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Selective chemical looping combustion of acetylene in ethylene-rich streams
IF 44.7 1区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2025-02-13
Matthew Jacob, Huy Nguyen, Rishi Raj, Javier Garcia-Barriocanal, Jiyun Hong, Jorge E. Perez-Aguilar, Adam S. Hoffman, K. Andre Mkhoyan, Simon R. Bare, Matthew Neurock, Aditya Bhan
The requirement for C2H2 concentrations below 2 parts per million (ppm) in gas streams for C2H4 polymerization necessitates its semihydrogenation to C2H4. We demonstrate selective chemical looping combustion of C2H2 in C2H4-rich streams by Bi2O3 as an alternative catalytic pathway to reduce C2H2 concentration below 2 ppm. Bi2O3 combusts C2H2 with a first-order rate constant that is 3000 times greater than the rate constant for C2H4 combustion. In successive redox cycles, the lattice O of Bi2O3 can be fully replenished without discernible changes in local Bi coordination or C2H2 combustion selectivity. Heterolytic activation of C–H bonds across Bi–O sites and the higher acidity of C2H2 results in lower barriers for C2H2 activation than C2H4, enabling selective catalytic hydrocarbon combustion leveraging differences in molecular deprotonation energies.
{"title":"Selective chemical looping combustion of acetylene in ethylene-rich streams","authors":"Matthew Jacob,&nbsp;Huy Nguyen,&nbsp;Rishi Raj,&nbsp;Javier Garcia-Barriocanal,&nbsp;Jiyun Hong,&nbsp;Jorge E. Perez-Aguilar,&nbsp;Adam S. Hoffman,&nbsp;K. Andre Mkhoyan,&nbsp;Simon R. Bare,&nbsp;Matthew Neurock,&nbsp;Aditya Bhan","doi":"","DOIUrl":"","url":null,"abstract":"<div >The requirement for C<sub>2</sub>H<sub>2</sub> concentrations below 2 parts per million (ppm) in gas streams for C<sub>2</sub>H<sub>4</sub> polymerization necessitates its semihydrogenation to C<sub>2</sub>H<sub>4</sub>. We demonstrate selective chemical looping combustion of C<sub>2</sub>H<sub>2</sub> in C<sub>2</sub>H<sub>4</sub>-rich streams by Bi<sub>2</sub>O<sub>3</sub> as an alternative catalytic pathway to reduce C<sub>2</sub>H<sub>2</sub> concentration below 2 ppm. Bi<sub>2</sub>O<sub>3</sub> combusts C<sub>2</sub>H<sub>2</sub> with a first-order rate constant that is 3000 times greater than the rate constant for C<sub>2</sub>H<sub>4</sub> combustion. In successive redox cycles, the lattice O of Bi<sub>2</sub>O<sub>3</sub> can be fully replenished without discernible changes in local Bi coordination or C<sub>2</sub>H<sub>2</sub> combustion selectivity. Heterolytic activation of C–H bonds across Bi–O sites and the higher acidity of C<sub>2</sub>H<sub>2</sub> results in lower barriers for C<sub>2</sub>H<sub>2</sub> activation than C<sub>2</sub>H<sub>4</sub>, enabling selective catalytic hydrocarbon combustion leveraging differences in molecular deprotonation energies.</div>","PeriodicalId":21678,"journal":{"name":"Science","volume":"387 6735","pages":""},"PeriodicalIF":44.7,"publicationDate":"2025-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143404844","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Where does all the water go?
IF 44.7 1区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2025-02-13
Taka’aki Taira, Roland Bürgmann
Groundwater aquifers are extremely important sources and storage reservoirs of fresh water, especially in regions experiencing severe droughts that can rapidly diminish surface-water supplies. Unsustainable groundwater use can have detrimental effects such as aquifer depletion, loss of storage capacity, chemical and waste contamination, saltwater intrusion, and rapid land subsidence. Thus, it is essential to accurately track changes in the distribution of groundwater to manage the use and replenishment of these water systems below Earth’s surface. However, conventional groundwater measurements are limited in their ability to map out the spatiotemporal state of aquifers, which makes it challenging to track groundwater storage. On page 758 of this issue, Mao et al. (1) report how groundwater storage distribution can be monitored in both space and time through measurements of seismic ground vibrations or noise. This approach should enable surveillance of the amounts of subsurface water and enhance the management of sustainable groundwater use.
{"title":"Where does all the water go?","authors":"Taka’aki Taira,&nbsp;Roland Bürgmann","doi":"","DOIUrl":"","url":null,"abstract":"<div >Groundwater aquifers are extremely important sources and storage reservoirs of fresh water, especially in regions experiencing severe droughts that can rapidly diminish surface-water supplies. Unsustainable groundwater use can have detrimental effects such as aquifer depletion, loss of storage capacity, chemical and waste contamination, saltwater intrusion, and rapid land subsidence. Thus, it is essential to accurately track changes in the distribution of groundwater to manage the use and replenishment of these water systems below Earth’s surface. However, conventional groundwater measurements are limited in their ability to map out the spatiotemporal state of aquifers, which makes it challenging to track groundwater storage. On page 758 of this issue, Mao <i>et al</i>. (<i>1</i>) report how groundwater storage distribution can be monitored in both space and time through measurements of seismic ground vibrations or noise. This approach should enable surveillance of the amounts of subsurface water and enhance the management of sustainable groundwater use.</div>","PeriodicalId":21678,"journal":{"name":"Science","volume":"387 6735","pages":""},"PeriodicalIF":44.7,"publicationDate":"2025-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143404834","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Constrained roads to complex brains
IF 44.7 1区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2025-02-13
Giacomo Gattoni, Maria Antonietta Tosches
During the arms race for survival on Earth, highly intelligent biological systems have emerged only a few times. Among vertebrates, mammals and birds can solve complex problems, use tools, and engage in elaborate social behaviors. These sophisticated tasks involve the pallium, the brain region most implicated in cognition, which includes the neocortex in mammals. However, it is unclear whether complex brains evolved multiples times through similar or different mechanisms. On pages 733, 734, and 732 of this issue, Zaremba et al. (1), Hecker et al. (2), and Rueda-Alaña et al. (3), respectively, provide evidence for the convergent development and evolution of neurons and their connections in the bird and mammalian pallia, highlighting the need for multiple perspectives in brain comparative studies.
{"title":"Constrained roads to complex brains","authors":"Giacomo Gattoni,&nbsp;Maria Antonietta Tosches","doi":"","DOIUrl":"","url":null,"abstract":"<div >During the arms race for survival on Earth, highly intelligent biological systems have emerged only a few times. Among vertebrates, mammals and birds can solve complex problems, use tools, and engage in elaborate social behaviors. These sophisticated tasks involve the pallium, the brain region most implicated in cognition, which includes the neocortex in mammals. However, it is unclear whether complex brains evolved multiples times through similar or different mechanisms. On pages 733, 734, and 732 of this issue, Zaremba <i>et al</i>. (<i>1</i>), Hecker <i>et al</i>. (<i>2</i>), and Rueda-Alaña <i>et al</i>. (<i>3</i>), respectively, provide evidence for the convergent development and evolution of neurons and their connections in the bird and mammalian pallia, highlighting the need for multiple perspectives in brain comparative studies.</div>","PeriodicalId":21678,"journal":{"name":"Science","volume":"387 6735","pages":""},"PeriodicalIF":44.7,"publicationDate":"2025-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143404839","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Time to fix the biodiversity leak
IF 44.7 1区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2025-02-13
Andrew Balmford, Thomas S. Ball, Ben Balmford, Ian J. Bateman, Graeme Buchanan, Gianluca Cerullo, Francisco d’Albertas, Alison Eyres, Ben Filewod, Brendan Fisher, Jonathan M. H. Green, Kyle S. Hemes, Jody Holland, Miranda S. Lam, Robin Naidoo, Alexander Pfaff, Taylor H. Ricketts, Fiona Sanderson, Timothy D. Searchinger, Bernardo B. N. Strassburg, Thomas Swinfield, David R. Williams
As momentum builds behind hugely ambitious initiatives like the Global Biodiversity Framework (GBF) 30 x 30 target and the European Union’s (EU’s) Biodiversity and Forestry Strategies, there is a danger that hard-won local conservation gains will be dissipated through leakage, the displacement of human activities that harm biodiversity away from the site of an intervention to other places (1). These off-site damages may be less than on-site gains—in which case the action is still beneficial but less so than it superficially seems. However, if activities are displaced to more biodiverse (or less productive) places, leakage impacts may exceed local benefits, so that well-intentioned efforts cause net harm. There is a pressing need for leakage effects like this to be acknowledged and as far as possible avoided or mitigated—through demand reduction, careful selection of conservation or restoration sites, or compensatory increases in production in lower-impact areas.
{"title":"Time to fix the biodiversity leak","authors":"Andrew Balmford,&nbsp;Thomas S. Ball,&nbsp;Ben Balmford,&nbsp;Ian J. Bateman,&nbsp;Graeme Buchanan,&nbsp;Gianluca Cerullo,&nbsp;Francisco d’Albertas,&nbsp;Alison Eyres,&nbsp;Ben Filewod,&nbsp;Brendan Fisher,&nbsp;Jonathan M. H. Green,&nbsp;Kyle S. Hemes,&nbsp;Jody Holland,&nbsp;Miranda S. Lam,&nbsp;Robin Naidoo,&nbsp;Alexander Pfaff,&nbsp;Taylor H. Ricketts,&nbsp;Fiona Sanderson,&nbsp;Timothy D. Searchinger,&nbsp;Bernardo B. N. Strassburg,&nbsp;Thomas Swinfield,&nbsp;David R. Williams","doi":"","DOIUrl":"","url":null,"abstract":"<div >As momentum builds behind hugely ambitious initiatives like the Global Biodiversity Framework (GBF) 30 x 30 target and the European Union’s (EU’s) Biodiversity and Forestry Strategies, there is a danger that hard-won local conservation gains will be dissipated through leakage, the displacement of human activities that harm biodiversity away from the site of an intervention to other places (<i>1</i>). These off-site damages may be less than on-site gains—in which case the action is still beneficial but less so than it superficially seems. However, if activities are displaced to more biodiverse (or less productive) places, leakage impacts may exceed local benefits, so that well-intentioned efforts cause net harm. There is a pressing need for leakage effects like this to be acknowledged and as far as possible avoided or mitigated—through demand reduction, careful selection of conservation or restoration sites, or compensatory increases in production in lower-impact areas.</div>","PeriodicalId":21678,"journal":{"name":"Science","volume":"387 6735","pages":""},"PeriodicalIF":44.7,"publicationDate":"2025-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143404277","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Elephant seals as ecosystem sentinels for the northeast Pacific Ocean twilight zone
IF 44.7 1区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2025-02-13
Roxanne S. Beltran, Allison R. Payne, A. Marm Kilpatrick, Conner M. Hale, Madison Reed, Elliott L. Hazen, Steven J. Bograd, Joffrey Jouma’a, Patrick W. Robinson, Emma Houle, Wade Matern, Alea Sabah, Kathryn Lewis, Samantha Sebandal, Allison Coughlin, Natalia Valdes Heredia, Francesca Penny, Sophie Rose Dalrymple, Heather Penny, Meghan Sherrier, Ben Peterson, Joanne Reiter, Burney J. Le Boeuf, Daniel P. Costa
The open ocean twilight zone holds most of the global fish biomass but is poorly understood owing to difficulties of measuring subsurface ecosystem processes at scale. We demonstrate that a wide-ranging carnivore—the northern elephant seal—can serve as an ecosystem sentinel for the twilight zone. We link ocean basin–scale foraging success with oceanographic indices to estimate twilight zone fish abundance five decades into the past, and into the future. We discovered that a small variation in maternal foraging success amplified into larger changes in offspring body mass and enormous variation in first-year survival and recruitment. Worsening oceanographic conditions could shift predator population trajectories from current growth to sharp declines. As ocean integrators, wide-ranging predators could reveal impacts of future anthropogenic change on open ocean ecosystems.
{"title":"Elephant seals as ecosystem sentinels for the northeast Pacific Ocean twilight zone","authors":"Roxanne S. Beltran,&nbsp;Allison R. Payne,&nbsp;A. Marm Kilpatrick,&nbsp;Conner M. Hale,&nbsp;Madison Reed,&nbsp;Elliott L. Hazen,&nbsp;Steven J. Bograd,&nbsp;Joffrey Jouma’a,&nbsp;Patrick W. Robinson,&nbsp;Emma Houle,&nbsp;Wade Matern,&nbsp;Alea Sabah,&nbsp;Kathryn Lewis,&nbsp;Samantha Sebandal,&nbsp;Allison Coughlin,&nbsp;Natalia Valdes Heredia,&nbsp;Francesca Penny,&nbsp;Sophie Rose Dalrymple,&nbsp;Heather Penny,&nbsp;Meghan Sherrier,&nbsp;Ben Peterson,&nbsp;Joanne Reiter,&nbsp;Burney J. Le Boeuf,&nbsp;Daniel P. Costa","doi":"","DOIUrl":"","url":null,"abstract":"<div >The open ocean twilight zone holds most of the global fish biomass but is poorly understood owing to difficulties of measuring subsurface ecosystem processes at scale. We demonstrate that a wide-ranging carnivore—the northern elephant seal—can serve as an ecosystem sentinel for the twilight zone. We link ocean basin–scale foraging success with oceanographic indices to estimate twilight zone fish abundance five decades into the past, and into the future. We discovered that a small variation in maternal foraging success amplified into larger changes in offspring body mass and enormous variation in first-year survival and recruitment. Worsening oceanographic conditions could shift predator population trajectories from current growth to sharp declines. As ocean integrators, wide-ranging predators could reveal impacts of future anthropogenic change on open ocean ecosystems.</div>","PeriodicalId":21678,"journal":{"name":"Science","volume":"387 6735","pages":""},"PeriodicalIF":44.7,"publicationDate":"2025-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.science.org/doi/reader/10.1126/science.adp2244","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143404278","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Engineering grain boundaries in monolayer molybdenum disulfide for efficient water-ion separation
IF 44.7 1区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2025-02-13
Jie Shen, Areej Aljarb, Yichen Cai, Xing Liu, Jiacheng Min, Yingge Wang, Qingxiao Wang, Chenhui Zhang, Cailing Chen, Mariam Hakami, Jui-Han Fu, Hui Zhang, Guanxing Li, Xiaoqian Wang, Zhuo Chen, Jiaqiang Li, Xinglong Dong, Kaimin Shih, Kuo-Wei Huang, Vincent Tung, Guosheng Shi, Ingo Pinnau, Lain-Jong Li, Yu Han
Two-dimensional (2D) materials have long been considered as ideal platforms for developing separation membranes. However, it is difficult to generate uniform subnanometer pores over large areas on 2D materials. We report that the well-defined eight-membered ring (8-MR) pores, typically formed at the boundaries of two antiparallel grains of monolayer molybdenum disulfide (MoS2), can serve as molecular sieves for efficient water-ion separation. The density of grain boundaries and, consequently, the number of 8-MR pores can be tuned by regulating the grain size. Optimized MoS2 membranes outperformed the state-of-the-art membranes in forward osmosis tests by demonstrating both ultrahigh water/sodium chloride selectivity and exceptional water permeance. Creating precise pore structures on atomically thin films through grain boundary engineering presents a promising route for producing membranes suitable for various applications.
{"title":"Engineering grain boundaries in monolayer molybdenum disulfide for efficient water-ion separation","authors":"Jie Shen,&nbsp;Areej Aljarb,&nbsp;Yichen Cai,&nbsp;Xing Liu,&nbsp;Jiacheng Min,&nbsp;Yingge Wang,&nbsp;Qingxiao Wang,&nbsp;Chenhui Zhang,&nbsp;Cailing Chen,&nbsp;Mariam Hakami,&nbsp;Jui-Han Fu,&nbsp;Hui Zhang,&nbsp;Guanxing Li,&nbsp;Xiaoqian Wang,&nbsp;Zhuo Chen,&nbsp;Jiaqiang Li,&nbsp;Xinglong Dong,&nbsp;Kaimin Shih,&nbsp;Kuo-Wei Huang,&nbsp;Vincent Tung,&nbsp;Guosheng Shi,&nbsp;Ingo Pinnau,&nbsp;Lain-Jong Li,&nbsp;Yu Han","doi":"","DOIUrl":"","url":null,"abstract":"<div >Two-dimensional (2D) materials have long been considered as ideal platforms for developing separation membranes. However, it is difficult to generate uniform subnanometer pores over large areas on 2D materials. We report that the well-defined eight-membered ring (8-MR) pores, typically formed at the boundaries of two antiparallel grains of monolayer molybdenum disulfide (MoS<sub>2</sub>), can serve as molecular sieves for efficient water-ion separation. The density of grain boundaries and, consequently, the number of 8-MR pores can be tuned by regulating the grain size. Optimized MoS<sub>2</sub> membranes outperformed the state-of-the-art membranes in forward osmosis tests by demonstrating both ultrahigh water/sodium chloride selectivity and exceptional water permeance. Creating precise pore structures on atomically thin films through grain boundary engineering presents a promising route for producing membranes suitable for various applications.</div>","PeriodicalId":21678,"journal":{"name":"Science","volume":"387 6735","pages":""},"PeriodicalIF":44.7,"publicationDate":"2025-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143404285","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Thrifting iridium for hydrogen
IF 44.7 1区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2025-02-13
Andrew D. Pendergast, Shannon W. Boettcher
Using renewable electricity to produce hydrogen fuel reduces reliance on fossil fuels. Proton exchange membrane water electrolyzers (PEMWEs) are the highest-performing commercialized technology (1). These devices split water into oxygen gas and hydrogen ions (protons) at the anode. The protons then migrate through an ion-conducting polymer membrane (ionomer) to be reduced to hydrogen gas at the cathode. The anode reaction’s harsh environment requires the use of precious-metal catalysts, such as iridium oxide (IrOx). Given the expense and scarcity, the design of electrodes that minimize the use of precious metals without compromising the requisite stability and activity is desired for large-scale hydrogen production (2, 3). On page 791 of this issue, Shi et al. (4) report that anchoring IrOx catalysts onto porous cerium-oxide (CeOx) supports maintains performance even with much reduced precious metal use.
{"title":"Thrifting iridium for hydrogen","authors":"Andrew D. Pendergast,&nbsp;Shannon W. Boettcher","doi":"","DOIUrl":"","url":null,"abstract":"<div >Using renewable electricity to produce hydrogen fuel reduces reliance on fossil fuels. Proton exchange membrane water electrolyzers (PEMWEs) are the highest-performing commercialized technology (<i>1</i>). These devices split water into oxygen gas and hydrogen ions (protons) at the anode. The protons then migrate through an ion-conducting polymer membrane (ionomer) to be reduced to hydrogen gas at the cathode. The anode reaction’s harsh environment requires the use of precious-metal catalysts, such as iridium oxide (IrO<i><sub>x</sub></i>). Given the expense and scarcity, the design of electrodes that minimize the use of precious metals without compromising the requisite stability and activity is desired for large-scale hydrogen production (<i>2</i>, <i>3</i>). On page 791 of this issue, Shi <i>et al.</i> (<i>4</i>) report that anchoring IrO<i><sub>x</sub></i> catalysts onto porous cerium-oxide (CeO<i><sub>x</sub></i>) supports maintains performance even with much reduced precious metal use.</div>","PeriodicalId":21678,"journal":{"name":"Science","volume":"387 6735","pages":""},"PeriodicalIF":44.7,"publicationDate":"2025-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143404291","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Computational design of serine hydrolases
IF 56.9 1区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2025-02-13 DOI: 10.1126/science.adu2454
Anna Lauko, Samuel J. Pellock, Kiera H. Sumida, Ivan Anishchenko, David Juergens, Woody Ahern, Jihun Jeung, Alex Shida, Andrew Hunt, Indrek Kalvet, Christoffer Norn, Ian R. Humphreys, Cooper Jamieson, Rohith Krishna, Yakov Kipnis, Alex Kang, Evans Brackenbrough, Asim K. Bera, Banumathi Sankaran, K. N. Houk, David Baker
The design of enzymes with complex active sites that mediate multistep reactions remains an outstanding challenge. With serine hydrolases as a model system, we combined the generative capabilities of RFdiffusion with an ensemble generation method for assessing active site preorganization to design enzymes starting from minimal active site descriptions. Experimental characterization revealed catalytic efficiencies ( k cat / K m ) up to 2.2x10 5 M −1 s −1 and crystal structures that closely match the design models (Cα RMSDs < 1 Å). Selection for structural compatibility across the reaction coordinate enabled identification of new catalysts in low-throughput screens with five different folds distinct from those of natural serine hydrolases. Our de novo approach provides insight into the geometric basis of catalysis and a roadmap for designing enzymes that catalyze multistep transformations.
{"title":"Computational design of serine hydrolases","authors":"Anna Lauko, Samuel J. Pellock, Kiera H. Sumida, Ivan Anishchenko, David Juergens, Woody Ahern, Jihun Jeung, Alex Shida, Andrew Hunt, Indrek Kalvet, Christoffer Norn, Ian R. Humphreys, Cooper Jamieson, Rohith Krishna, Yakov Kipnis, Alex Kang, Evans Brackenbrough, Asim K. Bera, Banumathi Sankaran, K. N. Houk, David Baker","doi":"10.1126/science.adu2454","DOIUrl":"https://doi.org/10.1126/science.adu2454","url":null,"abstract":"The design of enzymes with complex active sites that mediate multistep reactions remains an outstanding challenge. With serine hydrolases as a model system, we combined the generative capabilities of RFdiffusion with an ensemble generation method for assessing active site preorganization to design enzymes starting from minimal active site descriptions. Experimental characterization revealed catalytic efficiencies ( <jats:italic> k <jats:sub>cat</jats:sub> </jats:italic> / <jats:italic> K <jats:sub>m</jats:sub> </jats:italic> ) up to 2.2x10 <jats:sup>5</jats:sup> M <jats:sup>−1</jats:sup> s <jats:sup>−1</jats:sup> and crystal structures that closely match the design models (Cα RMSDs &lt; 1 Å). Selection for structural compatibility across the reaction coordinate enabled identification of new catalysts in low-throughput screens with five different folds distinct from those of natural serine hydrolases. Our de novo approach provides insight into the geometric basis of catalysis and a roadmap for designing enzymes that catalyze multistep transformations.","PeriodicalId":21678,"journal":{"name":"Science","volume":"30 1","pages":""},"PeriodicalIF":56.9,"publicationDate":"2025-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143402020","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Drylands under pressure: Science and solutions for global stability
IF 44.7 1区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2025-02-13
Ismahane Elouafi
{"title":"Drylands under pressure: Science and solutions for global stability","authors":"Ismahane Elouafi","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":21678,"journal":{"name":"Science","volume":"387 6735","pages":""},"PeriodicalIF":44.7,"publicationDate":"2025-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143404833","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Breaking the silence
IF 44.7 1区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2025-02-13
H. Holden Thorp, Meagan Phelan
{"title":"Breaking the silence","authors":"H. Holden Thorp,&nbsp;Meagan Phelan","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":21678,"journal":{"name":"Science","volume":"387 6735","pages":""},"PeriodicalIF":44.7,"publicationDate":"2025-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.science.org/doi/reader/10.1126/science.adw5838","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143404281","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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