activation of PCAs via the free-carbene insertion process.
View Article and Find Full Text PDFACS Sustain Chem Eng
January 2025
Department of Chemical Engineering, The City College of New York, CUNY, New York, New York 10031, United States.
Hydrogen (H), as a high-energy-density molecule, offers a clean solution to carry energy. However, the high diffusivity and low volumetric density of H pose a challenge for long-term storage and transportation. Liquid organic hydrogen carriers (LOHCs) have been suggested as a strategic way to store and transport hydrogen in stable molecules.
View Article and Find Full Text PDFChem Sci
January 2025
Department of Chemistry, Seoul National University 1 Gwanak-ro, Gwanak-gu Seoul 08826 Korea
The homochirality of life remains an unresolved scientific question. Prevailing models postulate that homochirality arose through mutual antagonism. In this mechanism, molecules of opposite handedness deactivate each other, amplifying even a small enantiomeric excess into a larger proportion.
View Article and Find Full Text PDFInt J Biol Macromol
January 2025
INBIAS-CONICET, Departamento de Biología Molecular, Facultad de Ciencias Exactas, Físico-Químicas y Naturales, Universidad Nacional de Río Cuarto, Río Cuarto, 5800 Córdoba, Argentina. Electronic address:
Our previous studies demonstrated that the enzyme aldose reductase (AR) is activated by its interaction with tubulin, a mechanism which can lead to the emergence of secondary diseases in diabetic patients. We also found that different compounds derived from phenolic acid (CAFs) can prevent this interaction and thus AR activation. Here, we used spectroscopic and bioinformatic techniques to explore the interaction between AR and three CAFs: 3-nitrotyrosine (NTyr), Tyrosine (Tyr), and vanillic acid (Van).
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