72 hasil
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Chemical Science
Scopus
ISSN 2041-6520 · Royal Society of Chemistry · 72 artikel di indeks
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Artikel Jurnal Teks lengkap
Hard carbon for sodium-ion batteries: progress, strategies and future perspective
Because of its abundant resources, low cost and high reversible specific capacity, hard carbon (HC) is considered as the most likely commercial anode material for sodium-ion batteries (SIBs). Therefore, reasonable design and effective strategies to regulate the structure of HCs play a crucial role…
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A review of large language models and autonomous agents in chemistry
Large language models (LLMs) have emerged as powerful tools in chemistry, significantly impacting molecule design, property prediction, and synthesis optimization. This review highlights LLM capabilities in these domains and their potential to accelerate scientific discovery through automation. We…
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A new era of LMCT: leveraging ligand-to-metal charge transfer excited states for photochemical reactions
Ligand-to-metal charge transfer (LMCT) excited states are capable of undergoing a wide array of photochemical reactions, yet receive minimal attention compared to other charge transfer excited states. This work provides general criteria for designing transition metal complexes that exhibit low…
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Water-stable metal–organic frameworks (MOFs): rational construction and carbon dioxide capture
, natural gas). Due to their excellent adsorption performances, MOFs are considered as a promising adsorbent that can capture carbon dioxide efficiently and energetically, and many water-stable MOFs have been used to capture carbon dioxide in various scenarios, including flue gas decarbonization…
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AlphaFold accelerates artificial intelligence powered drug discovery: efficient discovery of a novel CDK20 small molecule inhibitor
A novel CDK20 small molecule inhibitor discovered by artificial intelligence based on an AlphaFold-predicted structure demonstrates the first application of AlphaFold in hit identification for efficient drug discovery.
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PoseBusters: AI-based docking methods fail to generate physically valid poses or generalise to novel sequences
The last few years have seen the development of numerous deep learning-based protein-ligand docking methods. They offer huge promise in terms of speed and accuracy. However, despite claims of state-of-the-art performance in terms of crystallographic root-mean-square deviation (RMSD), upon closer…
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A field guide to flow chemistry for synthetic organic chemists
Flow chemistry has unlocked a world of possibilities for the synthetic community, but the idea that it is a mysterious "black box" needs to go. In this review, we show that several of the benefits of microreactor technology can be exploited to push the boundaries in organic synthesis and to unleash…
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Insights into alloy/oxide or hydroxide interfaces in Ni–Mo-based electrocatalysts for hydrogen evolution under alkaline conditions
on the surface to achieve high activity. Therefore, the activity of Ni-Mo catalysts probably originates from the interfaces of alloy-oxide or alloy-hydroxide, in which the oxide or hydroxide promotes water dissociation and the alloy accelerates hydrogen combination. These new understandings will…
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MGraphDTA: deep multiscale graph neural network for explainable drug–target binding affinity prediction
Predicting drug-target affinity (DTA) is beneficial for accelerating drug discovery. Graph neural networks (GNNs) have been widely used in DTA prediction. However, existing shallow GNNs are insufficient to capture the global structure of compounds. Besides, the interpretability of the graph-based…
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Organothianthrenium salts: synthesis and utilization
Organothianthrenium salts are a class of compounds containing a positively charged sulfur atom and a neutral sulfur atom. Over the past years, organothianthrenium salts have been emerging as attractive precursors for a myriad of transformations to forge new C-C and C-X bonds due to their unique…
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Regulation of the Si/Al ratios and Al distributions of zeolites and their impact on properties
The impact of Si/Al ratios and Al distributions on the catalysis, adsorption/separation, and ion-exchange performance of zeolites were subsequently demonstrated. Finally, we presented a perspective on the precise control of the Si/Al ratios and Al distributions of zeolites and the corresponding…
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Bicyclobutanes: from curiosities to versatile reagents and covalent warheads
carbons, and limited appearance in the patent literature. Among strained ring systems, bicyclo[1.1.0]butane (BCB) stands apart as the smallest bicyclic carbocycle and is amongst the most strained carbocycles known. Despite the fact that BCBs have been synthesized and studied for well over 50 years…
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Recent progress on MOF-based optical sensors for VOC sensing
), MOFs coupled with optical sensors feature distinctive strength. This review summarized the latest advancements in MOF-based optical sensors with a particular focus on VOC sensing. The subject is discussed by different mechanisms: colorimetry, luminescence, and sensors based on optical index…
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Non-concentrated aqueous electrolytes with organic solvent additives for stable zinc batteries
O + DMC electrolytes sustain stable operation of RAZBs pairing Zn anodes with diverse cathode materials such as vanadium pentoxide, manganese dioxide, and zinc hexacyanoferrate. Rational electrolyte design with organic solvent additives would promote building better aqueous batteries.
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Design of BODIPY dyes as triplet photosensitizers: electronic properties tailored for solar energy conversion, photoredox catalysis and photodynamic therapy
BODIPYs are renowned fluorescent dyes with strong and tunable absorption in the visible region, high thermal and photo-stability and exceptional fluorescence quantum yields. Transition metal complexes are the most commonly used triplet photosensitisers, but, recently, the use of organic dyes has…
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Recent advances of cancer chemodynamic therapy based on Fenton/Fenton-like chemistry
Fenton and Fenton-like reactions. Without external stimulus and drug resistance generation, reactive oxygen species (ROS)-mediated CDT exhibits a specific and desirable anticancer effect and has been seen as a promising strategy for cancer therapy. However, optimizing the treatment efficiency of…
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Recent advances in single atom catalysts for the electrochemical carbon dioxide reduction reaction
The electrochemical carbon dioxide reduction reaction (CO 2 RR) offers a promising solution to mitigate carbon emission and at the same time generate valuable carbonaceous chemicals/fuels.
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CRISPR technology incorporating amplification strategies: molecular assays for nucleic acids, proteins, and small molecules
-cleavage activity of Cas12 and Cas13, and unwinding and nicking ability of Cas9. Integrating a CRISPR-Cas system after nucleic acid amplification improves detection specificity due to RNA-guided recognition of specific sequences of amplicons. Incorporating CRISPR-Cas before nucleic acid…
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Plasmonic photothermal catalysis for solar-to-fuel conversion: current status and prospects
O into value-added products. We first introduce two types of mechanism and their applications by which reactions on plasmonic nanostructures can be initiated: either by photo-induced hot carriers (plasmonic photocatalysis) or by light-excited phonons (photothermal catalysis). Then, we emphasize…
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Recent advances of AIE light-up probes for photodynamic therapy
As a new non-invasive treatment method, photodynamic therapy (PDT) has attracted great attention in biomedical applications. The advantages of possessing fluorescence for photosensitizers have made it possible to combine imaging and diagnosis together with PDT. The unique features of…