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      Harnessing the power of machine learning for carbon capture, utilisation, and storage (CCUS) – a state-of-the-art review

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          Abstract

          A review of the state-of-the-art applications of machine learning for CO 2 capture, transport, storage, and utilisation.

          Abstract

          Carbon capture, utilisation and storage (CCUS) will play a critical role in future decarbonisation efforts to meet the Paris Agreement targets and mitigate the worst effects of climate change. Whilst there are many well developed CCUS technologies there is the potential for improvement that can encourage CCUS deployment. A time and cost-efficient way of advancing CCUS is through the application of machine learning (ML). ML is a collective term for high-level statistical tools and algorithms that can be used to classify, predict, optimise, and cluster data. Within this review we address the main steps of the CCUS value chain (CO 2 capture, transport, utilisation, storage) and explore how ML is playing a leading role in expanding the knowledge across all fields of CCUS. We finish with a set of recommendations for further work and research that will develop the role that ML plays in CCUS and enable greater deployment of the technologies.

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          In situ click chemistry generation of cyclooxygenase-2 inhibitors

          Cyclooxygenase-2 isozyme is a promising anti-inflammatory drug target, and overexpression of this enzyme is also associated with several cancers and neurodegenerative diseases. The amino-acid sequence and structural similarity between inducible cyclooxygenase-2 and housekeeping cyclooxygenase-1 isoforms present a significant challenge to design selective cyclooxygenase-2 inhibitors. Herein, we describe the use of the cyclooxygenase-2 active site as a reaction vessel for the in situ generation of its own highly specific inhibitors. Multi-component competitive-binding studies confirmed that the cyclooxygenase-2 isozyme can judiciously select most appropriate chemical building blocks from a pool of chemicals to build its own highly potent inhibitor. Herein, with the use of kinetic target-guided synthesis, also termed as in situ click chemistry, we describe the discovery of two highly potent and selective cyclooxygenase-2 isozyme inhibitors. The in vivo anti-inflammatory activity of these two novel small molecules is significantly higher than that of widely used selective cyclooxygenase-2 inhibitors.
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            Synthesis of metal-organic frameworks (MOFs): routes to various MOF topologies, morphologies, and composites.

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              Machine learning: Trends, perspectives, and prospects.

              Machine learning addresses the question of how to build computers that improve automatically through experience. It is one of today's most rapidly growing technical fields, lying at the intersection of computer science and statistics, and at the core of artificial intelligence and data science. Recent progress in machine learning has been driven both by the development of new learning algorithms and theory and by the ongoing explosion in the availability of online data and low-cost computation. The adoption of data-intensive machine-learning methods can be found throughout science, technology and commerce, leading to more evidence-based decision-making across many walks of life, including health care, manufacturing, education, financial modeling, policing, and marketing.
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                Author and article information

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                Journal
                EESNBY
                Energy & Environmental Science
                Energy Environ. Sci.
                Royal Society of Chemistry (RSC)
                1754-5692
                1754-5706
                December 09 2021
                2021
                : 14
                : 12
                : 6122-6157
                Affiliations
                [1 ]Energy and Power Theme, Cranfield University, Bedfordshire, MK43 0AL, UK
                [2 ]Materials, Concept and Reaction Engineering (MatCoRE) Group, School of Engineering, Newcastle University, Merz Court, Newcastle Upon Tyne, NE1 7RU, UK
                [3 ]School of Engineering, Division of Chemical Engineering, University of Wolverhampton, Wolverhampton, WV1 1LY, UK
                [4 ]Department of Chemical and Materials Engineering, Donadeo Innovation Centre for Engineering, University of Alberta, 9211-116 Street NW, Edmonton, Alberta, T6G 1H9, Canada
                [5 ]Department of Chemical and Biomedical Engineering, West Virginia University, Morgantown, WV, 26506, USA
                [6 ]School of Control and Computer Engineering, North China Electric Power University, Beijing, 102206, P. R. China
                [7 ]School of Engineering, University of Kent, Canterbury, Kent, CT2 7NT, UK
                [8 ]Petroleum Recovery Research Centre, New Mexico Tech, Socorro NM, 87801, USA
                [9 ]School of Petroleum and Natural Gas Engineering, Chongqing University of Science and Technology, Chongqing, 401331, China
                [10 ]Department of Chemical and Biological Engineering, University of Sheffield, Sheffield S1 3JD, UK
                Article
                10.1039/D1EE02395K
                c78f36d2-1d6b-46ab-8f66-5e85d2e766ce
                © 2021

                http://creativecommons.org/licenses/by/3.0/

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