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Predicting the health status of lithium-ion batteries is crucial for ensuring safety. The prediction process typically requires inputting multiple time series, which exhibit temporal dependencies. Existing methods for health status prediction fail to uncover both coarse-grained and fine-grained temporal dependencies between these series. Coarse-grained analysis often overlooks minor fluctuations in the data, while fine-grained analysis can be overly complex and prone to overfitting, negatively impacting the accuracy of battery health predictions. To address these issues, this study developed a Hybrid-grained Evolving Aware Graph (HEAG) model for enhanced prediction of lithium-ion battery health. In this approach, the Fine-grained Dependency Graph (FDG) helps us model the dependencies between different sequences at individual time points, and the Coarse-grained Dependency Graph (CDG) is used for capturing the patterns and magnitudes of changes across time series. The effectiveness of the proposed method was evaluated using two datasets. Experimental results demonstrate that our approach outperforms all baseline methods, and the efficacy of each component within the HEAG model is validated through the ablation study.
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Hydrogenation of CO2 to olefin catalyzed by iron-based catalysts is a sustainable and important way to achieve carbon neutrality. In this study, iron-based catalysts were facilely prepared by direct pyrolysis of ferric fumarate (FF), which are applied to CO2 hydrogenation to olefin reaction to explore the effects of pyrolysis temperature and atmosphere on catalytic performance of the catalysts. Among them, NaFe-Air-400 catalyst exhibits the highest catalytic activity with 33.7 %, and light olefin selectivity reaches as high as 47.1 %. The catalytic performance of pyrolytic catalysts is better than that the impregnated NaFe catalyst on activated carbon (NaFe/AC). A series of XRD, Raman and SEM characterization results show a suitable pyrolysis temperature would promote the balance between amorphous carbon and graphene, which can affect the formation of FexCy phase, leading the distinctive activity and olefin selectivity. Hence, the presented one-step pyrolysis methodology would provide a facile and quick synthesis of highly-active iron-based catalyst design for CO2 conversion.
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Cobalt-based catalysts have been widely used for Fischer-Tropsch synthesis (FTS) in industry; however, achieving rational catalyst design at the atomic level and thereby a higher activity and more long-chain-hydrocarbon products simultaneously remain an attractive and difficult challenge. The dual-atomic-site catalysts with unique electronic and geometric interface interactions offer a great opportunity for exploiting advanced FTS catalysts with improved performance. Herein, we designed a Ru1Zr1/Co catalyst with Ru and Zr dual atomic sites on the Co nanoparticle (NP) surface through a metal-organic-framework-mediated synthesis strategy which presents greatly enhanced FTS activity (high turnover frequency of 3.8 × 10-2 s-1 at 200 °C) and C5+ selectivity (80.7%). Control experiments presented a synergic effect between Ru and Zr single-atom site on Co NPs. Further density functional theory calculations of the chain growth process from C1 to C5 revealed that the designed Ru/Zr dual sites remarkably lower the rate-limiting barriers due to the significantly weakened C-O bond and promote the chain growth processes, resulting in the greatly boosted FTS performance. Therefore, our work demonstrates the effectiveness of dual-atomic-site design in promoting the FTS performance and provides new opportunities for developing efficient industrial catalysts.
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Syngas conversion can play a vital role in providing energy and chemical supplies while meeting environmental requirements as the world gradually shifts toward a net-zero. While prospects of this process cannot be doubted, there is a lingering challenge in distinct product selectivity over the bulk transitional metal catalysts. To advance research in this respect, composite catalysts comprising traditional metal catalysts and zeolites have been deployed to distinct product selectivity while suppressing side reactions. Zeolites are common but highly efficient materials used in the chemical industry for hydroprocessing. Combining the advantages of zeolites and some transition metal catalysts has promoted the catalytic production of various hydrocarbons (e.g., light olefins, aromatics, and liquid fuels) and oxygenates (e.g., methanol, dimethyl ether, formic acid, and higher alcohols) from syngas. In this outlook, a thorough revelation on recent progress in syngas conversion to various products over metal-zeolite composite catalysts is validated. The strategies adopted to couple the metal species and zeolite material into a composite as well as the consequential morphologies for specific product selectivity are highlighted. The key zeolite descriptors that influence catalytic performance, such as framework topologies, proximity and confinement effects, acidities and cations, pore systems, and particle sizes are discussed to provide a deep understanding of the significance of zeolites in syngas conversion. Finally, an outlook regarding challenges and opportunities for syngas conversion using zeolite-based catalysts to meet emerging energy and environmental demands is also presented.
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Heat shock protein 90 (HSP90) is a member of genetically conserved heat shock protein family. As an important molecular chaperone in eukaryotic cells, HSP90 plays a key regulatory role in maintaining cellular protein homeostasis. HSP90 clients encompass a wide range of proteins, thus HSP90 is involved in diverse biological process. With the deeper study, it is found that HSP90 takes an important part in the development and metastasis of cancer,and has become a promising target for the study of anticancer biology. We review the progress of HSP90 as molecular chaperone and its relationship with cancer.
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Differences of protonated and lithiated leucine-enkephalin(LE) were investigated by hydrogen deuterium exchange-mass spectrometry(HDX-MS) combined with quantum chemistry calculation. The results revealed that the protonated ions possessed very high product yield with all hydrogen atoms being exchanged, while the reaction of lithiated LE stopped after exchanging five hydrogen atoms in the same experimental conditions. The different HDX behaviours probably indicated their conformational differences. To further clarify the experimental results, the most stable conformations of protonated and lithiated leucine-enkephalin were calculated by density functional theory. It was found that terminal amino group was the most thermodynamically stable protonation site,while Li+in coordination of four carbonyl oxygen atoms formed the most favourable lithiated LE. The reaction field reduction of lithium LE was probably due to the less acidity of hydrogen atoms and the increasing rigid conformation change induced by lithium ion.
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Copper nanoparticles loaded inside or outside carbon nanotubes (CNTs) were prepared by a simple wet chemistry method. The structures and physicochemical properties of the obtained materials were characterized by X-ray diffraction (XRD) and transmission electron microscopy (TEM). Methyl acetate (MA) hydrogenation forming methanol and ethanol was chosen as the application to explore the catalytic performances of copper inside and outside CNTs. The reaction results indicated that the catalytic activity of Cu-inside-CNTs catalyst was significantly higher than that of Cu-outside-CNTs because of the space confined effects. Furthermore, the influences of Cu content on CNTs to the catalytic performance were also investigated.