@article{21721, abstract = {Swimming bacteria move through a fluid by actuating their moving body parts. They are force-free and can be described as hydrodynamic force dipoles: pushers or pullers. This modelling description is broadly used in biological physics and active matter research, and it has successfully predicted, for example, the superfluid behaviour of suspensions of pushers or the bend instability and emergence of turbulent flows in active nematics. However, this description accounts only for the translational motion of the swimming body and neglects the effects of hydrodynamic torque dipoles, which are relevant to bacteria with rotary motor-driven flagella, such as swimming Escherichia coli. Here we show that the torque dipole of confined swimming E. coli can power the persistent rotation of symmetric discs. The torque dipole leads to a traction force on the discs, an additive mechanism that is both contactless and independent of the orientation of the bacteria. Our results indicate that the torque dipole of swimming E. coli is notable in confined geometries, which is relevant to bacterial transport through porous materials, biofilms and the development of chiral fluids.}, author = {Grober, Daniel B and Dhar, Tanumoy and Saintillan, David and Palacci, Jérémie A}, issn = {1745-2481}, journal = {Nature Physics}, pages = {620--627}, publisher = {Springer Nature}, title = {{The hydrodynamic torque dipole from rotary bacterial flagella powers symmetric discs}}, doi = {10.1038/s41567-026-03189-4}, volume = {22}, year = {2026}, } @article{21716, abstract = {Male germline development in plants is highly sensitive to heat stress, with elevated temperatures frequently impairing male fertility and consequently reducing seed production. Indeed, recent global warming has decreased major crop yields, emphasizing the urgent need to elucidate the molecular and cellular mechanisms underlying heat-induced male sterility. This review synthesizes current knowledge on how heat stress disrupts microsporogenesis and microgametogenesis, and how plants counteract these stresses through diverse thermotolerance mechanisms. We emphasize temperature-sensitive processes, including meiotic progression in male germ cells, programmed cell death of somatic tapetal nurse cells, and post-meiotic pollen tube development. We further discuss how epigenetic regulators enhance thermotolerance by reprogramming DNA methylation landscapes and modulating histone variant distribution. Finally, we propose future directions aimed at understanding the mechanisms of reproductive thermotolerance from the epigenetic perspective.}, author = {Nagai, Hiroki and Feng, Xiaoqi}, issn = {1879-0356}, journal = {Current Opinion in Plant Biology}, number = {6}, publisher = {Elsevier}, title = {{Genetic and epigenetic mechanisms underlying male reproductive thermotolerance}}, doi = {10.1016/j.pbi.2026.102881}, volume = {91}, year = {2026}, } @article{21726, abstract = {Quantum control of the many-body wavefunction is a central challenge in quantum materials research, as it could yield a precise control knob to manipulate emergent phenomena. Floquet engineering, the coherent dressing of quantum states with periodic non-resonant optical fields, has become an important strategy for quantum control. Most applications to solid-state systems have targeted weakly interacting or single-ion states, leaving the manipulation of many-body wavefunctions largely unexplored. Here we use Floquet engineering to achieve quantum control of a strongly correlated Hubbard exciton in the one-dimensional Mott insulator Sr2CuO3. A non-resonant mid-infrared optical field coherently dresses the exciton wavefunction, driving its rotation between bright and dark states. We use resonant third-harmonic generation to quantify ultrafast π/2 rotations on the Bloch sphere spanned by these exciton states. Our work advances the quest towards programmable control of correlated states and exciton-based quantum sensing.}, author = {Baykusheva, Denitsa Rangelova and Carmichael, Deven and Weber, Clara S. and Lu, I. Te and Glerean, Filippo and Meng, Tepie and De Oliveira, Pedro B.M. and Homes, Christopher C. and Zaliznyak, Igor A. and Gu, G. D. and Dean, Mark P.M. and Rubio, Angel and Kennes, Dante M. and Claassen, Martin and Mitrano, Matteo}, issn = {1476-4660}, journal = {Nature Materials}, pages = {937--943}, publisher = {Springer Nature}, title = {{Quantum control of Hubbard excitons}}, doi = {10.1038/s41563-026-02517-6}, volume = {25}, year = {2026}, } @article{21730, abstract = {Hydrogen peroxide (H2O2) is a crucial member of the reactive oxygen species (ROS) family, playing roles in cellular signalling and immune responses in human health. Moreover, it is a potential biomarker of diabetes when present in aberrant concentrations. Therefore, monitoring trace levels of H2O2 has become a research hotspot for analytical and sensor chemists. In this context, we report a rhodamine-based fluorescent probe (RN), which shows excellent fluorescent enhancement at 555 nm upon the addition of H2O2 along with a low limit of detection (LOD) of 0.67 ppm and fast response (∼2 min). The probe is highly selective for H2O2, showing no fluorescence enhancement with other ROS. RN is synthesised in a one-pot chemical reaction using rhodamine 6G (R6G) and 4,7,10-trioxa-1,13-tridecanediamine (TTDA). H2O2 detection in pre-treated milk samples proves its real-world viability. We found that RN shows low cytotoxicity, which allowed us to successfully explore its potential to monitor H2O2 generation in a diabetic L929 skin cell line and diabetic mice liver tissue. This result demonstrates promising features for assessing early diabetic progression through fluorescence imaging.}, author = {Mondal, Moumita and Ghorai, Pravat and Samadder, Asmita and Freunberger, Stefan Alexander and Banerjee, Priyabrata}, issn = {2050-7518}, journal = {Journal of Materials Chemistry B}, number = {17}, pages = {5314--5322}, publisher = {Royal Society of Chemistry}, title = {{H2O2 responsive rhodamine-based probe for monitoring early-stage diabetes diagnosis}}, doi = {10.1039/d5tb02687c}, volume = {14}, year = {2026}, } @phdthesis{21854, abstract = {As neural-network-based models grow both in size and popularity, interest has grown in making the models smaller and more efficient to train. To that end, many methods have been proposed to prune models by reducing their number of nonzero parameters. Additionally, parameter-efficient fine-tuning, in which a much smaller number of parameters than the total contained in the model is updated during training, has become very popular, especially in the space of Large Language Models. At the same time, the increasingly routine deployment of machine learning in real-world applications has spurred a drive to make them more trustworthy - in the sense of, among other things, being unbiased, interpretable, and editable. In this thesis, we examine the interplay between efficiency and trustworthiness. First, we analyze the effects of model pruning on bias in computer vision models, demonstrating that increased sparsity leads to greater bias, largely as a function of increased model uncertainty in marginal cases. Based on this observation, we propose several bias mitigation techniques. Then, we demonstrate that example-specific model pruning can improve model interpretation methods while improving pruning efficiency to make example-specific model pruning feasible in real time. Then, we investigate the effectiveness of parameter-efficient and data-efficient model personalization via fine-tuning, demonstrating that it is highly feasible with very small computational and data resources. Finally, we consider efficiency in editing model knowledge using a custom synthetic data framework, demonstrating that parameter-efficient, low-rank fine-tuning frequently outperforms full-rank fine-tuning, and, additionally, that restricting which model blocks are fine-tuned frequently improves results. Together, the results in this thesis provide new insights and techniques for combining trustworthiness and efficiency during neural network inference and training. }, author = {Iofinova, Eugenia B}, issn = {2663-337X}, pages = {237}, publisher = {Institute of Science and Technology Austria}, title = {{On the utility and effects of efficiency in artificial neural networks}}, doi = {10.15479/AT-ISTA-21854}, year = {2026}, } @misc{21857, abstract = {The availability of powerful open-source large language models (LLMs) opens exciting use cases, such as using personal data to fine-tune these models to imitate a user’s unique writing style. Two key requirements for this functionality are personalization–in the sense that the output should recognizably reflect the user’s own writing style—and privacy–users may justifiably be wary of uploading extremely personal data, such as their email archive, to a third-party service. In this paper, we demonstrate the feasibility of training and running such an assistant, which we call Panza, on commodity hardware, for the specific use case of email generation. Panza’s personalization features are based on a combination of parameter-efficient fine-tuning using a variant of the Reverse Instructions technique [1] and Retrieval-Augmented Generation (RAG) [2]. We demonstrate that this combination allows us to fine-tune an LLM to reflect a user’s writing style using limited data, while executing on extremely limited resources, e.g. on a free Google Colab instance. Our key methodological contribution is the first detailed study of evaluation metrics for this task, and of how different choices of system components–the use of RAG and of different fine-tuning approaches–impact the system’s performance. Additionally, we demonstrate that very little data - under 100 email samples - are sufficient to create models that convincingly imitate humans, showcasing a previously unknown attack vector in language models. We are releasing the full Panza code as well as three new email datasets licensed for research use.}, author = {Nicolicioiu, Armand and Iofinova, Eugenia B and Jovanovic, Andrej and Kurtic, Eldar and Nikdan, Mahdi and Panferov, Andrei and Markov, Ilia and Shavit, Nir and Alistarh, Dan-Adrian}, booktitle = {Third Conference on Parsimony and Learning (Proceedings Track)}, keywords = {LLMs, PEFT, LoRA, personalization, efficient ML}, location = {Tübíngen, Germany}, publisher = {OpenReview}, title = {{Panza: Investigating the feasibility of fully-local personalized text generation}}, year = {2026}, } @unpublished{21859, abstract = {As artificial neural networks, and specifically large language models, have improved rapidly in capabilities and quality, they have increasingly been deployed in real-world applications, from customer service to Google search, despite the fact that they frequently make factually incorrect or undesirable statements. This trend has inspired practical and academic interest in model editing, that is, in adjusting the weights of the model to modify its likely outputs for queries relating to a specific fact or set of facts. This may be done either to amend a fact or set of facts, for instance, to fix a frequent error in the training data, or to suppress a fact or set of facts entirely, for instance, in case of dangerous knowledge. Multiple methods have been proposed to do such edits. However, at the same time, it has been shown that such model editing can be brittle and incomplete. Moreover the effectiveness of any model editing method necessarily depends on the data on which the model is trained, and, therefore, a good understanding of the interaction of the training data distribution and the way it is stored in the network is necessary and helpful to reliably perform model editing. However, working with large language models trained on real-world data does not allow us to understand this relationship or fully measure the effects of model editing. We therefore propose Behemoth, a fully synthetic data generation framework. To demonstrate the practical insights from the framework, we explore model editing in the context of simple tabular data, demonstrating surprising findings that, in some cases, echo real-world results, for instance, that in some cases restricting the update rank results in a more effective update.}, author = {Iofinova, Eugenia B and Alistarh, Dan-Adrian}, booktitle = {arXiv}, title = {{Behemoth: Benchmarking unlearning in LLMs using fully synthetic data}}, doi = {10.48550/arXiv.2601.23153}, year = {2026}, } @misc{21422, author = {Sunko, Veronika}, publisher = {Institute of Science and Technology Austria}, title = {{Data underpinning "Magneto-optical Kerr effect in an A-type antiferromagnet"}}, doi = {10.15479/AT-ISTA-21422}, year = {2026}, } @article{21759, abstract = {Promoters and enhancers are cis-regulatory elements (CREs), DNA sequences that bind transcription factor (TF) proteins to up- or down-regulate target genes. Decades-long efforts yielded TF-DNA interaction models that predict how strongly an individual TF binds arbitrary DNA sequences and how individual binding events on the CRE combine to affect gene expression. These insights can be synthesized into a global, biophysically realistic, and quantitative genotype-phenotype (GP) map for gene regulation, a ‘holy grail’ for the application of evolutionary theory. A global map provides a rare opportunity to simulate the long-term evolution of regulatory sequences and pose several fundamental questions: How long does it take to evolve CREs de novo? How many non-trivial regulatory functions exist in sequence space? How connected are they? For which regulatory architecture is CRE evolution most rapid and evolvable? In this article, the second of a two-part series, we review the application of evolutionary concepts — epistasis, robustness, evolvability, tunability, plasticity, and bet-hedging — to the evolution of gene regulatory sequences. We then evaluate the potential for a unifying theory for the evolution of regulatory sequences and identify key open challenges.}, author = {Mascolo, Elia and Körei, Reka E and Borst, Noa O. and Barton, Nicholas H and Crocker, Justin and Tkačik, Gašper}, issn = {1879-0380}, journal = {Current Opinion in Genetics and Development}, publisher = {Elsevier}, title = {{Long-term evolution of regulatory DNA sequences. Part 2: Theory and future challenges}}, doi = {10.1016/j.gde.2026.102472}, volume = {98}, year = {2026}, } @article{21849, abstract = {The development of complex tissues relies on the precise assignment of cell identity. At the molecular scale, this process depends on the deposition of epigenetic modifications—such as methylation—that are regulated by complex biochemical networks and occur at specific regions on the DNA and chromatin. Here we show that despite the complexity of epigenetic regulation, dynamical scaling and self-similarity of DNA methylation marks emerge in embryonic development. Drawing on single-cell multi-omics experiments, super-resolution microscopy and statistical physics, we demonstrate that these phenomena originate in dynamical feedback between DNA methylation and the formation of nanoscale dynamic chromatin aggregates. These nanoscale processes lead to genome-wide increase in DNA methylation marks following a power law and self-similar correlation functions. Using this framework, we identify methylation patterns that precede gene expression changes in embryonic symmetry breaking. Our work identifies linear sequencing measurements as a laboratory to study mesoscopic biophysical processes in vivo.}, author = {Olmeda, Fabrizio and Lohoff, Tim and Kafetzopoulos, Ioannis and Clark, Stephen J. and Benson, Laura and Santos, Fatima and Krueger, Felix and Walker, Simon and Reik, Wolf and Rulands, Steffen}, issn = {1745-2481}, journal = {Nature Physics}, pages = {931--940}, publisher = {Springer Nature}, title = {{Scaling and self-similarity in the formation of the embryonic epigenome}}, doi = {10.1038/s41567-026-03263-x}, volume = {22}, year = {2026}, } @article{21883, abstract = {Three-dimensional (3D) printing has rapidly developed from a niche hobbyist activity into a widely accessible and indispensable technology across multiple scientific disciplines. Within microscopy, optical engineering laboratories and imaging core facilities, 3D printing enables creating customised solutions for sample holders, optical components and everyday laboratory tools that traditionally required specialised machining. By providing rapid prototyping, low-cost production and reproducibility, 3D printing facilitates innovation and efficiency in facility operations. This article provides a perspective on the possibilities, challenges, and practical aspects of implementing 3D printing within microscopy core facilities. Instead of providing technical review about 3D printing, we focus on service organisation, user engagement, resource management and community-driven repositories for design dissemination. Our aim is to share insights with those considering the implementation of 3D printing as a service for developing add-on components to ease the operation of different aspects of the machine-park driven services and those who are managing advanced instrumentation within research groups.}, author = {Goudarzi, Mohammad and Schuster, Maximilian and Milberger, Arthur and Gunkel, Manuel and Terjung, Stefan and Krens, Gabriel}, issn = {1365-2818}, journal = {Journal of Microscopy}, number = {3}, pages = {382--395}, publisher = {Wiley}, title = {{3D printing in core facilities – Low pain, high gain}}, doi = {10.1111/jmi.70106}, volume = {302}, year = {2026}, } @article{21872, abstract = {Magneto-optic Kerr effect (MOKE) is a powerful probe of broken time-reversal symmetry (T), typically used to study ferromagnets. While MOKE has been observed in some antiferromagnets (AFMs) with vanishing magnetization, it is often associated with structures whose symmetry is lower than basic collinear, bipartite order. In contrast, theory predicts a mechanism for MOKE intrinsic to all AFMs of A-type, i.e. layered AFMs in which ferromagnetic layers are antiferromagnetically aligned. Here we report the experimental confirmation of this mechanism in a bulk AFM. We achieve this by measuring the imaginary component of MOKE as a function of photon energy in MnBi2Te4, an A-type AFM where T is preserved in combination with a translation, and comparing the experimental results with model calculations. Our model suggests that observable MOKE should be expected in all collinear A-type AFMs with out-of-plane spin order, thus enabling optical detection of AFM domains and expanding the scope of MOKE to few-layer AFMs.}, author = {Sunko, Veronika and Ahsanullah, Salman and Jain, Vivek and Weber, Sophie and Kumaran, Sivaloganathan and Yan, Jiaqiang and Orenstein, Joseph and Ovchinnikov, Dmitry}, issn = {2041-1723}, journal = {Nature Communications}, publisher = {Springer Nature}, title = {{Magneto-optical Kerr effect in an A-type antiferromagnet}}, doi = {10.1038/s41467-026-72577-4}, volume = {17}, year = {2026}, } @article{21950, abstract = {One Health initiatives are modern paradigms for research and health care practices in various fields. Concrete definitions of the One Health framework, however, remain heterogeneous, leading to conceptual problems and uncertainties in the application of the framework. This article discusses several approaches to the One Health concept, and their associated consequences, with special focus on animal experimentation. The first issue addressed is how One Health should be defined, as well as what (and who) should be considered within a One Health approach. In order to shed further light on this, we explore the history of animals in biomedical science, highlighting historical milestones in the use of animal models, as well as the development and current state of ethical considerations in the field of animal experimentation. The second issue comes with the inclusion of animal experimentation per se as part of the One Health concept. Therefore, particular attention is paid to bioethical principles and the resulting problems that can arise when applying them to the One Health concept. Arguments such as the idea of inequality between humans and non-human animals, and the premise that all actions are done for the benefit of humans, are raised and then used to explore the question of whether the One Health concept is compatible with existing bioethical principles. Based on the bioethical principles of protecting the environment, the biodiversity and biosphere, this paper seeks an inclusive perspective of the One Health concept. Successful solutions will be based on this concept, which embraces all living beings. The authors conclude that a multispecies ethics approach could help create a more ethical ecosystem that is aligned with the wellbeing of all life on a shared planet.}, author = {Ulman, Yesim Isil and Kostomitsopoulos, Nikos and Camenzind, Samuel and Kitsara, Maria and Pavone, Ilja Richard and Schober, Sophie}, issn = {2632-3559}, journal = {Alternatives to Laboratory Animals}, number = {4}, pages = {226--235}, publisher = {SAGE Publications}, title = {{Emerging bioethical conflicts: One Health and animal experimentation}}, doi = {10.1177/02611929261453330}, volume = {54}, year = {2026}, } @article{21900, abstract = {Individually silencing 125 fruit fly genes reveals opposing fitness effects of mutations between females and males, as well as between germline and somatic tissues.}, author = {Ruzicka, Filip}, issn = {2397-334X}, journal = {Nature Ecology & Evolution}, pages = {1035--1036}, publisher = {Springer Nature}, title = {{Reverse genetics of sexual antagonism}}, doi = {10.1038/s41559-026-03036-y}, volume = {10}, year = {2026}, } @phdthesis{21957, abstract = {This thesis investigates algorithmic certification and approximation methods for degenerate semidefinite programs (SDPs) and the singular roots of polynomial systems. In the first part, we present a hybrid symbolic-numeric algorithm for certifying the feasibility of weakly feasible, degenerate SDPs. By reformulating linear matrix inequalities (LMIs) into a structured polynomial system via facial reduction and incidence varieties, we guarantee the existence of an isolated exact solution. This algebraic reduction enables the certification of maximum-rank numerical approximations using methods from algebraic geometry. In the second part, we address the severe ill-conditioning and loss of quadratic convergence that plague standard path-tracking methods near isolated singular roots. To overcome this, we propose tracking algorithms that achieve superlinear convergence without the computational bloat characteristic of classical deflation techniques. By modeling the solution path as a generalized fractional Puiseux series, our approach combines an explicitly derived algebraic predictor with a localized hyperplane desingularization phase during the corrector step. Furthermore, we introduce a continuous path-limit method and an extension of the geometric sequence rule to directly extract exact fractional exponents. This bypasses traditional heuristic trial-and-error methods and explicitly accommodates sparse series expansions. Numerical experiments confirm that our method significantly reduces the cumulative number of matrix inversions while achieving high-accuracy root approximations, even for heavily degenerate systems exhibiting higher coranks.}, author = {Zapata, Jeferson}, isbn = {978-3-99078-079-4}, issn = {2663-337X}, pages = {89}, publisher = {Institute of Science and Technology Austria}, title = {{Overcoming degeneracy and singularity: Techniques for semidefinite programs and homotopy continuation endgames}}, doi = {10.15479/AT-ISTA-21957}, year = {2026}, } @phdthesis{21360, author = {Riegler, Stefan}, issn = {2663-337X}, pages = {185}, publisher = {Institute of Science and Technology Austria}, title = {{Root system plasticity under nutrient limitation: Investigating hormonal and molecular drivers in Arabidopsis thaliana and Coffea species}}, doi = {10.15479/AT-ISTA-21360}, year = {2026}, } @misc{21363, abstract = {The data contains information on coffee differential gene expression as well as co-expression and trait correlations in two separate experiments. First, contrasting nitrogen supply, second, intra- and interspecific grafting.}, author = {Riegler, Stefan}, publisher = {Institute of Science and Technology Austria}, title = {{Thesis Data for Root System Plasticity under Nutrient Limitation: Investigating Hormonal and Molecular Drivers in Arabidopsis thaliana and Coffea species}}, doi = {10.15479/AT-ISTA-21363}, year = {2026}, } @phdthesis{22334, abstract = {Characterizing protein dynamics at the atomic level is essential for our understanding of biological mechanisms. Whether it is to facilitate metabolite transport, catalyze reactions, transmit signals, or regulate metabolism – proteins are constantly in motion and sample multiple conformational states to fulfill their function. Nuclear magnetic resonance (NMR) spectroscopy is particularly well suited to elucidate the dynamics of biomolecules on their complex free-energy landscape. In particular, solid-state magic-angle spinning (MAS) NMR enables the study of large molecular assemblies, protein crystals, or insoluble proteins at atomic resolution without an inherent molecular size limitation. MAS NMR experiments to probe protein dynamics are extremely versatile and sensitive to motional timescales from picoseconds to seconds. Over the past decades, technological advances, developments in experimental design, and new isotope-labeling approaches have further expanded the possibilities of this technique and significantly improved the accuracy of the determined motional parameters. Functionally important sites of proteins often contain aromatic residues. Their side-chain motions have therefore long served as valuable indicators of mechanistically relevant dynamics in NMR studies. In this thesis, site-specifically labeled aromatic residues act as sensitive reporters for MAS NMR studies of protein dynamics. The first part addresses how different environments impact side-chain motion by probing ring flips of phenylalanines and tyrosines in crystalline proteins and amyloid fibrils. It provides important insights for the analysis of dynamics obtained in non-native protein environments and emphasizes the complex factors that determine the timescale of internal dynamics. In the second part, the focus shifts towards methodological questions regarding the investigation of protein dynamics by 19F MAS NMR. The fluorine nucleus exhibits promising characteristics for NMR studies but also presents significant challenges, which is why the full methodological potential of 19F MAS NMR has not been fully realized yet. This work demonstrates that paramagnetic doping can considerably reduce the measurement time and improve the sensitivity of fluorinated samples. Finally, 19F MAS NMR is evaluated as a tool for studying protein side-chain dynamics on the example of tryptophans. The results illustrate the challenges in analyzing such experiments and lay the foundation for further development of 19F MAS NMR relaxation studies. Taken together, this thesis highlights the potential of combining specific isotope labeling, MAS NMR, and complementary methods such as crystallography and computational simulations to elucidate internal protein dynamics. The further development of such integrative approaches will be crucial to improving our understanding of complex mechanisms and protein function. }, author = {Becker, Lea Marie}, isbn = {978-3-99078-084-8}, issn = {2663-337X}, pages = {205}, publisher = {Institute of Science and Technology Austria}, title = {{Exploring protein dynamics using specific labeling approaches for solid-state MAS NMR}}, doi = {10.15479/AT-ISTA-22334}, year = {2026}, } @article{22105, abstract = {Protein conformational energy landscapes are shaped not only by intramolecular interactions but also by their environment. In protein crystals and protein–protein complexes, intermolecular contacts alter this energy landscape, but the exact nature of this alteration is difficult to decipher. Understanding how the crystal lattice affects protein dynamics is crucial for crystallography-based studies of motion, yet its influence on collective motions remains unclear. Aromatic ring flips in the hydrophobic core represent sensitive probes of such dynamics. Here, we compare the kinetics of aromatic ring flips in the protein GB1 in crystals, in complex with its binding partner IgG, and in solution, combining advanced isotope labelling with quantitative NMR methods. We show that rings in the core flip nearly a thousand times less frequently in crystals than in solution. Enhanced-sampling molecular dynamics simulations, based on a crystal structure of a GB1 variant reported in this work, reproduce these elevated barriers and reveal how the crystal restrains motions.}, author = {Becker, Lea Marie and Fu, Haohao and Tatman, Benjamin and Dreydoppel, Matthias and Kapitonova, Anna and Balazs, Daniel and Weininger, Ulrich and Engilberge, Sylvain and Chipot, Christophe and Schanda, Paul}, issn = {17554349}, journal = {Nature Chemistry}, pages = {1221--1230}, publisher = {Springer Nature}, title = {{Aromatic ring flips reveal reshaping of protein dynamics in crystals and complexes}}, doi = {10.1038/s41557-026-02155-0}, volume = {18}, year = {2026}, } @article{21164, abstract = {Global emission inventories often fail to capture the complexities of vehicular pollution in regions with unique fuel mixes, such as Brazil’s extensive biofuel use, leading to significant uncertainties in atmospheric modeling. This study presents a century-long (1960–2100) bottom-up vehicular emission inventory for Brazil, leveraging locally derived emission factors. Our estimates reveal substantial discrepancies in magnitude, timing, and speciation of non-CO2 pollutants (CO, NMHC, PM2.5) compared to leading global inventories (EDGAR, CEDS, CAMS), highlighting critical inaccuracies in widely used data sets. More critically, future projections under Shared Socioeconomic Pathways (SSPs) uncover a novel positive feedback mechanism: rising temperatures significantly enhance vehicular evaporative nonmethane hydrocarbon (NMHC) emissions. This temperature-dependent increase and subsequent NMHC oxidation to CO2 suggest an overlooked pathway that could amplify climate warming and air pollution globally, particularly after a breakpoint around 2050 (p < 0.05). While historical emissions peaked in the 1990s–2000s, nonexhaust PM becomes increasingly important. Air quality simulations using our inventory in the MUSICA model show good regional PM2.5 agreement but highlight challenges in resolving local primary pollutant peaks. This comprehensive inventory provides crucial data for Brazil and uncovers globally relevant climate–chemistry interactions, urging a re-evaluation of regional specificities in global emission assessments.}, author = {Ibarra-Espinosa, Sergio and Dias de Freitas, Edmilson and Gaubert, Benjamin and Lichtig, Pablo and Ropkins, Karl and da Silva, Iara and Martins Pereira, Guilherme and Schuch, Daniel and Nascimento, Janaina and Hoinaski, Leonardo and Martins, Leila Droprinchinski and Gavidia-Calderón, Mario and Vara-Vela, Angel and Toledo de Almeida Albuquerque, Taciana and Ynoue, Rita Yuri and Diez, Sebastian and Mera, Zamir and Casallas Garcia, Alejandro and Vallejo, Fidel and Diaz, Valeria and Pedruzzi, Rizzieri and Abrutzky, Rosana and Franco, Marco A. and Huneeus, Nicolas and Jorquera, Hector and Belalcázar-Cerón, Luis Carlos and Rojas, Néstor Y. and de Fatima Andrade, Maria and Emmons, Louisa and Brasseur, Guy}, issn = {1520-5851}, journal = {Environmental Science & Technology}, number = {6}, publisher = {American Chemical Society}, title = {{A century of vehicular emissions in Brazil: Unveiling the impacts of unique fuel mix on air quality}}, doi = {10.1021/acs.est.5c08400}, volume = {60}, year = {2026}, }