Saturday, July 27, 2024

GUNS OR BUTTER

Study: When allocating scarce resources with AI, randomization can improve fairness



Introducing structured randomization into decisions based on machine-learning model predictions can address inherent uncertainties while maintaining efficiency.



MASSACHUSETTS INSTITUTE OF TECHNOLOGY





CAMBRIDGE, MA – Organizations are increasingly utilizing machine-learning models to allocate scarce resources or opportunities. For instance, such models can help companies screen resumes to choose job interview candidates or aid hospitals in ranking kidney transplant patients based on their likelihood of survival.

When deploying a model, users typically strive to ensure its predictions are fair by reducing bias. This often involves techniques like adjusting the features a model uses to make decisions or calibrating the scores it generates.

However, researchers from MIT and Northeastern University argue that these fairness methods are not sufficient to address structural injustices and inherent uncertainties. In a new paper, they show how randomizing a model’s decisions in a structured way can improve fairness in certain situations.

For example, if multiple companies use the same machine-learning model to rank job interview candidates deterministically — without any randomization — then one deserving individual could be the bottom-ranked candidate for every job, perhaps due to how the model weighs answers provided in an online form. Introducing randomization into a model’s decisions could prevent one worthy person or group from always being denied a scarce resource, like a job interview.

Through their analysis, the researchers found that randomization can be especially beneficial when a model’s decisions involve uncertainty or when the same group consistently receives negative decisions.

They present a framework one could use to introduce a specific amount of randomization into a model’s decisions by allocating resources through a weighted lottery. This method, which an individual can tailor to fit their situation, can improve fairness without hurting the efficiency or accuracy of a model.

“Even if you could make fair predictions, should you be deciding these social allocations of scarce resources or opportunities strictly off scores or rankings? As things scale, and we see more and more opportunities being decided by these algorithms, the inherent uncertainties in these scores can be amplified. We show that fairness may require some sort of randomization,” says Shomik Jain, a graduate student in the Institute for Data, Systems, and Society (IDSS) and lead author of the paper.

Jain is joined on the paper by Kathleen Creel, assistant professor of philosophy and computer science at Northeastern University; and senior author Ashia Wilson, the Lister Brothers Career Development Professor in the Department of Electrical Engineering and Computer Science and a principal investigator in the Laboratory for Information and Decision Systems (LIDS). The research will be presented at the International Conference on Machine Learning.

Considering claims

This work builds off a previous paper in which the researchers explored harms that can occur when one uses deterministic systems at scale. They found that using a machine-learning model to deterministically allocate resources can amplify inequalities that exist in training data, which can reinforce bias and systemic inequality.  

“Randomization is a very useful concept in statistics, and to our delight, satisfies the fairness demands coming from both a systemic and individual point of view,” Wilson says.

In this paper, they explored the question of when randomization can improve fairness. They framed their analysis around the ideas of philosopher John Broome, who wrote about the value of using lotteries to award scarce resources in a way that honors all claims of individuals.

A person’s claim to a scarce resource, like a kidney transplant, can stem from merit, deservingness, or need. For instance, everyone has a right to life, and their claims on a kidney transplant may stem from that right, Wilson explains.

“When you acknowledge that people have different claims to these scarce resources, fairness is going to require that we respect all claims of individuals. If we always give someone with a stronger claim the resource, is that fair?” Jain says.

That sort of deterministic allocation could cause systemic exclusion or exacerbate patterned inequality, which occurs when receiving one allocation increases an individual’s likelihood of receiving future allocations. In addition, machine-learning models can make mistakes, and a deterministic approach could cause the same mistake to be repeated.

Randomization can overcome these problems, but that doesn’t mean all decisions a model makes should be randomized equally.

Structured randomization

The researchers use a weighted lottery to adjust the level of randomization based on the amount of uncertainty involved in the model’s decision-making. A decision that is less certain should incorporate more randomization.

“In kidney allocation, usually the planning is around projected lifespan, and that is deeply uncertain. If two patients are only five years apart, it becomes a lot harder to measure. We want to leverage that level of uncertainty to tailor the randomization,” Wilson says.

The researchers used statistical uncertainty quantification methods to determine how much randomization is needed in different situations. They show that calibrated randomization can lead to fairer outcomes for individuals without significantly affecting the utility, or effectiveness, of the model.

“There is a balance to be had between overall utility and respecting the rights of the individuals who are receiving a scarce resource, but oftentimes the tradeoff is relatively small,” says Wilson. 

However, the researchers emphasize there are situations where randomizing decisions would not improve fairness and could harm individuals, such as in criminal justice contexts.

But there could be other areas where randomization can improve fairness, such as college admissions, and the researchers plan to study other use-cases in future work. They also want to explore how randomization can affect other factors, such as competition or prices, and how it could be used to improve the robustness of machine-learning models.

“We are hoping our paper is a first move toward illustrating that there might be a benefit to randomization. We are offering randomization as a tool. How much you are going to want to do it is going to be up to all the stakeholders in the allocation to decide. And, of course, how they decide is another research question all together,” says Wilson.

 

 

ISU studies explore win-win potential of grass-powered energy production



IOWA STATE UNIVERSITY
Anaerobic digester 

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AN ANAEROBIC DIGESTER USED BY THE CITY OF AMES' WATER POLLUTION CONTROL FACILITY. ONE OF TWO RECENT FEASIBILITY STUDIES BY AN IOWA STATE UNIVERSITY RESEARCH TEAM EXPLORING USING PRAIRIE GRASS TO MAKE BIOFUELS MODELED AN EXPANDED NETWORK OF ANAEROBIC DIGESTERS IN AMES.

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CREDIT: LISA SCHULTE MOORE




AMES, Iowa – Strategically planting perennial grass throughout corn and soybean fields helps address the unintended environmental consequences of growing the dominant row crops, including soil erosion, fertilizer runoff and greenhouse gas emissions.

But converting portions of farmland back to prairie has to make financial sense for farmers, which is why a research team led by Iowa State University landscape ecologist Lisa Schulte Moore has spent the past six years studying how to efficiently turn harvested grass into lucrative renewable natural gas.

“We’re looking at existing markets where there is already a demand, use existing infrastructure to reduce costs of the energy transition and create wins in multiple categories. We want wins for farmers, wins for businesses, wins for municipalities and wins for society,” said Schulte Moore, professor of natural resource ecology and management and director of the Consortium for Cultivating Human And Naturally reGenerative Enterprises (C-CHANGE). “We can have great conversations about what could be, but unless it benefits everyone along these supply chains, it won’t happen.”

A pair of recently published peer-reviewed articles by Schulte-Moore’s research group modeled the economic feasibility of grass-to-gas production in different settings and from varying perspectives, analysis that helps flesh out the system’s win-win potential. 

“To replace natural gas with resources that revitalize sustainable agriculture, we have to be able to quantify how much energy we can produce and show it can be cost effective and environmentally friendly,” said associate professor of mechanical engineering Mark Mba-Wright, co-author of the studies. 

City-based scenarios

The ongoing research is funded in part by a $10 million federal grant in 2020, another $10 million in federal support in 2022 and about $650,000 from the Walton Family Foundation. The work centers on optimizing and expanding the use of anaerobic digesters. Biogas is released in anaerobic digestion, the natural process of organic matter biodegrading without oxygen. Captured in tank-like digesters, biogas can be processed into a fuel that easily swaps in for petroleum-based natural gas. It also can power electrical generators and produce fertilizer.

In a study published in BioEnergy Research, the Iowa State researchers modeled how a network of digesters in and around Ames could supply the city’s heat and power demands. Livestock manure, biofuel byproducts, food waste and wastewater would join grassy biomass as the feedstock supplies for up to 10 digesters. The locations, size and number of facilities depended on whether the network was designed primarily to produce natural gas or power. 

The analysis found renewable natural gas was the most economically practical focus, with a levelized cost roughly twice the historical average price of traditional natural gas. Incentives supporting clean energy production could provide a boost to make pricing competitive. Regardless, seeing how digester supply chains would work to serve municipal needs helps city leaders envision possibilities, Mba-Wright said. 

“We wanted to consider the seasonality of the supply and demand over a year to give a mayor, for instance, scenarios to look at and strategize around,” he said. 

Researchers have discussed anaerobic digestion with municipal wastewater officials in several cities in Iowa, and generally they’ve been curious, said Schulte Moore, co-director of the Bioeconomy Institute and a 2021 MacArthur Fellow.

“Their immediate need is to provide a service to their customers 24-7. But they work on 15- to 30-year planning horizons, so they’re also thinking about the future,” she said. 

A grass-to-gas road map

study published in Global Change Biology Bioenergy modeled the economic and environmental impact of two hypothetical digesters processing grassy biomass in the Grand River Basin in northwest Missouri and southwest Iowa.

Over their expected 20-year lifespan, the digesters would produce a combined profit of more than $400 million under the best conditions, based on the researchers’ analysis. The 45 million gigajoules of renewable natural gas created over two decades – equal to about 12.5 billion kilowatt hours – would have a carbon footprint 83% lower than natural gas derived from fossil fuels. Emissions also project to be lower than those from corn-based ethanol or soybean-based biodiesel. 

Most existing anaerobic digesters that produce renewable natural gas have run on dairy manure, so it’s essential to pencil out how they would perform on a grass diet, Mba-Wright said.

“This is dotting our ‘i’s and crossing our ‘t’s to confirm the benefits are what we’d expect. We’re providing a road map to help build infrastructure, which will in turn reduce future costs,” he said. 

The profitable scenarios examined in the study rely on existing carbon credit programs, including the California Low Carbon Fuel Standard and federal Renewable Fuel Standard. The most valuable outcomes also require high-yield grass and prairie restoration on some of the least-productive farmland.

Researchers aimed to be as realistic as possible in both studies, accounting for all known costs – including capital expenses. But they’ll be even more accurate in the coming years, as methods improve and new research results roll in, Schulte Moore said.

“In the future, we will refine our models by plugging in data our research teams have collected right here in Iowa,” she said. 

 

Two shark species documented in Puget Sound for first time by Oregon State researchers




OREGON STATE UNIVERSITY

Broadnose sevengill shark 

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LISA HILLIER OF THE WASHINGTON DEPARTMENT OF FISH AND WILDLIFE WITH A BROADNOSE SEVENGILL SHARK.

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CREDIT: JESSICA SCHULTE




CORVALLIS, Oregon – Oregon State University researchers have made the first scientific confirmation in Puget Sound of two distinct shark species, one of them critically endangered.

The presence of the broadnose sevengill shark and endangered soupfin shark in the sound, the southern portion of the Salish Sea, may indicate changes in what biologists in OSU’s Big Fish Lab describe as an economically, culturally and ecologically valuable inland waterway.

The Salish Sea separates northwest Washington from British Columbia’s Vancouver Island. The 6,500-square-mile body of water stretches into Washington as Puget Sound, and the sharks were caught close to Olympia near the sound’s southernmost point.

Taylor Chapple, an assistant professor in Oregon State’s College of Agricultural Sciences, and graduate students Jessica Schulte and Ethan Personius report the broadnose sevengill and soupfin documentations in papers published in Frontiers in Marine Science.

The authors collaborated with partners at NOAA’s National Marine Fisheries Service and the Washington Department of Fish and Wildlife to confirm that the broadnose sevengill, an apex predator that can grow to nearly 10 feet, is now inhabiting heavily urbanized South Puget Sound.

“Understanding the sevengill presence in this new habitat is crucial for understanding the food webs of the Salish Sea, and it highlights the need for continued monitoring and research – including their relationship with other species of conservation concern, such as salmon,” said Schulte, the lead author on the sevengill paper.

Broadnose sevengill sharks – so named because they have two more gill slits than most shark species – eat a wide variety of prey: fishes (including rays and other sharks), crustaceans and marine mammals. They live in temperate waters worldwide, and off the west coast of North America they range from southern Alaska to Baja California.

Prior to 2021, only one sevengill shark had ever been confirmed in the Salish Sea, at Point Roberts, Washington, near the Canadian border. In August 2021, however, anecdotal reports indicated several of them had been caught in South Puget Sound.

During 10 days of field work in 2022 and 2023, the scientists caught nine sevengills, more than 190 miles away from their previously documented range. Eight of them were males – the largest measured just under 7 feet – and the female was about 4 feet, 6 inches.

“Our continued research on this species in Oregon and Washington waters will allow us to have a better handle on its role in our valuable marine ecosystems,” Schulte said.

The same holds for the soupfin shark, said Personius, the lead author on that paper. It is the largest species of hound shark, can be as big as 6 1/2 feet and got its name because of its use as the key ingredient in shark fin soup.

“Soupfin sharks were relentlessly exploited during the 1930s and 1940s, including for their livers, which are rich in vitamin A,” Personius said. “Despite lower fishing pressure the species has not been able to recover and is currently under consideration for federal protection under the Endangered Species Act.”

Like the broadnose sevengill shark, the soupfin shark is found in temperate waters around the globe and is a top predator in any ecosystem it inhabits, eating cephalopods as well as a variety of fishes. Soupfin sharks are known as strong swimmers whose migrations can exceed 1,000 miles.

In field work concurrent with the sevengill project, the scientists caught one soupfin shark, a male that measured just over 5 feet.

“The Salish Sea has experienced pervasive shifts in species abundance and composition along with industrialization and significant habitat degradation,” Personius said. “The appearance of soupfin sharks may be a result of climate change and changes in prey availability.”

Following the 2014-15 extreme marine heat wave event known as “The Blob,” he explained, anchovies emerged as a dominant forage fish species in the Salish Sea after having been historically uncommon there. Soupfin sharks are a known predator of anchovies.

Graduate student Maddie English is a co-author of the soupfin shark paper, along with scientists from the NOAA Marine Fisheries Service and the Washington Department of Fish and Wildlife. Research associate Alexandra McInturf contributed to the sevengill study.

 

Media Tip Sheet: Urban Ecology at #ESA2024



Featured presentations at the 109th Annual Meeting of the Ecological Society of America in Long Beach, California


ECOLOGICAL SOCIETY OF AMERICA

2024 Ecological Society of America Annual Meeting 

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THE 2024 ANNUAL MEETING OF THE ECOLOGICAL SOCIETY OF AMERICA WILL TAKE PLACE IN LONG BEACH, CALIFORNIA, AUG 4-9. MEMBERS OF THE PRESS ARE INVITED TO APPLY FOR COMPLIMENTARY PRESS REGISTRATION.

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CREDIT: ECOLOGICAL SOCIETY OF AMERICA




Interest in urban ecology is growing rapidly as cities expand and the need to understand urban ecosystems becomes more pressing. The Ecological Society of America’s upcoming Annual Meeting in Long Beach, Calif., Aug. 4–9, features a diverse array of talks and posters dedicated to this dynamic field.

Researchers from around the world will present their latest findings on how urban environments impact biodiversity, ecosystem services and human well-being. In addition to a Symposium devoted to the urban ecology of Greater Los Angeles, dozens of talks and posters will offer valuable insights into the challenges and opportunities of managing and conserving urban ecosystems.

The presentations listed below are just a fraction of the scientific research being shared at ESA’s Annual Meeting. ESA invites staff journalists, freelance journalists, student journalists and press officers to register for free as media attendees up to and throughout the week of the conference. For eligibility information, please visit ESA’s press registration credential policy page.

Members of the media will be able to attend all scientific sessions and will have access to a press room where they can enjoy refreshments, internet access, a printer and an interview area. A virtual registration option is also available. Virtual attendees will have access to 13 livestreamed hybrid sessions, a variety of on-demand recorded content and the full online program that will be available on the meeting platform until summer 2025.

 

Monday, August 5

1:30 PM –
1:45 PM

Indigenous-led pathways for meaningful collaborations and solutions to urban ecological restoration and management
Presenter: Ary Amaya, UCLA and Anawakalmekak
Contributed Talk – Rm 203B

2:15 PM –
2:30 PM

It's not just your imagination: Trees really are cool
Presenter: Melissa McHale, University of British Columbia
Organized Oral Session – Grand Ballroom A

 

Tuesday, August 6

8:00 AM –
8:15 AM

Analyzing ecological interactions between urban trees and vertebrate species: a comparative study of New Delhi and Bengaluru, India
Presenter: Madhusudan Katti, North Carolina State University
Contributed Talk – Regency DEF

9:00 AM –
9:15 AM

Rooted inequities: Unveiling socio-economic disparities in Baltimore street tree diversity and distribution
Presenter: Meghan Avolio, John Hopkins University
Contributed Talk – Regency DEF

10:15 AM –
10:30 AM

Investigating the role of reproductive traits in structuring urban plant communities
Presenter: Stephanie Rivest, IRBV & Université de Montréal
Contributed Talk – Regency DEF

11:00 AM –
11:15 AM

Temperature differences related to urban socioeconomic gradients affect mosquito population growth
Presenter: Sarah Rothman, University of Maryland
Contributed Talk – Regency DEF

2:30 PM –
2:45 PM

How is success defined in urban afforestation initiatives? A case study of the New York City Million Trees initiative
Presenter: Elizabeth Cook, Barnard College
Contributed Talk – Regency DEF

 

Wednesday, August 7

1:30 PM -
1:45 PM

Assessing the relative importance of climate, biogeography, history, and socio-economic drivers of ecological homogenization of cities
Presenter: Marc Cadotte, University of Toronto, Scarborough
Organized Oral Session – Rm 104B

2:45 PM -
3:00 PM

Urban street trees host more endophytes and human pathogens than rural trees
Presenter: Kathryn Atherton, Boston University
Contributed Talk – Regency DEF

3:30 PM -
3:45 PM

Equitable pollinator habitat in cities: promising or problematic?
Presenter: Susannah Lerman, U.S. Forest Service
Contributed Talk – Regency DEF

3:30 PM -
5:00 PM

Exploring the past, present, and future of urban ecology in Los Angeles
Presenters: Eric Wood, California State University, Los Angeles; Natasha Khanna-Dang, California State University, Los Angeles; Jamiah Hargins, Crop Swap LA; Jonathan Ocón, Clark University; Alejandro Fabian, TreePeople; Rebecca Ferdman, LA County Chief Sustainability Office; Jason Douglas, University of California, Irvine
Inspire Session – Brand Ballroom B

5:00 PM -
6:30 PM

Ecological impacts and energetic trade-offs of a resilient coral in Honolulu Harbor
Presenter: Madelief Schelvis, University of Hawaii at Manoa
Contributed Poster – Exhibit Hall, Poster 48-125

5:00 PM -
6:30 PM

Invasive species across kingdoms: Seasonal impacts of invasive Amynthas earthworms on urban biogeochemistry in native and non-native forests
Presenter: Kelsey Parker, CUNY Advanced Science Research Center
Contributed Poster – Exhibit Hall, Poster 45-104

 

Thursday, August 8

4:00 PM -
4:15 PM

Lessons learned managing vacant land as pollinator habitat
Presenter: Mary Gardiner, The Ohio State University
Organized Oral Session – Grand Ballroom B

5:00 PM -
6:30 PM

From the theoretical to paws on the ground - validating connectivity models with hyper-local ground-truth data
Presenter: Auxenia Privett-Mendoza, Arroyos & Foothills Conservancy
Latebreaking Poster – Exhibit Hall, Poster 12-124

5:00 PM -
6:30 PM

High concentrations of harmful heavy metals, and evidence of urban-tolerant hunting behaviors, found in the diets of Stanford University’s peregrine falcons (Falco peregrinus)
Presenter: Maya Xu, Stanford University
Latebreaking Poster – Exhibit Hall, Poster 32-285

 

On-site Press Room

Location: Room 203A, Long Beach Convention Center, 300 E Ocean Blvd, Long Beach, CA 90802

Press Room hours:
Sunday, August 4:12:00 pm – 5:00 pm
Monday, August 5: 7:00 am – 5:00 pm
Tuesday, August 6: 7:00 am – 5:00 pm
Wednesday, August 7: 7:00 am – 5:00 pm
Thursday, August 8: 7:00 am – 5:00 pm

Phone number: (562) 499-7731  

 

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The upcoming ESA Annual Meeting will take place August 4–9 in Long Beach, California, and will feature thousands of oral and poster presentations on the latest ecological science. Learn more on the meeting website. ESA invites press and institutional public information officers to attend for free. To register, please contact ESA Public Affairs Manager Mayda Nathan directly at mayda@esa.org. On-site registration and virtual registration (providing access to the entire program and a limited number of hybrid sessions) are also available.

###

The Ecological Society of America, founded in 1915, is the world’s largest community of professional ecologists and a trusted source of ecological knowledge, committed to advancing the understanding of life on Earth. The 8,000 member Society publishes six journals and a membership bulletin and broadly shares ecological information through policy, media outreach and education initiatives. The Society’s Annual Meeting attracts 4,000 attendees and features the most recent advances in ecological science. Visit the ESA website at https://www.esa.org

 

Follow ESA on social media:
Twitter/X – @esa_org
Instagram – @ecologicalsociety
Facebook – @esa.org

 

University of Washington researchers take flight with new insights on bat evolution



PEERJ
Gliding toward an understanding of the origin of flight in bats 

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BATS ARE THE ONLY MAMMALS CAPABLE OF POWERED FLIGHT AND HAVE CORRESPONDINGLY SPECIALIZED BODY PLANS, PARTICULARLY IN THEIR LIMB MORPHOLOGY. 

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CREDIT: ZDENĚK MACHÁČEK




University of Washington Researchers Take Flight with New Insights on Bat Evolution

Video Interview with Authors - https://youtu.be/6rogrh2_HN0

In new research published in PeerJ Life & Environment, researchers from the University of Washington, University of Texas at Austin and Oregon Institute of Technology, led by undergraduate student Abby Burtner, have advanced our understanding of the evolutionary origins of flight in bats. The study, titled "Gliding toward an Understanding of the Origin of Flight in Bats," employs phylogenetic comparative methods to explore the evolutionary transition from gliding to powered flight in these unique mammals.

Bats are the only mammals capable of powered flight, a feat enabled by their highly specialized limb morphology. However, the evolutionary pathway that led to this capability has remained elusive due to an incomplete fossil record. Burtner et al.'s research provides significant insights by testing the hypothesis that bats evolved from gliding ancestors.

The research team analyzed a comprehensive dataset of limb bone measurements that included four extinct bats and 231 extant mammals with various locomotor modes. Their findings reveal that gliders exhibit relatively elongate forelimb and narrower hindlimb bones that are intermediate between those of bats and non-gliding arboreal mammals. Evolutionary modeling of these data offers support for the hypothesis that selection may be strong on certain forelimb traits, pulling them from a glider towards a flyer adaptive zone in bats.

"We propose an adaptive landscape of limb bone traits across locomotor modes based on the  results from our modeling analyses," said Dr. Santana. "Our results, combined with previous research on bat wing development and aerodynamics, support a hypothetical evolutionary pathway wherein a glider-like forelimb morphology preceded the evolution of specialized bat wings"

This study not only supports the gliding-to-flying hypothesis but also challenges the traditional view of bat and glider limb evolution. The researchers emphasize the need for future studies to test the biomechanical implications of these bone morphologies and to consider the complex genetic and ecological factors that influenced the evolution of bat powered flight.

"Our findings contribute to the hypothesis that bats evolved from gliding ancestors and lays a morphological foundation in our understanding of bat flight” Dr. Law added. "However, we stress that additional fossils are necessary to truly unravel the mysteries of this remarkable evolutionary transition."

For more information on this study or to arrange an interview with Dr. Law or Dr. Santana, please contact the University of Washington’s Department of Biology.

 

New additive process can make better — and greener — high-value chemicals



CABBI team used eco-friendly photoenzymes to add flourine to olefins, which could lead to more effective agrochemicals, medicines, and fuels



UNIVERSITY OF ILLINOIS AT URBANA-CHAMPAIGN INSTITUTE FOR SUSTAINABILITY, ENERGY, AND ENVIRONMENT

CABBI Fluorines: Huimin Zhao and Maolin Li 

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CABBI POSTDOCTORAL RESEARCHER MAOLIN LI (SEATED) AND CONVERSION THEME LEADER HUIMIN ZHAO WORK IN THEIR LAB AT THE CARL R. WOESE INSTITUTE FOR GENOMIC BIOLOGY AT THE UNIVERSITY OF ILLINOIS URBANA-CHAMPAIGN. THEY LED A RESEARCH TEAM THAT USED A PHOTOENZYMATIC PROCESS TO PRECISELY MIX FLUORINE, AN IMPORTANT ADDITIVE, INTO WIDELY USED CHEMICALS CALLED OLEFINS. THIS GROUNDBREAKING METHOD OFFERS AN EFFICIENT AND ECO-FRIENDLY STRATEGY FOR CREATING HIGH-VALUE CHEMICALS WITH POTENTIAL APPLICATIONS IN AGROCHEMICALS, PHARMACEUTICALS, RENEWABLE FUELS, AND MORE.

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CREDIT: CENTER FOR ADVANCED BIOENERGY AND BIOPRODUCTS INNOVATION (CABBI)




Researchers at the Center for Advanced Bioenergy and Bioproducts Innovation (CABBI) have achieved a significant breakthrough that could lead to better — and greener — agricultural chemicals and everyday products.

Using a process that combines natural enzymes and light, the team from the University of Illinois Urbana-Champaign developed an eco-friendly way to precisely mix fluorine, an important additive, into chemicals called olefins — hydrocarbons used in a vast array of products, from detergents to fuels to medicines. This groundbreaking method offers an efficient new strategy for creating high-value chemicals with potential applications in agrochemicals, pharmaceuticals, renewable fuels, and more.

The study, published in Science, was led by CABBI Conversion Theme Leader Huimin Zhao, Professor of Chemical and Biomolecular Engineering (ChBE), Biosystems Design Theme Leader at the Carl R. Woese Institute for Genomic Biology (IGB), and Director of the NSF Molecule Maker Lab Institute at Illinois; and lead author Maolin Li, a Postdoctoral Research Associate with CABBI, ChBE, and IGB.

As an additive, fluorine can make agrochemicals and medicines work better and last longer. Its small size, electronic properties, and ability to dissolve easily in fats and oils all have a profound impact on the function of organic molecules, augmenting their absorption, metabolic stability, and protein interactions. However, adding fluorine is tricky and usually requires complex chemical processes that are not always friendly to the environment.

The scientists in this study used a “photoenzyme” — a repurposed enzyme that works under light – to help bring fluorine into these chemicals. By using light and photoenzymes, they were able to precisely attach fluorine to olefins, controlling exactly where and how it is added. Because this method is not only environmentally friendly but very specific, it allows for more efficient creation of useful new compounds that were difficult to make before.

This approach fills a large gap in molecular chemistry, as previous methods to add fluorine were limited and inefficient. It also opens up new possibilities for creating better medicines and agricultural products, as fluorinated compounds are often more effective, stable, and longer-lasting than their non-fluorinated counterparts. That means fertilizers and herbicides could be more effective in protecting crops, and medicines could be more potent or have fewer side effects.

“This breakthrough represents a significant shift in how we approach the synthesis of fluorinated compounds, crucial in numerous applications from medicine to agriculture,” Zhao said. “By harnessing the power of light-activated enzymes, we’ve developed a method that improves the efficiency of these syntheses and aligns with environmental sustainability. This work could pave the way for new, greener technologies in chemical production, which is a win not just for science, but for society at large.”

The research advances CABBI’s bioenergy mission by pioneering innovative methods in biocatalysis that can enhance the production of bio-based chemicals — those derived from renewable resources such as plants or microorganisms rather than petroleum. The development of more efficient and environmentally friendly biochemical processes aligns with CABBI’s focus on creating sustainable bioenergy solutions that minimize environmental impact and reduce reliance on fossil fuels.

It also contributes to the broader U.S. Department of Energy (DOE) mission of driving advances in bioenergy and bioproducts. The methods developed in this study can lead to more sustainable industrial processes that are less energy-intensive and reduce chemical waste and pollution, supporting DOE’s goals of fostering clean energy technologies. The ability to efficiently create high-value fluorinated compounds could lead to enhancements in various fields, including renewable energy sources and bioproducts that support economic growth and environmental sustainability.

“Our research opens up fascinating possibilities for the future of pharmaceutical and agrochemical development,” Li said. “By integrating fluorine into organic molecules through a photoenzymatic process, we are not only enhancing the beneficial properties of these compounds but also doing so in a manner that’s more environmentally responsible. It’s thrilling to think about the potential applications of our work in creating more effective and sustainable products for everyday use.”

CABBI researchers Yujie Yuan, Wesley Harrison, and Zhengyi Zhang of ChBE and IGB at Illinois were co-authors on this study.