Biocatalytic enzymes in food packaging, biomedical, and biotechnological applications: A comprehensive review

International Journal of Biological Macromolecules, Год журнала: 2025, Номер unknown, С. 140069 - 140069

Опубликована: Янв. 1, 2025

Язык: Английский

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First-principles calculations to investigate structural, electronic, and optical properties of AgWO4 and PdWO4 tungstate materials for optoelectronic applications

Next Materials, Год журнала: 2024, Номер 4, С. 100113 - 100113

Опубликована: Янв. 16, 2024

The optoelectronic devices play a crucial role in our daily lives by seamlessly integrating optics and electronics, enabling technologies like smartphones, solar cells, optical communication. Solar cells have been very vital terms of providing sustainable clean energy. Conventional Perovskite-based possess limitations stability toxicity. Recently, ABO4-type materials gained attention due to their structural suitable properties for cell applications. structural, electronic, AgWO4 PdWO4 explored using the first principal simulations line with density functional theory (DFT) WIEN2K simulation software. Perdew-Burke-Ernzerhof Generalized-Gradient-Approximation (PBE-GGA) is acclimated optimize geometry both under consideration. Trans-Balha modified Becke-Johnson approximation (TB-mBJ) implemented study materials' properties. Structural analysis revealed stable structure monoclinic phase increasing lattice parameters decreased unit volume upon replacement Ag Pd cation on A site. Both ' negative values ground state energies indicate compounds. Upon band PdWO4, it found that gap 1.34eV 0.73eV,respectively, signifying consideration are semiconductors, potential controlled flow electrical charges, coming up promising various Optical characteristics were examined depth framework hypothetical dielectric constant. It has discovered function broad span energy integrity when comes its function. Materials narrow bandgaps excellent UV light absorption

Язык: Английский

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A mini review on the applications of artificial intelligence (AI) in surface chemistry and catalysis

Tenside Surfactants Detergents, Год журнала: 2024, Номер 61(4), С. 285 - 296

Опубликована: Апрель 29, 2024

Abstract This review critically analyzes the incorporation of artificial intelligence (AI) in surface chemistry and catalysis to emphasize revolutionary impact AI techniques this field. The current examines various studies that using techniques, including machine learning (ML), deep (DL), neural networks (NNs), catalysis. It reviews literature on application models predicting adsorption behaviours, analyzing spectroscopic data, improving catalyst screening processes. combines both theoretical empirical provide a comprehensive synthesis findings. demonstrates applications have made remarkable progress properties nanostructured catalysts, discovering new materials for energy conversion, developing efficient bimetallic catalysts CO 2 reduction. AI-based analyses, particularly advanced NNs, provided significant insights into mechanisms dynamics catalytic reactions. will be shown plays crucial role by significantly accelerating discovery enhancing process optimization, resulting enhanced efficiency selectivity. mini-review highlights challenges data quality, model interpretability, scalability, ethical, environmental concerns AI-driven research. importance continued methodological advancements responsible implementation

Язык: Английский

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Disruptive Technologies

Advances in logistics, operations, and management science book series, Год журнала: 2024, Номер unknown, С. 65 - 90

Опубликована: Июль 12, 2024

In the ever-evolving landscape of technological advancements, role basic science cannot be overstated. Disruptive technologies, driven by fundamental scientific discoveries, have potential to transform industries and pave way for sustainable solutions. This chapter explores intricate relationship between disruptive delving into examples how breakthroughs in various fields catalyze industry transformations. From renewable energy healthcare beyond, authors will explore profound impact that has on shaping a more future.

Язык: Английский

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A New Era in Catalysis: Combining Al, DFT, Single Atom Catalysis, and Comprehensive Characterizations applied to Catalytic Oxidation of C1-C4 Volatile Organic Compounds

Journal of environmental chemical engineering, Год журнала: 2025, Номер 13(1), С. 115282 - 115282

Опубликована: Янв. 5, 2025

Язык: Английский

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Phyto-fabrication and characterization of ZnFe2O4@AC nanocomposite catalyst via green pathway and its application for the synthesis of some Quinazolin-4(1H)-one derivatives

Polyhedron, Год журнала: 2025, Номер unknown, С. 117438 - 117438

Опубликована: Фев. 1, 2025

Язык: Английский

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Au-Ag bimetallic nanoparticles: Synthesis, structure, and application in sensing

ChemPhysMater, Год журнала: 2025, Номер unknown

Опубликована: Март 1, 2025

Язык: Английский

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Dual-molecule enhanced MXene films for high specific capacitance in supercapacitors

Journal of Power Sources, Год журнала: 2025, Номер 641, С. 236895 - 236895

Опубликована: Апрель 2, 2025

Язык: Английский

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Safety and environmental concerns in phase-transfer catalysis

Elsevier eBooks, Год журнала: 2025, Номер unknown, С. 217 - 233

Опубликована: Янв. 1, 2025

Язык: Английский

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From waste to fuel: Harnessing high specificity lipases from Candida rugosa fermentation for sustainable biodiesel

Bioresource Technology Reports, Год журнала: 2025, Номер unknown, С. 102039 - 102039

Опубликована: Янв. 1, 2025

Язык: Английский

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