TECHNICAL PROGRAM SYMPOSIA
2024 GC&E SYMPOSIA
AI-Enabled Green Chemistry
Computational chemistry and machine learning are critical to facilitating the discovery of performance chemicals and materials with low hazard, persistence, and potential circularity. The latter requires the prediction of functional properties, hazards, environmental fate, transport, and degradation potential. This Symposium will highlight new approaches to predictive models for function, toxicity, and biodegradability using machine learning and other computational methods.
The session will bring together chemists, engineers, toxicologists, and chemoinformatics scientists to discuss existing and potential future approaches to property prediction that enable rational chemical design.
Dr. Adelina Voutchkova, American Chemical Society Green Chemistry Institute
Prof. Alexei Lapkin, University of Cambridge
AI is a powerful technology that is impacting all aspects of personal and professional lives. In its best form, it optimizes our experiences, acting quickly with recommendations based on data; Usually two competing ideas, with time and resources a casualty of the multitude of experiments run to maximize the confidence in outcome. The marriage of these ideals through AI within green chemistry could accelerate the progress of sustainability through advanced green chemistry practices. However, AI in and of itself is just a machine simulating human cognition. AI is reliant on data sets and inputs and technological or information solutions for practical applications. The focus of this symposium will be to address the common questions about AI in Green Chemistry, through the lens of those key contributing factors.
In the session, speakers will present case studies of best-demonstrated practices within their organizations, and then engage in a moderated panel discussion, where the panelists will share their thoughts on the future of Green Chemistry with the connective thread of the integration of AI and related technologies. In addition to commentary on engineering and research processes and supporting solutions, panelists will speak to the impact that changing behaviors and psychologies will have on the industry and what “success” will look like in the next generation. Carbon footprint targets are increasingly included in Corporate and Government mandates, publicly raising accountability and commitment to green initiatives.
Some topics may include:
• How has AI addressed “old” challenges in scientific research?
• What are some successful adoptions or applications of AI into processes?
• What are the limitations of AI today?
• What opportunities in chemistry and engineering are ripe for AI integration? What are the benefits?
• How will education and training change with the increasing competence and integration of AI into workflows?
• What is the responsibility of providers of AI-enhanced solutions?
• How is the economic interest of Green Chemistry, Sustainability, and AI evolving?
Kyle Cushman, CAS
Molly Strausbaugh, CAS
Neural networks (NNs) have become one of the most popular and relevant areas of research in machine learning (ML), particularly within the field of Analytical Chemistry. Routine analyses generate considerable amounts of data from chromatographic, spectroscopic, and imaging-based technologies. The focus on Artificial Neural Networks (ANN) and Graphical Neural Networks (GNN) in Analytical Chemistry is sharpening as more complex data sets are generated covering the ever-expanding range of pharmaceutical modalities.
Applications of ML improve efficiency across the pharmaceutical development lifecycle by incorporating all available data, both acquired and modeled, to determine critical quality attributes, thus significantly reducing the experimental burden typically required. This approach delivers a significant sustainability impact across each process and modality, from small molecules to biologics and cellular therapies; why do the experiment if you can accurately, precisely, and confidently model and simulate outcomes using vast historical datasets.
Dr. Mark Zell, Takeda
Dr. John Wasylyk, BMS
This session aims to showcase the challenges of executing effective sustainable design into industrial settings. There is a strong pull from consumers and governments to use sustainable materials and processes in modern manufacturing. However, there are many challenges in bringing sustainable solutions to market including supply chain robustness, performance, durability, and prohibitive cost. Because there are so many challenges and prospects, there are opportunities to leverage analytics, artificial intelligence (AI) and machine learning (ML), to help launch these sustainable solutions. Examples of implementing efficient and sustainable material sourcing and manufacturing in this session could demonstrate new material incorporation, cost-benefit analysis, and use of analytics and AI/ML for the implementation of these changes. Insights into opportunities and challenges of such undertakings will be valuable for researchers from all disciplines. Examples describing research efforts and collaboration across industry, government, and academic sectors to enable commercial success and execution are invited.
- Practice gaps to be highlighted and addressed in this symposium:
Industrial relevance– The challenge of sustainable product design will not be successful without taking proof-of-concept research from the laboratory to the industrial scale. This symposium will highlight successes and challenges of bringing sustainability into industry, especially changes utilizing AI/ML.
- Use of AI and ML – For successful commercialization of sustainable products, each step from prototype design to manufacturing takes significant time and resources. This symposium will highlight successful examples of leveraging the AI and ML to minimize the product development cycles. The examples around the digital, smart factory to facilitate innovation and product optimization will be highlighted.
- Commercialization challenge – A sustainable product launch is only successful if customers want to use it. This symposium will also look to highlight marketing, consumer awareness/reception, regulatory compliance, material availability, cost, competition of traditional petroleum-based materials, and process changes needed to adopt new materials in plant/manufacturing settings.
- Manufacturing challenge – Industrially relevant sustainability can only be realized if the product can be manufactured at scale. To come to market, sustainable products will have to fit into existing supply chain infrastructure and manufacturing capabilities to minimize capital expense. This symposium will highlight successful examples of such new product development while utilizing existing processes.
Dr. Chad Landis, PPG
Dr. Melissa MacDonald, PPG
Dr. Kristin Nuzzio,PPG
Dr. Se Ryeon Lee, PPG
Biocatalysis has emerged as an exciting technology for green chemistry and sustainable synthesis with applications ranging from the pharmaceutical industry to the agrochemical industry to the chemical industry. Capable of exerting unparalleled chemo-, regio-, and stereoselectivity over otherwise challenging chemical reactions, biocatalysts are widely recognized as powerful tools to access valuable compounds. Over the past few years, machine learning-guided enzyme engineering has emerged as a powerful tool to transform the current perception and practice of biocatalysis and biotransformations. This symposium will highlight the current frontiers in machine learning-guided biocatalyst development. It will introduce new strategies based on artificial intelligence and machine learning to accelerate the discovery, engineering, and understanding of biocatalysts. Furthermore, it will also discuss the use of AI in the optimization of green chemistry processes with biocatalysts.
Prof. Yang Yang, University of California Santa Barbara
Prof. Yunan Luo, Georgia Institute of Technology
This symposium encompasses the field of sustainable catalyst design, with a particular emphasis on the areas of biofuels, photocatalysts, and renewable plastics. In alignment with the overarching theme of the GC&E conference, “AI Enabled Green Chemistry,” preference will be accorded to presentations that center on the application of artificial intelligence/machine learning (AI/ML) to enhance data collection quality and throughput in the subsequent domains: chemistry and catalysis design for renewable plastics, photoredox catalysis, and biofuel production processes. These presentations should be directed towards the manipulation of molecular structures with specific chemical and physical attributes, the exploration of property-molecular structure relationships, the elucidation of kinetics and mechanisms, as well as any other facets of chemistry that hold relevance to the environmental impact of sustainable catalyst design.
Prof. Seonah Kim, Colorado State University
Prof. Steven Lopez, Northeastern University
Prof. Robert Paton, Colorado State University
Finding the best sequence of reactions in a synthetic route sequence or the most promising catalyst in a wide array of organic transformations, are key endeavors exemplifying green chemistry principles. This session will focus on in silico techniques that look to deliver synthetic efficiency, atom economy, and minimize waste production. Artificial intelligence (AI), machine learning (ML), and predictive analytics (PA) that contain powerful algorithms to reduce or eliminate chemical reactions from first principles will comprise the majority of the session, as well as what is needed to get started on this important and growing topic in the chemical sciences.
Dr. Jared Piper, Pfizer
Dr. Jason Stevens, Bristol Myers Squibb
Dr. Colin Lam, Merck
The theme of the 2024 GC&E, “AI-Enabled Green Chemistry”, signifies the importance of new technology and continual innovation as we plan for a more sustainable future across the chemistry enterprise. While researchers and engineers (in both industry and academia) recognize the value of systems thinking-based innovation, teaching tools (e.g., curricula, conceptual scaffolds, learning modalities, assessments) for educators have been slow to evolve over the last half-century or more. While some of this pedagogical inertia can be attributed to the sheer scope of work with which many educators are faced, it must be acknowledged that success in teaching and mentoring relies heavily on essential human traits: curiosity, attitude, appetite for change, independence, etc. Institutional guidance and restrictions also play significant roles in shaping the future of chemistry in the classroom. With all these variables in play, how do take decisive steps toward reimagining education in chemistry and chemical engineering across the spectrum of higher education?
One way to accelerate changes in the ways we teach our students is by encouraging connections between chemistry and chemical engineering instructors across the landscape of higher education: making it possible for educators to share their innovative approaches, best practices, curricular modifications, etc. To support these connections, this symposium will feature talks and discussions relevant to the process of training students in green chemistry, green engineering, systems thinking, life cycle analysis, safety, and concepts relevant to broader sustainability goals through methods such as guided inquiry, comparative analysis, research-based methods, case studies, laboratory protocols, and similar. We invite a diverse spectrum of practitioners and viewpoints to share what they have done to invest in a sustainable future by training our students to think about how they play an important role as future scientists.
Dr. David Laviska, American Chemical Society Green Chemistry Institute
Dr. Barbora Morra, University of Toronto
Prof. Glenn Hurst, University of York
Dr. Michael Wentzel, Augsburg University
Prof. Jane Wissinger, University of Minnesota
This symposium will engage undergraduate chemistry educators on the growing need to adopt green chemistry through the undergraduate curriculum, through the lens of environmental justice. The United States Environmental Protection Agency defines Environmental Justice as the fair treatment and meaningful involvement of all people regardless of race, color, national origin, or income, with respect to the development, implementation, and enforcement of environmental laws, regulations, and policies . . .achieved when everyone enjoys: (1) The same degree of protection from environmental and health hazards, and (2) Equal access to the decision-making process to have a healthy environment in which to live, learn, and work.
This symposium will explore the value of connecting green chemistry education to environmental justice community issues and will engage speakers and participants that will include green chemistry educators and environmental justice community group leaders from Georgia. With the 2024 GC&E being held in Atlanta, we have a unique opportunity to hear from regional educators in the southeastern U.S., especially those at Historically Black Colleges and Universities (HBCUs), who may be collaborating with vulnerable communities.
Broad contributions, ideas, and proposals connecting green chemistry and environmental justice education are welcome, including lecture and laboratory examples for majors and non-majors; green chemistry education and undergraduate research that involve civic learning with environmental justice community groups and organizations; preparing students for careers at the intersection of green chemistry and environmental justice; health and safety education in the laboratory and in environmental justice communities; and connections to the UN Sustainable development Goals and climate justice. Contributions relating to the conference theme of AI-enabled green chemistry are particularly welcome and may include the use of AI in chemistry education and research for community-based environmental justice work. Environmental justice is critical to green chemistry education and appealing to a broad population of undergraduate students because it provides a real-world framework to solve global environmental and human health impacts that continue to disproportionately burden communities of color, and vulnerable, and low-income populations.
Prof. Edward Brush, Bridgewater State University
Dr. Laurel Royer, Carinalis Consulting and Research
Dr. Sederra Ross, American Chemical Society Green Chemistry Institute
Green Energy & Fuels
The carbon capture and utilization (CCU) strategy has been developed as an alternative approach to addressing the energy penalty problem in carbon capture and storage/sequestration (CCS). The essence is to use captured CO2, also considered as the activated form of CO2, which could render this system suitable for accomplishing the chemical transformation of CO2 under low pressure to avoid an additional desorption step. CO2 could be activated through the formation of carbamate/carbonate/carboxylate with the basic nitrogen/oxygen/carbon species.
This symposium will create a dialog about the new frontiers and advanced development in carbon capture and utilization, from fundamental research to industrial applications. Liquid sorbents such as aqueous amine-derived systems, alkaline hydroxide/carbonate-involved solutions, ionic liquids, and porous liquids have been developed towards efficient carbon capture particularly from diluted resources via chemisorption procedures. Solid sorbents including amine-modified porous sorbents, aminoguanidine-derived systems, ionic liquid-functionalized materials, alkaline species-doped zeolites, and so on have demonstrated promising performance in DAC procedure in terms of uptake capacity and long-term cycling stability. Diverse homogeneous and heterogeneous catalytic systems have been developed towards efficient CO2 utilization via thermo-/photo-/electro-promoted pathways, leading to the production of acid/aldehyde/alcohol/alkene/alkane derivatives as well as coupling products and polymers in the presence of other co-substrates. However, knowledge gaps between carbon capture (separation) and utilization (catalysis), theoretic and experimental aspects as well as fundamental research and industrial applications are still existing targeting for further market development of CCU. Some of the areas to be discussed include:
- Examples of how structure engineering of sorbents could be leveraged to integrate activate sites for DAC of CO2 and catalytic sites for the subsequent utilization.
- Opportunities to harness CO2 utilization pathways under mild conditions, i.e., ambient temperature and pressure, to achieve CCU.
- How to leverage alternative CO2 desorption approaches, i.e., driven by electricity/photo-irradiation/ultrasonication/mechanochemistry, to integrate DAC and CO2 conversion.
- Dig out the gap between fundamental CCU and the industrial application and potential solutions.
- Sophisticated operando techniques to monitor the structure evolution of the sorbent/catalyst systems upon CCU.
- How deep learning and AI could help screen the best coupling of sorbent systems towards specific catalytic pathways.
Dr. ZhenZhen Yang, Oak Ridge National Laboratory
Dr. Kai Li, Oak Ridge National Laboratory
Prof. Konstantinos D. Vogiatzis, University of Tennessee Knoxville
Green Chemistry Practices in Industry and Academia
Green chemistry and engineering (GC&E) and alternative assessment are both important for advancing sustainable chemicals, materials, products, and processes but there are similarities and differences in their approaches. Think of chemists and designers as athletes learning to swing a club, hit a ball, etc. as guided by the principles of green chemistry and engineering. AA complements the practice of green chemistry by establishing the rules of the game, the objectives, and various strategies to optimize different attributes in response to design parameters. Because trade-offs typically must be made when applying the GC&E principles, green chemistry does not always result in safer chemistry. It is important to have a framework for evaluating alternatives to ensure that they result in more sustainable impacts and do not lead to regrettable substitutions.
This session explores the nexus between green chemistry and alternative assessment. Starting with a primer on alternatives assessment, the subsequent sessions will explore tools and resources associated with both to support advances in the design and adoption of safer and more sustainable chemicals, processes, and products. This will be followed by a panel discussion Presentations will showcase perspectives on why and how AA is used, and case examples across sectors (e.g., government, industry, academia, and non-governmental organizations) demonstrating where there is alignment and where there are gaps or there is misalignment to further support innovative solutions to problematic chemistries for specific functional uses. Issues to be addressed include criteria and metrics used for product design, commercialization/adoption phases, training needs for students who wish to use their chemistry skills for more sustainable consumer products, emerging environmental justice considerations; the role of cross-sector collaborations; the role of regulations and rational design opportunities and resources.
Catherine Rudisill, Safer Chemistry Advisory LLC
Jenny Mackellar, Change Chemistry
Dr. Colleen McLoughlin, Enhesa
Dr. Steve Bennett, Household & Commercial Products Association
This symposium will focus on Green and Sustainable Chemistry research through the collaboration between Japan and the US and introduce innovative research in Japan both from academia and industries.
Prof. Kei Saito, Kyoto University
Prof. Masahiko Matsuka, Waseda University
Dr. Masaki Kataoka, Japan Association for Chemical Innovation
Every country has unique infrastructures, industries, resources, and structures, as well as distinct education and teaching patterns, mindsets, and attitudes. To fulfill the UN sustainable development goals (UN-SDGs), it is important that nations across the world join their efforts and share knowledge, technologies, and resources while benefiting from their unique characteristics in the best ways possible. Green chemistry is integral for the accomplishment of many of the 17 UN-SDGs, and awareness about green chemistry as a synergistic tool for global sustainable development is paramount. Many international conventions are based on the idea of reducing the use of toxic or environmentally problematic chemicals worldwide, including Persistent Organic Pollutants-POPs (Stockholm Convention), Mercury (Minamata Convention), Hazardous Waste (Basel Convention), or Ozone-depleting Substances (Montreal Protocol).
This international symposium is tailored for:
a) “Champions of Green Chemistry” from all over the world and their commitments towards expanding Green Chemistry awareness, knowledge, and implementation in the respective countries or regions. Participants are invited to share success stories, sources of inspiration, unique scientific journeys, extraordinary partnerships, as well as challenges encountered along the way. The real-world impact generated through policy changes, curriculum transformations, stakeholder engagement, business creation, or other lessons learned from industry/academia/students is particularly welcome in the context of this symposium.
b) “Innovative approaches from Green Chemistry & Green Engineering” that focus on globally relevant problems caused by hazardous chemicals. Researchers and entrepreneurs with disruptive sustainable ideas, and representatives from the public and private sector with relevant experiences in related sectors are strongly encouraged to submit applications. Since the symposium has a strong global vision, participants from typically underrepresented countries will be especially welcome to contribute.
Dr. Paul Anastas, Yale University
Dr. Lars Rajten, Yale University
Nitesh Mehta, Green ChemisTree Foundation,
Dr. Hanno Erythropel, Yale University
The Green Chemistry Challenge Awards are now in their 28th year and continue to recognize leading green chemistry innovations. With over 1800 nominations and 139 award winners, there is a compelling case to be made that innovations benefitting from the application of green chemistry and engineering have achieved sufficient commercial success to justify implementation in all chemical processing sectors. The goals of the panel are to describe the prestigious EPA Green Chemistry Challenge Awards – co-sponsored by ACS and showcase award winners from the current and past years. The winners will describe the innovative technology they were recognized for, share lessons learned from participation, and describe the benefits of being recognized by the Green Chemistry Challenge Awards Program
Chen Wen, US Environmental Protection Agency
This will be the second annual event organized to celebrate students who win one of the prestigious ACS GCI Green Chemistry Awards: Heh-Won Chang, Ph.D. Fellowship in Green Chemistry Kenneth G. Hancock Memorial Award Ciba Travel Awards in Green Chemistry Joseph Breen Memorial Fellowship Nina McClelland Memorial Award While it is anticipated that some of the award winners (typically 12-15 per year) will present posters, those giving talks will be featured in this symposium. Awards will be given during a separate ceremony at the conference. This symposium will be reserved for presentations of student research.
Dr. David Laviska, American Chemical Society Green Chemistry Institute
Christiana Briddell, American Chemical Society Green Chemistry Institute
While there has been advancement in bio-based and sustainable monomer/polymer design, there is a critical need to accelerate structure-property relationships of such materials to enable widespread, industrial adoption, which AI can help overcome. There has been a tremendous amount of research and development directed towards using many different types of biomasses to replace petroleum-based polymers and design polymers with intrinsic circularity. Presentations will address various challenges in this field by:
(1) predicting properties of bio-based and sustainable polymers via AI- and machine learning-based algorithms,
(2) using fundamental structure-property-processing relationships of the chemicals, monomers, and resins utilized to aid AI models, and
(3) integration of AI with the principles of green chemistry and engineering towards bio-based and sustainable polymer production.
Presenters will participate in a panel to share their perspectives on the growth, challenges, and potential of the field at the conclusion of the session. The symposium will cover; -Machine-learning and AI-guided monomer and polymer discovery -Bio-based polymer synthesis and structure-property relationships -Integration of AI and life cycle assessment/techno-economic analysis of bio-based and sustainable polymers -Polymers designed with intrinsic circularity with the help of AI models AI algorithms can accelerate discovery, overcome challenges associated with sustainable polymers development. By simulating chemical reactions and optimizing molecular structures, AI can identify bio-based molecules with desirable thermal or mechanical characteristics and lower environmental impacts. Experts from academia, research institutions, and industry will present cutting-edge research on AI’s role in predicting properties, optimizing processes, and accelerating bio-based polymer development.
Jingesh Mahajan, University of Delaware
Dr. Alex Balzer, University of Delaware
In recent years, the global community has witnessed a paradigm shift towards sustainable practices, with a particular focus on mitigating environmental impacts. One pivotal area of concern is the production and utilization of polymers, essential components in countless industries. Traditional petroleum-based polymers not only contribute significantly to carbon emissions but also perpetuate the depletion of finite fossil fuel resources. In response to these challenges, the emergence of bio-based polymers has garnered substantial attention as a promising avenue for creating environmentally friendly alternatives. This symposium aims to explore the diverse facets of bio-based polymers, unraveling their potential to revolutionize industries and foster a greener and more sustainable future.
The “Bio-Based Polymers” symposium will serve as a platform for interdisciplinary discussions, fostering collaboration between researchers, industry professionals, and policymakers. By addressing key aspects of bio-based polymer product development, characterization, applications, environmental impact, and market trends, the symposium aims to catalyze the transition toward a more sustainable and eco-conscious future. Participants will leave with a comprehensive understanding of the immense potential bio-based polymers hold in reshaping the polymer landscape and contributing to a greener, more sustainable world.
Roger Dingcong Jr., Mindanao State University-Iligan Institute of Technology
Dr. Arnold Lubguban, Mindanao State University-Iligan Institute of Technology
The ACS Green Chemistry Institute, in partnership with industry leaders Colgate-Palmolive and Dow, recently launched the Natural Polymers Consortium (NPC) to explore the utilization of natural polymers to catalyze greener chemistries. Our proposed symposium builds on the momentum of our recent engagements with companies working in this area, as well as academics and NGOs interested in developing relevant chemistries. The scope of the work includes but is not limited to applications in paper packaging and its barrier coatings, dissolvable natural polymer packaging forms, carbon-negative materials, material bio-engineering technologies to produce natural polymers, e.g., PHAs, synthetic biology, and natural/enzymatic degradation of polymers.
Dr. Edmond Lam, American Chemical Society Green Chemistry Institute
Isamir Martinez, American Chemical Society Green Chemistry Institute
Sustainable Process Design
Based on the overwhelming responses for Process Design over the last several years, we continue to bring the current and forefront research findings to our session. This session will highlight AI-focused processes that are inspired by novel design strategies leading to the successful application of technologies to enable a circular-sustainable economy. Case studies will be presented to illustrate how AI plays a key role in industry/academia/NGO that have successfully implemented the novel design in chemistries, synthetic pathways, and processes. This would enable a circular, more sustainable economy and share the strategies that ultimately worked out for its end use to achieve its targeted goals. The examples from the session will describe the process design utilizing AI and approaches taken, the challenges faced, and how a solution for the challenge was achieved. Also, this session will discuss the importance of implementing sustainability as a basic process design criterion with AI to successfully achieve a closed-loop economy.
Dr. Ettigounder (Samy) Ponnusamy, MilliporeSigma
Dr. Srinivasan Ambatipati, McNeese State University
Both, the Green Chemistry principles as well as the Safe and Sustainable by Design (SSbD) framework consider biodegradability as a crucial property of chemicals and promote design for degradation to reduce their environmental impact. The development of active ingredients for application in human and animal health as well as crop protection already comprises the investigation of multiple environmental safety parameters including persistence. However, existing methods to assess environmental biodegradability are often time-consuming, costly, and focus on a single development candidate. In addition, their limited throughput renders them impractical for use in the drug discovery (i.e., research) process to inform API design and optimization towards better degradability. In this symposium, we plan to educate the audience on the path APIs take after their useful life has run its course and on ways to measure or predict potential persistence: from the basics of waste-water treatment plants to the current understanding of microbial and environmental degradation of APIs while also introducing the current state of predictive technology and relatively high-throughput assays to measure degradation.
Dr. Tobias Harschneck, Boehringer-ingelheim
Dr. Tony Reed, Amgen
The development of sustainable manufacturing processes for both agrochemicals and pharmaceuticals can be accelerated through the holistic application of Green Chemistry Principles. This symposium will focus on highlighting successful applications of green chemistry in both industries that lead to safer and more efficient chemical and biochemical processes and ultimately reduce the environmental impact of operations. This session will include presentations on improved processes that advance sustainability objectives through raw material reduction, waste reduction, and improved throughput. Sharing success stories and best practices will further encourage the continued adoption and integration of green chemistry and engineering throughout the broader chemical industry.
Dr. Nicolas Babij, Corteva
Process safety is perhaps underappreciated as an area of green chemistry. It does feature as one of Anastas and Warner’s 12 Principles, as ‘inherently benign chemistry for accident prevention’, and is a good fit given the risk a chemical accident has of negatively impacting both the local environment and surrounding communities. In their broadest sense, digital tools including modelling, machine learning, and artificial intelligence are increasingly being used to enable the design of processes that are inherently safe, and thus sustainable. This session will cover tools that derisk events relating to thermal instability, pressure buildup, the ignition of flammable materials, and equipment corrosion. It will consist of a series of talks, about half of which will feature invited speakers, as well as a Roundtable discussion specifically around the opportunity for AI to support process safety going forward. We will prioritize the representation of a wide range of industries, and other representatives of the Chemical Enterprise when finalizing the speaker lineup and aim to create a platform for contributors from all stages of their career.
Dr. Alan Steven, CatSci
Separation processes can account for as much as 80% of the total manufacturing costs. Membrane technology offers an energy-efficient separation alternative to conventional thermal processes. Environmental awareness is driving membrane development towards more sustainable approaches. The recent development of membrane materials facilitated the advancement of process intensification exploiting membranes. The symposium aims to explore the role of machine learning in developing new membrane materials and processes for energy-efficient and more sustainable separations.
Machine learning holds immense promise in advancing the efficiency of membrane materials and processes. By harnessing the power of data-driven insights and predictive modeling, machine learning can optimize various aspects of membrane-based separations. It can help in the design and selection of membranes with specific properties, enhancing selectivity and permeability in both aqueous and organic media. Machine learning algorithms can also optimize operating parameters such as pressure, temperature, and flow rates, leading to improved separation efficiency and reduced energy consumption. Moreover, by analyzing historical process data, machine learning can identify patterns and anomalies, enabling proactive maintenance and extending the lifespan of membrane systems. Machine learning can significantly enhance the sustainability of separation processes by aligning with the 12 principles of green chemistry and engineering. Overall, machine learning empowers the field of membrane science and technology to innovate, fine-tune, and adapt processes to achieve higher efficiency and cost-effectiveness, while addressing complex separations challenges, while contributing to the United Nations’ Sustainable Development Goals.
Applications of machine learning for improving membrane material discovery, process optimization, early detection of fouling and defects, water scarcity solutions, energy-efficiency, ion separations, environmental remediation will be discussed during the symposium. Abstract submissions are expected in all areas covering the synergistic combination of data science and machine learning with membrane materials and processes.
The proposed symposium will gather talks on the latest achievements in the fields of sustainable membrane systems enabled through the data science and application of machine learning. Thus, the symposium will have talks from experts working in the field of membranes and beyond. One of the objectives of the symposium is to trigger cross-disciplinary discussions involving green chemistry and engineering experts, not necessarily working in the field of membranes or machine learning. A white paper, disseminating the results of the discussions, will be proposed. We invite speakers from data science and applied machine learning, chemical industry professionals, and academic researchers to debate the not-too-distant future of sustainable separations using membranes. The suggested program is displayed in Table 1. The symposium host will introduce the topic, which will be followed by the oral presentations by the invited and accepted talks (15 min). Each presentation will have a 5-minutes Q&A session at the end, in order to promote interactive engagement with the audience.
Prof. Gyorgy Szekely, King Abdullah University of Science & Technology (KAUST)
Woody biomass is an excellent source of lignin, in addition to cellulose, hemicellulose, and certain extractives such as terpenes. The Symposium will present the status and perspectives for US woody biomass to serve as a dominant source of carbon-neutral chemicals, ranging from specialty fuels, solvents, monomers for polymers, performance chemicals such as surface-active components, flavor and fragrance compounds, and pharmaceuticals. The first half will elucidate the availability of woody biomass in the United States, as well as potential uses for that biomass, both in the area of chemicals but also in transportation fuels, heating fuels, and construction materials. Coverage will extend to sustainable forestry, the discussion of rural stakeholders, and effects on climate and public health. The second half will cover the chemical product tree from woody biomass, starting with the separation of the cellulose- and lignin-based value streams, and finishing with synthesis routes to monomers and pharmaceuticals.
Prof. Andreas (“Andy”) Bommarius, Georgia Institute of Technology
Prof. Valerie Thomas, Georgia Institute of Technology
Prof. Jason Bara, University of Alabama
Prof. Anthony Arduengo, Georgia Institute of Technology
Supercritical fluid extraction (SFE) is a powerful chemical processing technique that goes beyond the green chemistry principles of environmentally friendly solvents and essentially complete solvent recovery and reuse. While the most popular supercritical fluid is carbon dioxide, small molecule hydrocarbons, alcohols, ketones, nitrogen containing compounds (e.g., N2O and NH3) and mixtures are finding increasing applications. The ability to selectively tune temperature, pressure, polarity, and other physical properties of the supercritical solvent is attractive to a diverse audience and recent innovations in methodologies and technologies keep the field on the vanguard. Metrics, scalability, and dynamic process control and real-time monitoring enhance the range of accessible conditions and expand applications. This session highlights the practice gaps of extracting thermally-sensitive and bio-active compounds, scalability, techno-economic analysis of initial cost, efficiency, and scale-up, lack of universally applicable conditions, operator training and safety, regulatory standards, and AI and machine learning predictive modeling.
Dr. Joseph Sabol, Chemical Consult
The carbon footprint and process mass intensity of peptide and oligonucleotide manufacturing processes are currently extremely high compared to small molecules. With the increasing number of peptide and oligonucleotide medicines in development, there is a significant requirement to improve the sustainability of TIDES manufacturing. This session will share technological advances to reduce the environmental impact of peptide & oligo manufacturing including ongoing process development projects and new manufacturing technologies
Dr. Anna Watson, AstraZeneca
Dr. Alejandro Molina, Bachem
Dr. Mike Kopach, Eli Lilly and Company
Dr. Tim Johnson, Zoetis
Sustainable Product Design
As the demand for safer, more sustainable products intensifies, companies within the household and commercial products sector are embracing digital strategies to expedite design, guide developers, and ensure user safety. Swift, sustainability-focused chemical innovation in items for cleaning, maintenance, protection, and disinfection is vital for advancing quality of life amid the shift away from fossil fuel-based materials in response to the climate crisis. The cosmetics industry shares these goals and has been an eager adopter of artificial intelligence (AI) for consumer-centric benefits, offering virtual try-ons, skin analysis, and makeup assistance. Yet the scope of AI transcends the consumer realm. Rapidly advancing capabilities in machine learning and large language models are driving sustainable innovation in personal care, household and commercial products. Despite the nascent growth of AI-enabled technologies among product formulators and ingredient manufacturers, their potential to inform the creation of consciously formulated products is vast and not yet fully tapped.
This session delves into AI’s role in revolutionizing both industries. It will serve as a forum to exchange success stories of leveraging AI to stimulate green chemistry and sustainability improvements throughout product life cycles. This symposium will also create a dialogue around specific opportunities to use AI to address unmet industry needs to drive the creation of products with enhanced human health and environmental performance.
Eva Thompson, The Estee Lauder Companies
Molly Blessing, Household & Commercial Products Association
Dr. Steven Bennett, Household & Commercial Products Association
Synthesis & Catalysis
The session will highlight presentations from the ACS GCIPR award winners specifically Peter Dunn, CMO, and the new AI/ML awards. In addition, the session will highlight innovative new breakthroughs from recipients of our Grant programs.
Dr. Paul Richardson, Pfizer
Dr. Dan Bailey, Takeda
Dr. Isamir Martinez, American Chemical Society Green Chemistry Institute
Sustainability requires collective efforts from all of us on innovation in the face of declining natural resources. Correspondingly, the onus is on us chemists to invent sustainable ways to produce pharmaceuticals, polymers, and other consumables to minimize environmental footprint. Along these lines, sustainable catalysis, including Earth-abundant metal catalysis, can access different mechanistic pathways to catalyze known transformations or affect new ones. Understanding these mechanisms for catalyst design and acquiring high-quality data coupled with machine learning (ML) will not only enable the discovery of new reactions but also advance the application of earth-abundant base metals. This symposium will bring together experts in academia, industry, and government in the areas of:
- Novel Earth-Abundant metal catalysis for applications in pharmaceuticals, and other industries.
- Mechanistic studies of Earth-Abundant base metal chemistry, including kinetics and spectroscopy.
- Industrial scale production using Earth-abundant metal catalysis.
- Automation and ML strategies toward the discovery and development of Earth-Abundant metal catalysis
Prof. Laura Ackerman-Biegasiewicz, Emory University
Dr. Feng Peng, Merck & Co., Inc.
Dr. Thorsten Rosner, Porton/J-Star
The session will focus on continuous flow looking at industrial implementations specifically around what works and what doesn’t with the over-arching goal in contributions to achieving NetZero goals. Use of new technologies will also be considered specifically when these look at enabling new reactivity paradigms or evaluate strategies to minimize solvent waste. In addition, continuous purification/crystallization as well as in-line analytics/self-optimizing platforms will be considered in scope.
Dr. Paul Richardson, Pfizer
Dr. Olivier Dapremont, AMPAC
Mechanochemistry has emerged in the recent decade as a powerful tool to develop more sustainable chemical processes. In 2019, the IUPAC named Mechanochemistry and reactive extrusion as one of the ten innovations that will change the world. Defined as the science of inducing reactions through mechanical forces, mechanochemistry has exploded as a field, through its use in organic, inorganic, and organometallic chemistry, materials science and engineering, catalysis, and enzymology. It is routinely used for applications central to sustainability, such as batteries, biomass conversion, or plastics degradation, to name only a few. Importantly, the use of mechanochemistry often comes with additional benefits, such as the significant reduction of solvent and reagent use. In 2019, the mechanochemistry community came to the ACS GCI annual scientific meeting and we had a great turnout of speakers and attendees. We initiated many important conversations on the topic for better integration of mechanochemistry within the field of sustainable chemistry and engineering. Since then, papers in mechanochemistry have become prominent in many journals, including ACS Sustainable Chem. Eng. Since the mechanochemistry session at the last GC conference was very well attended and a big success, we want to bring the community back together to continue working on the many ways in which mechanochemistry can help close the loop and build a better future.
Dr. Wilfried Braje, Abbvie
Prof. Isaiah Speight, William and Mary
The aspirational UN Sustainable Development Goals prompt research on Responsible Consumption and Production, Climate Change, and Affordable and Clean Energy, among others. This session will highlight examples of industrially relevant chemical technologies developed at the CEBC that reduce net carbon dioxide emissions, through catalyst engineering, tunable solvation, and selective oxidants, guided by quantitative sustainability assessment, machine learning, and industry partnerships.
Prof. Bala Subramaniam, Kansas University
Prof. Alan Allgeier, Kansas University
The development of new synthetic methodologies and strategies has been the cornerstone upon which sustainable industrial processes are built. The pure research advances arising from academia fuel the world’s industrial innovation, while also training the scientific leaders of tomorrow. This special session highlights the research of graduate students and postdoctoral scholars across the broader, global organic chemistry community which has the potential to impact sustainable industrial chemistry. The ACS GCI Pharmaceutical Roundtable invites graduate students and postdoctoral scholars to present their research at the 28th Annual Green Chemistry & Engineering Conference (GC&E) session, Sustainability in Organic Chemistry. From abstracts submitted to this session, eight students will be selected to:
- Give a 20-minute oral presentation.
- Receive up to $1200 each in travel reimbursement.
- Be invited to a pre-conference, full-day student AI Hackathon
- Be invited to the exclusive ACS GCI Industrial Roundtable Poster Reception
- Gain experience presenting your work, network with industry professionals, and learn new approaches and innovations in the field.
*Accepted students are required to attend in person*
Dr. David Leahy, Biohaven
Catalysis has revolutionized modern synthetic methods by making them more versatile and efficient. These methods offer a wider range of substrates and better selectivity while providing a deeper understanding of the reaction mechanism and kinetics. However, these methods often lack sustainability due to the absence of green chemistry principles. In the last two decades, significant efforts have been made to integrate these principles into existing synthetic chemistry practices. To promote and advance green and sustainable chemistry, it is crucial to prioritize knowledge sharing, raise awareness, and create collaborative opportunities to train and prepare future generations. Academic- and industrial scientists often have different perspectives on sustainable synthetic methods than process chemists/engineers. Combining chemists/engineers from different backgrounds is imperative to exchange knowledge on sustainable organo- or organometallic catalysis.
The proposed symposium aims to achieve this by bringing together synthetic chemists and chemical engineers from academia and industry globally. We propose a dynamic and inclusive symposium. It will feature a wide range of early-career speakers who have made significant contributions within their first ten years of independent research. Our commitment to diversity is unwavering, as we aim to have 50% representation of females and chemists/engineers of color. Additionally, we intend to provide a global perspective by inviting speakers from diverse geographic locations spanning Asia, Australia, Africa, Europe, and North and South America. By embracing this comprehensive approach, we strive to create a platform that celebrates excellence and inclusivity in the field of sustainable catalysis. The symposium will cover a wide range of topics including data-driven synthesis, newer sustainable reaction pathways, next-generation catalysts, future solvents, mechanochemistry, biocatalysis, electrocatalysis (in organic synthesis), and photocatalysis.
The symposium aims to address sustainability challenges in different fields by showcasing the ongoing research and contributions of the speakers. The audience will gain valuable knowledge from these presentations, which will play a crucial role in educating and inspiring the future workforce, including scientists, students, and postdocs, about the transformative power of various technologies in modern synthesis.
Dr. Matthew Joannou, Bristol Myers Squibb
Dr. Shubhangi Aggarwal, Bristol Myers Squibb
Dr. Tharique Nalakath, MilliporeSigma
Dr. Sachin Handa, University of Missouri
Sujana Shifon, Bristol Myers Squibb
This Symposia is proposed in coordination with the ACS GCI Pharma RoundTable Organic solvents are highly significant detrimental contributors to at least two key sustainability metrics, process mass intensity (PMI) and global warming potential (GWP). Development of reactions in water, with minimal organic solvents in the work-up, therefore represents a significant chance to lower the PMI and GWP of pharmaceutical synthetic processes. We welcome all submissions covering aqueous-based synthetic methodologies of relevance to pharmaceutical manufacture.
Dr. David Entwistle, Codexis
The Circularity of Chemicals and Materials
On behalf of the Editors of the Royal Society of Chemistry’s journals dedicated to Green and Sustainable Chemistry (namely Green Chemistry, RSC Sustainability, EES Catalysis, and RSC Mechanochemistry) we would like to propose a thought-provoking session geared towards discussing and addressing one of the key challenges at the forefront of sustainability science. That is, how do the innovative technologies developed in the lab translate into pragmatic solutions for a more sustainable and equitable world? As we transition to a net-zero economy how can we navigate this interim period where fossil technologies are still relied upon? How can we get to where we need to be and how can the chemical science community support and accelerate the transition in a solutions-focused way? We will invite speakers from a variety of different perspectives to present their research related to this topic and comment on this overarching challenge facing researchers interfacing with industry. In line with SDG 17 (Partnerships for the Goals) we wish to highlight the nexus role that chemists and engineers play as partners in the successful implementation of new technologies and systems-thinking to advance the SDGs. GC&E conference is the ideal platform to deliver such a symposium owing to the motivated community of GC&E attendees and the significant influence and prestige of the conference.
Emma Eley, Royal Society of Chemistry
Michael Rowan, Royal Society of Chemistry
Royal Society of Chemistry
This session will take place virtually on a Friday before the Conference as part of our GC&E Fridays series.
Green chemistry education has the power to create lasting and systemic changes in our society. Laboratory experiments teach novice scientists the knowledge to design and develop more benign and cost-effective solutions to our environmental and societal challenges. In this context, the strategies and approaches for green chemistry incorporation into the education continuum is representative of the diversity of educators working in the field globally, including the importance of realizing the strength of facilitating intersectionality between EHS professionals and green chemistry practitioners.
Dr. Marta Guron, University of Pennsylvania
Dr. Juliana Vidal, Beyond Benign
Dr. John deBackere, University of Toronto
Dr. Samy Ponnusamy, MilliporeSigma
This event will take place virtually on a Friday May 24, 2024.
Virtual attendees will have a chance to present posters in this GC&E Friday event. Posters in this session can be relevant to any topic in green chemistry and engineering. (Look for the session to be added to MAPS soon).
GC&E Poster Session
This full-day workshop will take place Sunday, June 2nd.
There are many different approaches to ‘closing the loop’ of circularity in the field of polymer chemistry, whether that be focused on healable/recyclable products, biodegradability, renewable feedstocks or breaking down material to its constituent parts through depolymerization. This topic touches upon three conference tracks; The Circularity of Chemicals/Materials, Sustainable Product Design and Polymers. While there is excellent cutting edge research being performed in this area, there are also barriers to development outside academic publication. The principles of green chemistry could help us address, through collaboration, how best to overcome such barriers through sharing of experiences, ideas and holding discussions around metrics. Artificial intelligence (AI) has a great potential to aid life cycle analysis (LCA) and to establish a universal, interdisciplinary standard of open metrics and terminology. It is crucial that we start to open the conversation around this fast-growing field using workshops at events such as GCE conferences which have the prestige and the global reach to make meaningful progress.
Key considerations in the formation of feasible circular economies will include company and government policy, the availability of data for accurate modelling/metrics and engagement of users aside from scientific limitations. In this symposium, it is vital to share case studies of real-world circular economies or products to better understand the practical challenges and driving factors but also successes and inspirations from within the polymer market. Product scores can be recorded and searched by consumers in databases such as Environmental Working Group (https://www.ewg.org/skindeep/). Such scores, and the use of ecolabels and credits through organizations such as CarbonClick, allow more power in the hands of customers to demand more sustainable products. Such factors highlight the importance and need for common metrics within all industries, especially within the polymer industry who will play a part in other industries through packaging, product parts etc.
A significant part of this symposium would be a workshop around establishing universal green metrics and terminology. It would be of great interest to discuss how AI can aid us in this important aim and in keeping with the theme of the conference. Perhaps the greatest insight on this topic could be gleaned from those working within modelling and data collection. It is significant that this workshop includes a panel of diverse voices from as many aspects of the circular economy as possible such as academia, industry, suppliers, manufacturers, data analysts, policy makers. Something that can often be lacking within academic settings is external participation and voices, which can hinder efficient knowledge transfer outside of a university setting. Transfer of knowledge and established best practice is something which we hope to bring to our session through asking a range of speakers and/or panel members for the workshop element of the symposium. We hope that networking opportunities will naturally come from these discussions.
Dr. Rebecca Randle, University of Nottingham
Prof. Peter Licence, University of Nottingham
Dr. Adam Nevin, Trelleborg
Philip Brindle, Trelleborg
Lignin is the largest source of renewable polyaromatics on earth, making it an extremely promising candidate for producing bio-based chemicals, materials, and fuels. Enormous progress in lignin valorization strategies over the last two decades resulted in the development of various methods for lignin depolymerization into mixtures of mono-phenolic compounds. Due to the very complex structure of lignin, its depolymerization is often studied and optimized on so-called model compounds – simple organic molecules representing a single type of bond in lignin. This allows for a better mechanistic understanding and more thorough optimization of the reaction conditions. However, while some of these methodologies can be directly transferred to lignin, there is a huge disparity between the reactivity of lignin and lignin model compounds. The systems developed on simplified models often lead to the formation of different products or significantly lower yields when the methodology is transferred to actual lignin samples. Given that lignin is a macromolecule with an irregular structure, possessing various functional groups (phenolic, primary, and secondary hydroxyl groups, ether, ester, etc.), such discrepancy is expected. Consequently, a critical question arises: how can lignin depolymerization strategies be tailored to be effective on real feedstocks? It is apparent that lignin can not be considered simply as a sum of all types of linkages present in its structure and other conformational and macrostructural aspects need to be considered.
To propel the field of lignin chemistry forward, a multidisciplinary approach is imperative, uniting diverse research domains such as organic chemistry, polymer chemistry, material chemistry, computational chemistry, and more. In this upcoming symposium, we will try to raise major scientific questions regarding lignin reactivity and bring the required disciplines together in order to solve the current issues.
Dr. Elena Subbotina, Yale University
Dr. Fang Lin, Yale University
This workshop will consist of the following parts:
Part One: Green Chemistry and Systems Thinking for Gateway Courses and Beyond
1. Introduce workshop participants to the general format of the new ACSGCI teaching modules and describe at least one module in detail.
2. Guide participants through the planning process for including one or more modules in their general or organic chemistry course curricula.
3. Encourage feedback from participants concerning their anticipated impediments to implementation, module concepts that do/don’t fit well with their curricula, and positive/negative first impressions.
Part Two: Assessment of Impacts of Green Chemistry Curriculum
New ACS Guidelines for Bachelor’s Degree Programs advocate for integrating green chemistry into university chemistry courses. However, assessing students’ understanding of these principles remains challenging due to a lack of established tools. This workshop aims to assist green chemistry educators with assessing students’ cognitive and affective outcomes. This half-day workshop will start with an introduction to backward design. Participants will learn the three stages of backward design: i) identify desired results; ii) determine acceptable evidence; and iii) plan learning experiences.
The workshop will cover an introduction to measurement, research designs (pre-/post-test, treatment/control, multiple groups), measurement alignment with constructs of interest, data collection practices, data analysis, and reporting. The participants will be given templates for administering assessment instruments and examples of appropriate narratives to convey the assessment part of their curriculum innovations.
Dr. David Laviska, American Chemical Society Green Chemistry Institute
Dr. Sarah Prescott, University of New Hampshire
Prof. Alexey Leontyev, North Dakota State University
Prof. Yujuan Liu, California State University Sacramento
Accelerating planetary tipping points underscore the continuum of anthropogenic causes, existential threats, and gaps that offer promise beyond performative posturing. As such, navigating the precarious balance between innovation and impact cost is one that requires deliberate reflections from a whole system perspective. Beyond these global challenges being an ‘every person’ problem, the negative environmental and human health impacts continue to disproportionately burden communities of color and low-income populations, globally. To effectively challenge the status quo, we must assess who is welcome to and actively participating in conversations about change; and what that change looks like for collective humanity.
The symposium puts forth a forum to elevate the research, leadership, and revolutionary ideas of people of color across the globe. The most well-known and regarded scientific journals, environmental/sustainability NGOs and research institutions, etc. have historically marginalized the input and value of diverse voices, especially those from communities of color and the developing world. For example, the lack of racial diversity in major U.S. environmental organizations and agencies has been well-documented and climate change continues unabated (Approx. 88% percent of staff and 95% of boards of environmental NGOS were white). From an economic perspective, for more than 30 years, environmental justice groups have deployed paltry budgets to fight big battles over power plants, refineries, landfills and other projects that foul the air and land around black and Latino communities. By comparison, the Sierra Club had assets of more than $106 million in 2018, and the Union of Concerned Scientists had nearly $40 million. Further, the Nature Conservancy’s assets and grants totaled more than $1 billion that year and the Natural Resources Defense Council, more than $350 million. Considering this significant lead, we aim to spotlight and deliberately provide space for the work being done across the globe in green chemistry and sustainability framed with lens of equity, just transitioning, and ableism.
Dr. Laurel A. Royer, Carinalis Consulting and Research
Charlotte King, Snowden and King Marketing Communications
This workshop will take place 9 a.m. – 4 p.m., Sunday, June 2, 2024.
The AI Hackathon is a full-day immersive experience that serves as a replacement for our traditional student and postdoc workshop (and is open to anyone), offering an exciting opportunity to explore the intersection of artificial intelligence and sustainable practices. The AI Hackathon aims to bring together passionate individuals interested in leveraging artificial intelligence to address challenges in environmental sustainability, specifically in the realms of chemistry and engineering. Participants will collaborate, brainstorm, and develop innovative AI-powered solutions to advance green practices, reduce environmental impact, and promote sustainable development.