Microstructure and improved hydrogen generation performance via hydrolysis of Mg–Ca alloys with TiC and Ni addition

International Journal of Hydrogen Energy, Год журнала: 2024, Номер 87, С. 879 - 889

Опубликована: Сен. 11, 2024

Язык: Английский

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Biphasic Catalytic Conversion of Olefins in Aqueous Media: A Systematic Review

International Journal of Molecular Sciences, Год журнала: 2025, Номер 26(9), С. 4028 - 4028

Опубликована: Апрель 24, 2025

Aqueous biphasic catalysis has gained recognition as a sustainable and efficient method that combines the advantages of both homogeneous heterogeneous catalytic systems. This approach enables separation recycling catalysts, leading to reduced environmental impact lower operational costs. A key component this is use transition metal which are crucial for facilitating various reactions when paired with different types ligands, primarily hydrophiles. combination essential achieving high success rates in recyclable The reaction conditions, including temperature, pressure, pH, significantly influence performance. However, challenges such limited substrate solubility catalyst leaching persist, underscoring need further research into advanced ligand design, immobilization techniques, scalable process integration. review systematically examines recent experiments aqueous olefins, following Preferred Reporting Items Systematic Reviews Meta-Analyses framework. From an initial pool 597 articles, 104 were found be relevant focused specifically on catalysis. study investigates reactions, factors these systems facilitate them. By highlighting progress ongoing challenges, work underscores potential bridge gap between green chemistry principles industrial applications.

Язык: Английский

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Molecular and Descriptor Spaces for Predicting Initial Rate of Catalytic Homogeneous Quinoline Hydrogenation with Ru, Rh, Os, and Ir Catalysts

ACS Omega, Год журнала: 2025, Номер unknown

Опубликована: Апрель 29, 2025

Developing highly active catalysts for quinoline hydrogenation is crucial efficient hydrogen carrier technologies and clean fossil fuel hydrodenitrogenation. In this work, we employed Tensor Algebra-based 3D-Geometrical Molecular Descriptors (QuBiLS-MIDAS) to develop Quantitative Structure-Property Relationship (QSPR) models predicting the initial rate of homogeneous catalyzed by transition metal complexes Ru, Rh, Os, Ir. A data set 32 catalytic precursors was used: 25 model training (training set) 7 external validation (testing set). Multiple linear regression analysis yielded a with good predictive ability (R 2 = 0.90) satisfactory testing (QEXT 0.86). The model's descriptors highlighted importance hardness, softness, electrophilicity, mass in activity. virtual screening revealed that Rh Ir π-acidic ligands (e.g., olefins, diolefins, η5-Cp) nitrile exhibited highest predicted activity, suggesting potential further improvement through ligand structural modification. Notably, iridium complexes, particularly those tri(cyclopropyl)phosphine ligands, demonstrated significant storage, transport, production, underscoring their relevance sustainable energy systems. These findings demonstrate QuBiLS-MIDAS approach silico design processes.

Язык: Английский

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A detailed DFT theoretical investigation of the mechanism of quinoline hydrogenation catalyzed by a (1,5-cyclooctadiene)rhodium(I) complex

Catalysis Today, Год журнала: 2024, Номер unknown, С. 115160 - 115160

Опубликована: Дек. 1, 2024

Язык: Английский

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Hybrid Metal Catalysts as Valuable Tools in Organic Synthesis: An Overview of the Recent Advances in Asymmetric C─C Bond Formation Reactions

Molecules, Год журнала: 2024, Номер 29(21), С. 5090 - 5090

Опубликована: Окт. 28, 2024

Carbon–carbon bond formation represents a key reaction in organic synthesis, resulting paramount importance for constructing the carbon backbone of molecules. However, traditional metal-based catalysis, despite its advantages, often struggles with issues related to efficiency, selectivity, and sustainability. On other hand, while biocatalysis offers superior selectivity due an extraordinary recognition process substrate, scope applicable reactions remains somewhat limited. In this context, Artificial Metalloenzymes (ArMs) Metallo Peptides (MPs) offer promising not fully explored solution, merging two fields transition metal catalysis biotransformations, by inserting catalytically active cofactor into customizable protein scaffold or coordinating ion directly short tunable amino acid (Aa) sequence, respectively. As result, these hybrid catalysts have gained attention as valuable tools challenging catalytic transformations, providing systems new-to-nature properties synthesis. This review overview recent advances development ArMs MPs, focusing on their application asymmetric carbon–carbon bond-forming reactions, such carbene insertion, Michael additions, Friedel–Crafts cross-coupling cyclopropanation, underscoring versatility synthesizing biologically relevant compounds.

Язык: Английский

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Special issue on advances in catalysis in aqueous media

Catalysis Today, Год журнала: 2024, Номер 447, С. 115163 - 115163

Опубликована: Дек. 10, 2024

Язык: Английский

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