Pub Date : 2022-04-04DOI: 10.1146/annurev-chembioeng-092120-091054
M. Gomes, Y. Rondelez, L. Leibler
Synthetic polymers such as plastics exhibit numerous advantageous properties that have made them essential components of our daily lives, with plastic production doubling every 15 years. The relatively low cost of petroleum-based polymers encourages their single use and overconsumption. Synthetic plastics are recalcitrant to biodegradation, and mismanagement of plastic waste leads to their accumulation in the ecosystem, resulting in a disastrous environmental footprint. Enzymes capable of depolymerizing plastics have been reported recently that may provide a starting point for eco-friendly plastic recycling routes. However, some questions remain about the mechanisms by which enzymes can digest insoluble solid substrates. We review the characterization and engineering of plastic-eating enzymes and provide some comparisons with the field of lignocellulosic biomass valorization. Expected final online publication date for the Annual Review of Chemical and Biomolecular Engineering, Volume 13 is October 2022. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.
{"title":"Lessons from Biomass Valorization for Improving Plastic-Recycling Enzymes.","authors":"M. Gomes, Y. Rondelez, L. Leibler","doi":"10.1146/annurev-chembioeng-092120-091054","DOIUrl":"https://doi.org/10.1146/annurev-chembioeng-092120-091054","url":null,"abstract":"Synthetic polymers such as plastics exhibit numerous advantageous properties that have made them essential components of our daily lives, with plastic production doubling every 15 years. The relatively low cost of petroleum-based polymers encourages their single use and overconsumption. Synthetic plastics are recalcitrant to biodegradation, and mismanagement of plastic waste leads to their accumulation in the ecosystem, resulting in a disastrous environmental footprint. Enzymes capable of depolymerizing plastics have been reported recently that may provide a starting point for eco-friendly plastic recycling routes. However, some questions remain about the mechanisms by which enzymes can digest insoluble solid substrates. We review the characterization and engineering of plastic-eating enzymes and provide some comparisons with the field of lignocellulosic biomass valorization. Expected final online publication date for the Annual Review of Chemical and Biomolecular Engineering, Volume 13 is October 2022. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.","PeriodicalId":8234,"journal":{"name":"Annual review of chemical and biomolecular engineering","volume":" ","pages":""},"PeriodicalIF":8.4,"publicationDate":"2022-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44615580","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-04-01DOI: 10.1146/annurev-chembioeng-102121-065047
Xiaowei Wu, R. Krishnamoorti, Praveen Bollini
The direct capture of CO2 from ambient air presents a means of decelerating the growth of global atmospheric CO2 concentrations. Considerations relating to process engineering are the focus of this review and have received significantly less attention than those relating to the design of materials for direct air capture (DAC). We summarize minimum thermodynamic energy requirements, second law efficiencies, major unit operations and associated energy requirements, capital and operating expenses, and potential alternative process designs. We also highlight process designs applied toward more concentrated sources of CO2 that, if extended to lower concentrations, could help move DAC units closer to more economical continuous operation. Addressing shortcomings highlighted here could aid in the design of improved DAC processes that overcome trade-offs between capture performance and DAC cost. Expected final online publication date for the Annual Review of Chemical and Biomolecular Engineering, Volume 13 is October 2022. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.
{"title":"Technological Options for Direct Air Capture: A Comparative Process Engineering Review.","authors":"Xiaowei Wu, R. Krishnamoorti, Praveen Bollini","doi":"10.1146/annurev-chembioeng-102121-065047","DOIUrl":"https://doi.org/10.1146/annurev-chembioeng-102121-065047","url":null,"abstract":"The direct capture of CO2 from ambient air presents a means of decelerating the growth of global atmospheric CO2 concentrations. Considerations relating to process engineering are the focus of this review and have received significantly less attention than those relating to the design of materials for direct air capture (DAC). We summarize minimum thermodynamic energy requirements, second law efficiencies, major unit operations and associated energy requirements, capital and operating expenses, and potential alternative process designs. We also highlight process designs applied toward more concentrated sources of CO2 that, if extended to lower concentrations, could help move DAC units closer to more economical continuous operation. Addressing shortcomings highlighted here could aid in the design of improved DAC processes that overcome trade-offs between capture performance and DAC cost. Expected final online publication date for the Annual Review of Chemical and Biomolecular Engineering, Volume 13 is October 2022. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.","PeriodicalId":8234,"journal":{"name":"Annual review of chemical and biomolecular engineering","volume":" ","pages":""},"PeriodicalIF":8.4,"publicationDate":"2022-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47019602","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-04-01DOI: 10.1146/annurev-chembioeng-092120-022935
Xiaochi Zhou, M. Kraft
This article presents a review of the application of blockchain and blockchain-based smart contracts in the chemical and related industries. We introduce the basic concepts of blockchain and smart contracts and explain how some of their features are enabled. We review several typical or novel applications of blockchain and smart contract technologies and their enabling concepts and underlying technologies. We classify the selected literature into five categories and discuss their motivations and technical designs. We recognize that the trend of decentralization creates a need to use blockchain and smart contracts to implement trust and distributed control mechanisms. We also speculate on future applications of blockchain and smart contracts. We believe that, in the future, blockchains with different consensus mechanisms will be studied and applied to achieve more efficient and practical decentralized systems. Also, blockchain-based smart contracts will be more widely applied to enhance autonomous distributed controls in decentralized systems. Expected final online publication date for the Annual Review of Chemical and Biomolecular Engineering, Volume 13 is October 2022. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.
{"title":"Blockchain Technology in the Chemical Industry.","authors":"Xiaochi Zhou, M. Kraft","doi":"10.1146/annurev-chembioeng-092120-022935","DOIUrl":"https://doi.org/10.1146/annurev-chembioeng-092120-022935","url":null,"abstract":"This article presents a review of the application of blockchain and blockchain-based smart contracts in the chemical and related industries. We introduce the basic concepts of blockchain and smart contracts and explain how some of their features are enabled. We review several typical or novel applications of blockchain and smart contract technologies and their enabling concepts and underlying technologies. We classify the selected literature into five categories and discuss their motivations and technical designs. We recognize that the trend of decentralization creates a need to use blockchain and smart contracts to implement trust and distributed control mechanisms. We also speculate on future applications of blockchain and smart contracts. We believe that, in the future, blockchains with different consensus mechanisms will be studied and applied to achieve more efficient and practical decentralized systems. Also, blockchain-based smart contracts will be more widely applied to enhance autonomous distributed controls in decentralized systems. Expected final online publication date for the Annual Review of Chemical and Biomolecular Engineering, Volume 13 is October 2022. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.","PeriodicalId":8234,"journal":{"name":"Annual review of chemical and biomolecular engineering","volume":" ","pages":""},"PeriodicalIF":8.4,"publicationDate":"2022-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46513967","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-02-18DOI: 10.1146/annurev-chembioeng-092120-023936
R. Custelcean
Large-scale deployment of negative emissions technologies (NETs) that permanently remove CO2 from the atmosphere is now considered essential for limiting the global temperature increase to less than 2°C by the end of this century. One promising NET is direct air capture (DAC), a technology that employs engineered chemical processes to remove atmospheric carbon dioxide, potentially at the scale of billions of metric tons per year. This review highlights one of the two main approaches to DAC based on aqueous solvents. The discussion focuses on different aspects of DAC with solvents, starting with the fundamental chemistry that includes the chemical species and reactions involved and the thermodynamics and kinetics of CO2 binding and release. Chemical engineering aspects are also discussed, including air-liquid contactor design, process development, and techno-economic assessments to estimate the cost of the DAC technologies. Various solvents employed in DAC are reviewed, from aqueous alkaline solutions (NaOH, KOH) to aqueous amines, amino acids, and peptides, along with different solvent regeneration methods, from the traditional thermal swinging to the more exploratory carbonate crystallization with guanidines or electrochemical methods. Expected final online publication date for the Annual Review of Chemical and Biomolecular Engineering, Volume 13 is October 2022. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.
{"title":"Direct Air Capture of CO2 Using Solvents.","authors":"R. Custelcean","doi":"10.1146/annurev-chembioeng-092120-023936","DOIUrl":"https://doi.org/10.1146/annurev-chembioeng-092120-023936","url":null,"abstract":"Large-scale deployment of negative emissions technologies (NETs) that permanently remove CO2 from the atmosphere is now considered essential for limiting the global temperature increase to less than 2°C by the end of this century. One promising NET is direct air capture (DAC), a technology that employs engineered chemical processes to remove atmospheric carbon dioxide, potentially at the scale of billions of metric tons per year. This review highlights one of the two main approaches to DAC based on aqueous solvents. The discussion focuses on different aspects of DAC with solvents, starting with the fundamental chemistry that includes the chemical species and reactions involved and the thermodynamics and kinetics of CO2 binding and release. Chemical engineering aspects are also discussed, including air-liquid contactor design, process development, and techno-economic assessments to estimate the cost of the DAC technologies. Various solvents employed in DAC are reviewed, from aqueous alkaline solutions (NaOH, KOH) to aqueous amines, amino acids, and peptides, along with different solvent regeneration methods, from the traditional thermal swinging to the more exploratory carbonate crystallization with guanidines or electrochemical methods. Expected final online publication date for the Annual Review of Chemical and Biomolecular Engineering, Volume 13 is October 2022. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.","PeriodicalId":8234,"journal":{"name":"Annual review of chemical and biomolecular engineering","volume":" ","pages":""},"PeriodicalIF":8.4,"publicationDate":"2022-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42095573","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-02-17DOI: 10.1146/annurev-chembioeng-092220-125832
Alana C Szkodny, Kelvin H Lee
This review describes key milestones related to the production of biopharmaceuticals-therapies manufactured using recombinant DNA technology. The market for biopharmaceuticals has grown significantly since the first biopharmaceutical approval in 1982, and the scientific maturity of the technologies used in their manufacturing processes has grown concomitantly. Early processes relied on established unit operations, with research focused on process scale-up and improved culture productivity. In the early 2000s, changes in regulatory frameworks and the introduction of Quality by Design emphasized the importance of developing manufacturing processes to deliver a desired product quality profile. As a result, companies adopted platform processes and focused on understanding the dynamic interplay between product quality and processing conditions. The consistent and reproducible manufacturing processes of today's biopharmaceutical industry have set high standards for product efficacy, quality, and safety, and as the industry continues to evolve in the coming decade, intensified processing capabilities for an expanded range of therapeutic modalities will likely become routine. Expected final online publication date for the Annual Review of Chemical and Biomolecular Engineering, Volume 13 is October 2022. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.
{"title":"Biopharmaceutical Manufacturing: Historical Perspectives and Future Directions.","authors":"Alana C Szkodny, Kelvin H Lee","doi":"10.1146/annurev-chembioeng-092220-125832","DOIUrl":"https://doi.org/10.1146/annurev-chembioeng-092220-125832","url":null,"abstract":"This review describes key milestones related to the production of biopharmaceuticals-therapies manufactured using recombinant DNA technology. The market for biopharmaceuticals has grown significantly since the first biopharmaceutical approval in 1982, and the scientific maturity of the technologies used in their manufacturing processes has grown concomitantly. Early processes relied on established unit operations, with research focused on process scale-up and improved culture productivity. In the early 2000s, changes in regulatory frameworks and the introduction of Quality by Design emphasized the importance of developing manufacturing processes to deliver a desired product quality profile. As a result, companies adopted platform processes and focused on understanding the dynamic interplay between product quality and processing conditions. The consistent and reproducible manufacturing processes of today's biopharmaceutical industry have set high standards for product efficacy, quality, and safety, and as the industry continues to evolve in the coming decade, intensified processing capabilities for an expanded range of therapeutic modalities will likely become routine. Expected final online publication date for the Annual Review of Chemical and Biomolecular Engineering, Volume 13 is October 2022. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.","PeriodicalId":8234,"journal":{"name":"Annual review of chemical and biomolecular engineering","volume":" ","pages":""},"PeriodicalIF":8.4,"publicationDate":"2022-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45113999","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-02-17DOI: 10.1146/annurev-chembioeng-092220-111631
V. McNeill
Since late 2019, severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has spread globally, causing a pandemic (coronavirus disease 2019, or COVID-19) with dire consequences, including widespread death, long-term illness, and societal and economic disruption. Although initially uncertain, evidence is now overwhelming that SARS-CoV-2 is transmitted primarily through small respiratory droplets and aerosols emitted by infected individuals. As a result, many effective nonpharmaceutical interventions for slowing virus transmission operate by blocking, filtering, or diluting respiratory aerosol, particularly in indoor environments. In this review, we discuss the evidence for airborne transmission of SARS-CoV-2 and implications for engineering solutions to reduce transmission risk. Expected final online publication date for the Annual Review of Chemical and Biomolecular Engineering, Volume 13 is October 2022. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.
{"title":"Airborne Transmission of SARS-CoV-2: Evidence and Implications for Engineering Controls.","authors":"V. McNeill","doi":"10.1146/annurev-chembioeng-092220-111631","DOIUrl":"https://doi.org/10.1146/annurev-chembioeng-092220-111631","url":null,"abstract":"Since late 2019, severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has spread globally, causing a pandemic (coronavirus disease 2019, or COVID-19) with dire consequences, including widespread death, long-term illness, and societal and economic disruption. Although initially uncertain, evidence is now overwhelming that SARS-CoV-2 is transmitted primarily through small respiratory droplets and aerosols emitted by infected individuals. As a result, many effective nonpharmaceutical interventions for slowing virus transmission operate by blocking, filtering, or diluting respiratory aerosol, particularly in indoor environments. In this review, we discuss the evidence for airborne transmission of SARS-CoV-2 and implications for engineering solutions to reduce transmission risk. Expected final online publication date for the Annual Review of Chemical and Biomolecular Engineering, Volume 13 is October 2022. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.","PeriodicalId":8234,"journal":{"name":"Annual review of chemical and biomolecular engineering","volume":" ","pages":""},"PeriodicalIF":8.4,"publicationDate":"2022-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41907472","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-02-17DOI: 10.1146/annurev-chembioeng-092220-123822
C. Eder, H. Briesen
Interferometry is a highly versatile tool for probing physical and chemical phenomena. In addition to the benefit of noncontact investigations, even spatially resolved information can be obtained by choosing a suitable setup. This review presents the evolution of the various setups that have evolved since the first interferometers were developed in the mid-nineteenth century and highlights the benefits, limitations, and typical areas of application. This review focuses on interferometry based on electromagnetic waves in the near-infrared and visible range applied to liquid samples, categorizes the chemical/physical properties (e.g., pressure, temperature, composition) and phenomena (e.g., evaporation, crystal growth, diffusion, thermophoresis) that can be assessed, and presents a comprehensive literature review of specific existing applications. Finally, it discusses some fundamental open questions with respect to geometric considerations and overlapping effects. Expected final online publication date for the Annual Review of Chemical and Biomolecular Engineering, Volume 13 is October 2022. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.
{"title":"Interferometric Probing of Physical and Chemical Properties of Solutions: Noncontact Investigation of Liquids.","authors":"C. Eder, H. Briesen","doi":"10.1146/annurev-chembioeng-092220-123822","DOIUrl":"https://doi.org/10.1146/annurev-chembioeng-092220-123822","url":null,"abstract":"Interferometry is a highly versatile tool for probing physical and chemical phenomena. In addition to the benefit of noncontact investigations, even spatially resolved information can be obtained by choosing a suitable setup. This review presents the evolution of the various setups that have evolved since the first interferometers were developed in the mid-nineteenth century and highlights the benefits, limitations, and typical areas of application. This review focuses on interferometry based on electromagnetic waves in the near-infrared and visible range applied to liquid samples, categorizes the chemical/physical properties (e.g., pressure, temperature, composition) and phenomena (e.g., evaporation, crystal growth, diffusion, thermophoresis) that can be assessed, and presents a comprehensive literature review of specific existing applications. Finally, it discusses some fundamental open questions with respect to geometric considerations and overlapping effects. Expected final online publication date for the Annual Review of Chemical and Biomolecular Engineering, Volume 13 is October 2022. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.","PeriodicalId":8234,"journal":{"name":"Annual review of chemical and biomolecular engineering","volume":" ","pages":""},"PeriodicalIF":8.4,"publicationDate":"2022-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43979139","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-02-08DOI: 10.1146/annurev-chembioeng-092120-024449
Amanda A. Volk, Zachary S. Campbell, Malek Y. S. Ibrahim, Jeffrey A. Bennett, M. Abolhasani
Microfluidic devices and systems have entered many areas of chemical engineering, and the rate of their adoption is only increasing. As we approach and adapt to the critical global challenges we face in the near future, it is important to consider the capabilities of flow chemistry and its applications in next-generation technologies for sustainability, energy production, and tailor-made specialty chemicals. We present the introduction of microfluidics into the fundamental unit operations of chemical engineering. We discuss the traits and advantages of microfluidic approaches to different reactive systems, both well-established and emerging, with a focus on the integration of modular microfluidic devices into high-efficiency experimental platforms for accelerated process optimization and intensified continuous manufacturing. Finally, we discuss the current state and new horizons in self-driven experimentation in flow chemistry for both intelligent exploration through the chemical universe and distributed manufacturing. Expected final online publication date for the Annual Review of Chemical and Biomolecular Engineering, Volume 13 is October 2022. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.
{"title":"Flow Chemistry: A Sustainable Voyage Through the Chemical Universe en Route to Smart Manufacturing.","authors":"Amanda A. Volk, Zachary S. Campbell, Malek Y. S. Ibrahim, Jeffrey A. Bennett, M. Abolhasani","doi":"10.1146/annurev-chembioeng-092120-024449","DOIUrl":"https://doi.org/10.1146/annurev-chembioeng-092120-024449","url":null,"abstract":"Microfluidic devices and systems have entered many areas of chemical engineering, and the rate of their adoption is only increasing. As we approach and adapt to the critical global challenges we face in the near future, it is important to consider the capabilities of flow chemistry and its applications in next-generation technologies for sustainability, energy production, and tailor-made specialty chemicals. We present the introduction of microfluidics into the fundamental unit operations of chemical engineering. We discuss the traits and advantages of microfluidic approaches to different reactive systems, both well-established and emerging, with a focus on the integration of modular microfluidic devices into high-efficiency experimental platforms for accelerated process optimization and intensified continuous manufacturing. Finally, we discuss the current state and new horizons in self-driven experimentation in flow chemistry for both intelligent exploration through the chemical universe and distributed manufacturing. Expected final online publication date for the Annual Review of Chemical and Biomolecular Engineering, Volume 13 is October 2022. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.","PeriodicalId":8234,"journal":{"name":"Annual review of chemical and biomolecular engineering","volume":" ","pages":""},"PeriodicalIF":8.4,"publicationDate":"2022-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42616447","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-02-02DOI: 10.1146/annurev-chembioeng-092120-020803
Andrew L. Ferguson, Keith A. Brown
This article reviews recent developments in the applications of machine learning, data-driven modeling, transfer learning, and autonomous experimentation for the discovery, design, and optimization of soft and biological materials. The design and engineering of molecules and molecular systems have long been a preoccupation of chemical and biomolecular engineers using a variety of computational and experimental techniques. Increasingly, researchers have looked to emerging and established tools in artificial intelligence and machine learning to integrate with established approaches in chemical science to realize powerful, efficient, and in some cases autonomous platforms for molecular discovery, materials engineering, and process optimization. This review summarizes the basic principles underpinning these techniques and highlights recent successful example applications in autonomous materials discovery, transfer learning, and multi-fidelity active learning. Expected final online publication date for the Annual Review of Chemical and Biomolecular Engineering, Volume 13 is October 2022. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.
{"title":"Data-Driven Design and Autonomous Experimentation in Soft and Biological Materials Engineering.","authors":"Andrew L. Ferguson, Keith A. Brown","doi":"10.1146/annurev-chembioeng-092120-020803","DOIUrl":"https://doi.org/10.1146/annurev-chembioeng-092120-020803","url":null,"abstract":"This article reviews recent developments in the applications of machine learning, data-driven modeling, transfer learning, and autonomous experimentation for the discovery, design, and optimization of soft and biological materials. The design and engineering of molecules and molecular systems have long been a preoccupation of chemical and biomolecular engineers using a variety of computational and experimental techniques. Increasingly, researchers have looked to emerging and established tools in artificial intelligence and machine learning to integrate with established approaches in chemical science to realize powerful, efficient, and in some cases autonomous platforms for molecular discovery, materials engineering, and process optimization. This review summarizes the basic principles underpinning these techniques and highlights recent successful example applications in autonomous materials discovery, transfer learning, and multi-fidelity active learning. Expected final online publication date for the Annual Review of Chemical and Biomolecular Engineering, Volume 13 is October 2022. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.","PeriodicalId":8234,"journal":{"name":"Annual review of chemical and biomolecular engineering","volume":" ","pages":""},"PeriodicalIF":8.4,"publicationDate":"2022-02-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42969166","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-01-26DOI: 10.1146/annurev-chembioeng-092220-024340
Sanket Kadulkar, Z. Sherman, V. Ganesan, Thomas M Truskett
Designing functional materials requires a deep search through multidimensional spaces for system parameters that yield desirable material properties. For cases where conventional parameter sweeps or trial-and-error sampling are impractical, inverse methods that frame design as a constrained optimization problem present an attractive alternative. However, even efficient algorithms require time- and resource-intensive characterization of material properties many times during optimization, imposing a design bottleneck. Approaches that incorporate machine learning can help address this limitation and accelerate the discovery of materials with targeted properties. In this article, we review how to leverage machine learning to reduce dimensionality in order to effectively explore design space, accelerate property evaluation, and generate unconventional material structures with optimal properties. We also discuss promising future directions, including integration of machine learning into multiple stages of a design algorithm and interpretation of machine learning models to understand how design parameters relate to material properties. Expected final online publication date for the Annual Review of Chemical and Biomolecular Engineering, Volume 13 is October 2022. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.
{"title":"Machine Learning-Assisted Design of Material Properties.","authors":"Sanket Kadulkar, Z. Sherman, V. Ganesan, Thomas M Truskett","doi":"10.1146/annurev-chembioeng-092220-024340","DOIUrl":"https://doi.org/10.1146/annurev-chembioeng-092220-024340","url":null,"abstract":"Designing functional materials requires a deep search through multidimensional spaces for system parameters that yield desirable material properties. For cases where conventional parameter sweeps or trial-and-error sampling are impractical, inverse methods that frame design as a constrained optimization problem present an attractive alternative. However, even efficient algorithms require time- and resource-intensive characterization of material properties many times during optimization, imposing a design bottleneck. Approaches that incorporate machine learning can help address this limitation and accelerate the discovery of materials with targeted properties. In this article, we review how to leverage machine learning to reduce dimensionality in order to effectively explore design space, accelerate property evaluation, and generate unconventional material structures with optimal properties. We also discuss promising future directions, including integration of machine learning into multiple stages of a design algorithm and interpretation of machine learning models to understand how design parameters relate to material properties. Expected final online publication date for the Annual Review of Chemical and Biomolecular Engineering, Volume 13 is October 2022. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.","PeriodicalId":8234,"journal":{"name":"Annual review of chemical and biomolecular engineering","volume":"1 1","pages":""},"PeriodicalIF":8.4,"publicationDate":"2022-01-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41869204","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
京公网安备 11010802042870号
京ICP备2023020795号-1
扫码关注我们
求助内容：
应助结果提醒方式：