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Recent Submissions

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Research Data
Mechanisms of fast CO2 fixation reaction by enoyl-CoA carboxylases/reductase
(European Synchrotron Radiation Facility, 2028-01-01) Chretien, Anaïs; Ertem Kuzucu, Fatma Betul; Summers, Jacob; Wranik, Maximilian; 0000-0001-8480-1443; 0000-0002-2144-989x; 0000-0003-3113-0353; 0000-0002-2482-0164
Carbon dioxide (CO2) is an atmospheric greenhouse gas that feeds all life, plays a critical role in global warming, and could constitute an inexpensive carbon source for future sustainable industries. While synthetic chemistry lacks suitable catalysts to functionalize carbon dioxide in mild reaction conditions, autotrophs do it constantly, and thus there is increasing interest in exploiting the CO2-fixation mechanisms offered by nature. In this exchange proposal, we propose fast time-resolved structural-dynamics studies of one of the fastest CO2-fixation enzymes, enoyl-CoA carboxylase/reductase (ECR), using ambient temperature serial X-ray crystallography on Beamline ID29, ESRF, which achieves 10μs resolution. This study will reveal details of the enzyme subunit coupling as well as the enzyme-substrate interactions to correlate the structural and functional states of the enzyme during fixation and pave the way for faster biomolecule productions using engineered C-cycling enzymes.
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Research Data
Mechanisms of fast CO2 fixation reaction by enoyl-CoA carboxylases/reductase
(European Synchrotron Radiation Facility, 2027-01-01) Summers, Jacob; Sanctis, Daniele; Vlahakis, Niko; Knight, Victoria; Ertem Kuzucu, Fatma Betul; Chretien, Anaïs; Nurizzo, Didier; 0000-0003-3113-0353; 0000-0003-0391-8290; 0000-0002-5092-0265; 0000-0002-2144-989x; 0000-0001-8480-1443; 0000-0002-7367-5098
Carbon dioxide (CO2) is an atmospheric greenhouse gas that feeds all life, plays a critical role in global warming, and could constitute an inexpensive carbon source for future sustainable industries. While synthetic chemistry lacks suitable catalysts to functionalize carbon dioxide in mild reaction conditions, autotrophs do it constantly, and thus there is increasing interest in exploiting the CO2-fixation mechanisms offered by nature. In this exchange proposal, we propose fast time-resolved structural-dynamics studies of one of the fastest CO2-fixation enzymes, enoyl-CoA carboxylase/reductase (ECR), using ambient temperature serial X-ray crystallography on Beamline ID29, ESRF, which achieves 10μs resolution. This study will reveal details of the enzyme subunit coupling as well as the enzyme-substrate interactions to correlate the structural and functional states of the enzyme during fixation and pave the way for faster biomolecule productions using engineered C-cycling enzymes.
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Research Data
Replication materials for: When polarization meets backsliding: Affective polarization and support for undemocratic practices in Turkey
(Koç University, 2026) Irmak, Seda; Karakoç, Büşra Söylemez; Aytaç, Selim Erdem
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PublicationOpen Access
ReDD-COFFEE under the lens: revealing adsorption and separation performances of hypothetical COFs using molecular simulations and machine learning
(American Chemical Society, 2026) Keskin, Seda; Aksu, Gökhan Önder; Gülbalkan, Hasan Can; Özyurt, Hilal; Department of Chemical and Biological Engineering; Yes; College of Engineering
In this work, we performed a high-throughput computational screening approach combining Grand Canonical Monte Carlo (GCMC) simulations and machine learning (ML) to unlock the potential of the ReDD-COFFEE (Ready-to-use and Diverse Database of Covalent Organic Frameworks with Force field-based Energy Evaluation) database for gas adsorption and separation applications. Molecular simulations were first employed to assess CO2, CH4, H-2, N-2 and O-2 uptakes of acylhydrazone-, azine-, and triazine-based hypothetical COFs (hypoCOFs). These data were then leveraged to train ML models capable of predicting adsorption properties for nearly 25000 different types of materials. Adsorption selectivities of ReDD-hypoCOFs were computed for six important gas separations: CO2/CH4, CO2/H-2, CO2/N-2, CH4/H-2, CH4/N-2, and O-2/N-2. Structure-performance analyses performed using molecular fingerprinting on top-selective materials demonstrated that nitrogen enriched aromatic rings and fluorinated linkers in addition to narrow pores (<10 & Aring;) and low porosities (<0.7) collectively strengthen the CO2 affinity of ReDD-hypoCOFs.
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PublicationOpen Access
When polarization meets backsliding: affective polarization and support for undemocratic practices in Turkey
(Taylor and Francis, 2026) Irmak, Seda; Aytaç, Selim Erdem; Karakoç, Büşra Söylemez; Department of International Relations; Yes; College of Administrative Sciences and Economics
While the corrosive effect of affective polarization on democratic norms is a major concern, existing research has largely overlooked its dynamics outside established democracies. This study addresses this gap by examining Turkey, a paradigmatic, highly polarized hybrid regime where democratic norms are actively contested. Drawing on original, nationally representative survey data from spring 2024, we investigate how affective polarization shapes citizens’ willingness to endorse concrete violations of electoral fairness and civil liberties, moving beyond abstract measures of democratic support. We find that higher levels of affective polarization are strongly associated with greater endorsement of undemocratic practices motivated by both out-party discrimination and in-party favouritism, though the association is somewhat stronger for the latter. This relationship holds among both government and opposition supporters, challenging the assumption that tolerance for such practices is unique to incumbent partisans. Contrary to recent evidence from Western democracies, we find no curvilinear relationship: affective polarization in Turkey consistently predicts greater tolerance of democratic violations. By analysing a case of sustained democratic backsliding, we extend debates on affective polarization beyond consolidated democracies, showing how it can create a permissive environment for illiberal practices and undermine citizen commitment to democratic norms.