In silico design of biomass-to-hydrogen Pathways: A review
Kakimova A.B. Sadvakasova A.K. Kossalbayev B.D. Zadneprovskaya E.V. Xu T. Zaletova D. Allakhverdiev S.I.
30 September 2025Elsevier Ltd
International Journal of Hydrogen Energy
2025#173
Hydrogen production from biomass has emerged as a promising renewable energy solution. However, significant challenges such as thermodynamic inefficiencies, high raw material costs, low hydrogen molar yields, and difficulties in using lignocellulosic feedstocks hinder its large-scale implementation. Conventional methods have not been able to effectively address these issues, which makes modern approaches, such as in silico strategies, essential. This review explores the role of computational models like genome-scale metabolic modeling, synthetic biology, and metabolic pathway reconstruction in overcoming these barriers. By utilizing vast genomic databases and advanced computational tools, researchers can optimize microbial systems, improve hydrogen yields, and design more efficient biohydrogen production processes. These in silico methods provide a pathway to enhance the efficiency of biomass processing and enable the development of scalable and sustainable hydrogen production technologies. The review highlights recent advancements and discusses the potential of in silico approaches to address key technological and economic limitations, paving the way for the future of biohydrogen energy.
Economic feasibility , Green biomass , Hydrogen production , In silico modeling , Lignocellulosic biorefineries
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Faculty of Biology and Biotechnology, Al-Farabi Kazakh National University, Al-Farabi 71, Almaty, 050038, Kazakhstan
Department of Chemical and Biochemical Engineering, Institute of Geology and Oil-Gas Business Institute Named After K. Turyssov, Satbayev University, Satpaev 22, Almaty, 050043, Kazakhstan
Ecology Research Institute, Khoja Akhmet Yassawi International Kazakh-Turkish University, Turkistan, 161200, Kazakhstan
K.A. Timiryazev Institute of Plant Physiology, Russian Academy of Sciences, Botanicheskaya Street 35, Moscow, 127276, Russian Federation
College of Energy Engineering, Xian University of Science and Technology, No.48 Shangu Avenue, Shaanxi, Xian, 710600, China
Faculty of Engineering and Natural Sciences, Bahçeşehir University, Istanbul, Turkey
Faculty of Biology and Biotechnology
Department of Chemical and Biochemical Engineering
Ecology Research Institute
K.A. Timiryazev Institute of Plant Physiology
College of Energy Engineering
Faculty of Engineering and Natural Sciences
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