The interface site between metal and support possess unique electronic and morphological structure, providing distinct active centers for favorable reaction in catalytic conversion of biomass derivatives to valuable chemicals. In this study, a series of Cu-Co/CeO catalysts were prepared for hydrogenolysis of 5-hydroxymethylfurfural (HMF) to 2,5-dimethylfuran (DMF) via reduction of the corresponding layered double hydroxide precursors. The characterizations indicated the formation of CoCe-Vö interface (Vö denotes oxygen vacancy) and the effect of hydrogen spillover from Cu species to CoCe-Vö interface. Furthermore, the experiments and theoretical calculations verified that CoCe-Vö interface could activate the CO bond. The optimized catalyst showed a DMF yield of > 90% at 180 °C and 1.5 MPa H with no deactivation in the cycling tests. This study reveals the interfacial effects of the nanocatalysts, including the oxygen vacancies and hydrogen spillover, on hydrogenolysis of HMF, which provided a simple and efficient approach for synthesis of high-performance non-noble metal nanocatalysts applied to the hydrogenolysis of various biomass derivatives.
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http://dx.doi.org/10.1016/j.jcis.2022.01.168 | DOI Listing |
J Chem Inf Model
January 2025
Department of Computational and Quantitative Medicine, Beckman Research Institute of the City of Hope, 1218 S 5th Ave, Monrovia, California 91016, United States.
Bayesian network modeling (BN modeling, or BNM) is an interpretable machine learning method for constructing probabilistic graphical models from the data. In recent years, it has been extensively applied to diverse types of biomedical data sets. Concurrently, our ability to perform long-time scale molecular dynamics (MD) simulations on proteins and other materials has increased exponentially.
View Article and Find Full Text PDFLangmuir
January 2025
College of Materials Science and Engineering, Sichuan University, Chengdu 610064, China.
Metallic Zn is a promising anode for high-safety, low-cost, and large-scale energy storage systems. However, it is strongly hindered by unstable electrode/electrolyte interface issues, including zinc dendrite, corrosion, passivation, and hydrogen evolution reactions. In this work, an in situ interface protection strategy is established by turning the corrosion/passivation byproducts (zinc hydroxide sulfates, ZHSs) into a stable hybrid protection layer.
View Article and Find Full Text PDFActa Crystallogr F Struct Biol Commun
February 2025
Department of Structural Biology, Jacobs School of Medicine and Biomedical Sciences, University at Buffalo, State University of New York, Buffalo, New York, USA.
Periodontal diseases afflict 20-50% of the global population and carry serious health and economic burdens. Chronic periodontitis is characterized by inflammation of the periodontal pocket caused by dysbiosis. This dysbiosis is coupled with an increase in the population of Treponema denticola, a spirochete bacterium with high mobility and invasivity mediated by a number of virulence factors.
View Article and Find Full Text PDFJMIR Form Res
January 2025
ICMR-National Institute for Research in Digital Health and Data Science, Ansari Nagar, New Delhi, 110029, India, 91 7840870009.
Background: Verbal autopsy (VA) has been a crucial tool in ascertaining population-level cause of death (COD) estimates, specifically in countries where medical certification of COD is relatively limited. The World Health Organization has released an updated instrument (Verbal Autopsy Instrument 2022) that supports electronic data collection methods along with analytical software for assigning COD. This questionnaire encompasses the primary signs and symptoms associated with prevalent diseases across all age groups.
View Article and Find Full Text PDFACS Appl Mater Interfaces
January 2025
Beijing Key Laboratory of Construction-Tailorable Advanced Functional Materials and Green Applications Experimental Center of Advanced Materials, School of Materials Science and Engineering, Beijing Institute of Technology, Beijing 100081, China.
Metal halide perovskites (MHPs) are promising materials for radiation detection. Compared with polycrystalline films, single crystals (SCs) have lower defect density, higher carrier mobility, and lifetime. However, the direct synthesis of MHP SCs for large-area flat panel imaging detectors remains challenging.
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