We report on the activation of CO2 by the well-defined alkylzinc hydroxide (tBuZnOH)6 in the absence and presence of tBu2Zn as an external proton acceptor. The slight modifications in reaction systems involving organozinc precursors enable control of the reaction products with high selectivity leading to the isolation of the mesoporous solid based on ZnCO3 nanoparticles or an unprecedented discrete alkylzinc carbonate [(tBuZn)2(μ5-CO3)]6 cluster with the Zn-C bond intact, respectively.
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http://dx.doi.org/10.1039/c3cc41639a | DOI Listing |
Appl Biochem Biotechnol
January 2025
Department of Internal Medicine-Cardiovascular, Guangzhou Twelfth People's Hospital, No.1, Tianqiang Road, Tianhe District, Guangzhou City, Guangdong Province, 510620, China.
Myocardial infarction (MI) is a coronary artery-related disease that seriously threatens human life and is the leading cause of sudden death worldwide, where a lack of nutrients and oxygen leads to an inflammatory response and death of cardiomyocytes. Ferroptosis is a form of non-apoptotic cell death associated with metabolic dysfunction, resulting in abnormal breakdown of glutamine and iron-dependent accumulation of reactive oxygen species (ROS) during metabolism. However, the molecular mechanism of ferroptosis in the pathogenesis of MI and the function of Klotho and KRAS on ferroptosis during MI remain unclear.
View Article and Find Full Text PDFJ Mol Model
January 2025
School of National Defense & Nuclear Science and Technology, Southwest University of Science and Technology, Mianyang, 621010, People's Republic of China.
To clarify the effect of heating rate on the thermal decomposition process of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB), this study employs molecular dynamic simulations to investigate the thermal decomposition of TATB at heating rates of 20, 40, 60, and 80 K/ps. The initial temperature is uniformly set to 300 K, while the final temperature is set to 3000 K. Results indicate that within the temperature range of 300-3000 K, the thermal decomposition rate of TATB decreases with increasing heating rate, whereas the initial decomposition temperature of TATB increases, consistent with the experimental pattern.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
January 2025
Harvard University, Rowland Institute at Harvard, 02138, Cambridge, UNITED STATES OF AMERICA.
The dynamic response of heterogeneous catalytic materials to their environment opens a wide variety of possible surface states which may have increased catalytic activity. In this work, we find that it is possible to generate a surface state with increased catalytic activity over metallic 2nm Pt nanoparticles by performing a thermal treatment of the CO*-covered Pt catalyst. This state is characterised by its ability to oxidise CO to CO2 at room temperature.
View Article and Find Full Text PDFLangmuir
January 2025
State Key Laboratory of Power Transmission Equipment Technology, School of Electrical Engineering, Chongqing University, Chongqing 400044, China.
Realizing reliable online detection of characteristic gases (H, CH, CO, and CO) in lithium-ion batteries is crucial to maintain the safe and stable operation of power equipment and new energy storage power plants. In this study, transition metal Pt ( = 1, 3, and 4) clusters are attached to MoSe nanosheets for the first time based on density functional theory using the perfect crystalline facet modification method, and the adsorption characteristics and electronic behaviors of H, CH, CO, and CO are investigated and enhanced. The results show that Pt ( = 1, 3, and 4) is reliably chemically connected to the substrate without any significant deformation of the geometry.
View Article and Find Full Text PDFPhys Chem Chem Phys
January 2025
Department of Chemical Engineering, Northeastern University, Boston, Massachusetts, 02115, USA.
Discovering electrocatalysts that can efficiently convert carbon dioxide (CO) to valuable fuels and feedstocks using excess renewable electricity is an emergent carbon-neutral technology. A single metal atom embedded in doped graphene, , single-atom catalyst (SAC), possesses high activity and selectivity for electrochemical CO reduction (COR) to CO, yet further reduction to hydrocarbons is challenging. Here, using density functional theory calculations, we investigate stability and reactivity of a broad SAC chemical space with various metal centers (3d transition metals) and dopants (2p dopants of B, N, O; 3p dopants of P, S) as electrocatalysts for COR to methane and methanol.
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