Journal of Catalyst & Catalysis
Volume 13, Issue 2 (2026)
Table of contents
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Modern Catalytic Systems: Mechanisms, Materials Engineering, and Sustainable Applications
Abstract: Catalysis is a fundamental pillar of modern chemical science and industrial manufacturing, enabling efficient production of fuels, chemicals, pharmaceuticals, polymers, and environmentally important products through the acceleration of chemical reactions and reduction of activation energy barriers. This review provides a comprehensive overview of contemporary catalytic systems, with emphasis on the relationship between catalyst structure, reaction mechanisms, catalytic performance, and long-term stability. The discussion begins with the classification of homogeneous, heterogeneous, …
Published in Journal of Catalyst & Catalysis · Vol. 13, Issue 2, 2026 · pp. 01–09 Read article
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Production of Oil from Agro Seeds using Mechanothermal Extraction: A Review of Chemical, Pharmaceutical, and Food Applications
Abstract: The increasing demand for sustainable raw materials and renewable industrial resources has intensified research into the extraction of oils from agro seeds for chemical, pharmaceutical, and food applications. Agro-seed oils are valuable due to their biodegradability, nutritional composition, eco-friendliness, and wide industrial applicability. This review examines the production of oil from agro seeds using mechanothermal extraction techniques with emphasis on extraction efficiency, physicochemical characteristics, and industrial utilization. Mechanothermal extraction combines …
Published in Journal of Catalyst & Catalysis · Vol. 13, Issue 2, 2026 · pp. 09–26 Read article
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Multiscale Catalytic Strategies for Sustainable Chemical Production: Integrating Computational Catalysis, Process Technology and Biocatalytic Transformations
Abstract: The transition toward sustainable chemical manufacturing requires catalytic technologies capable of maximizing resource efficiency, minimizing greenhouse gas emissions, and enabling the utilization of renewable feedstocks. Recent advances in computational catalysis, process technology, and biocatalytic transformations have created opportunities for the development of integrated catalytic platforms spanning molecular, reactor, and process scales. Density functional theory (DFT), machine learning-assisted catalyst discovery, and multiscale modeling have accelerated the rational design of heterogeneous, homogeneous, …
Published in Journal of Catalyst & Catalysis · Vol. 13, Issue 2, 2026 · pp. 27–35 Read article
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Integrated Computational and Bio-catalytic Transformations: DFT-Guided Mechanistic Insights, Machine Learning, and Nano-biocatalyst Engineering for Sustainable Catalysis
Abstract: Computational catalysis has emerged as a transformative scientific discipline that integrates quantum chemistry, molecular modeling, machine learning, and density functional theory (DFT) to understand catalytic mechanisms and design highly efficient catalytic systems for sustainable industrial applications. The increasing global demand for environmentally responsible chemical manufacturing has accelerated research on advanced catalytic materials including transition metal catalysts, metal–organic frameworks (MOFs), homogeneous catalysts, heterogeneous systems, and bimetallic catalysts involving nickel and iron. …
Published in Journal of Catalyst & Catalysis · Vol. 13, Issue 2, 2026 · pp. 36–44 Read article
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From Quantum Chemistry to Bioprocess Intensification: Advanced Computational Modeling and Enzyme-Based Catalytic Platforms for Green Chemical Transformations
Abstract: Green chemistry requires the development of sustainable catalytic systems that minimize waste generation, reduce energy consumption, and improve process efficiency. Computational chemistry and biocatalysis have emerged as complementary approaches for environmentally responsible chemical manufacturing. Computational techniques such as quantum chemistry, density functional theory (DFT), molecular dynamics, and machine learning provide mechanistic insights into catalytic reactions and support the rational design of efficient catalysts. These approaches enable the prediction of reaction …
Published in Journal of Catalyst & Catalysis · Vol. 13, Issue 2, 2026 · pp. 45–52 Read article