@article{13093, abstract = {The direct, solid state, and reversible conversion between heat and electricity using thermoelectric devices finds numerous potential uses, especially around room temperature. However, the relatively high material processing cost limits their real applications. Silver selenide (Ag2Se) is one of the very few n-type thermoelectric (TE) materials for room-temperature applications. Herein, we report a room temperature, fast, and aqueous-phase synthesis approach to produce Ag2Se, which can be extended to other metal chalcogenides. These materials reach TE figures of merit (zT) of up to 0.76 at 380 K. To improve these values, bismuth sulfide (Bi2S3) particles also prepared in an aqueous solution are incorporated into the Ag2Se matrix. In this way, a series of Ag2Se/Bi2S3 composites with Bi2S3 wt % of 0.5, 1.0, and 1.5 are prepared by solution blending and hot-press sintering. The presence of Bi2S3 significantly improves the Seebeck coefficient and power factor while at the same time decreasing the thermal conductivity with no apparent drop in electrical conductivity. Thus, a maximum zT value of 0.96 is achieved in the composites with 1.0 wt % Bi2S3 at 370 K. Furthermore, a high average zT value (zTave) of 0.93 in the 300–390 K range is demonstrated.}, author = {Nan, Bingfei and Li, Mengyao and Zhang, Yu and Xiao, Ke and Lim, Khak Ho and Chang, Cheng and Han, Xu and Zuo, Yong and Li, Junshan and Arbiol, Jordi and Llorca, Jordi and Ibáñez, Maria and Cabot, Andreu}, issn = {2637-6113}, journal = {ACS Applied Electronic Materials}, number = {5}, pages = {2807--215}, publisher = {American Chemical Society}, title = {{Engineering of thermoelectric composites based on silver selenide in aqueous solution and ambient temperature}}, doi = {10.1021/acsaelm.3c00055}, volume = {6}, year = {2024}, } @article{13129, abstract = {We study the representative volume element (RVE) method, which is a method to approximately infer the effective behavior ahom of a stationary random medium. The latter is described by a coefficient field a(x) generated from a given ensemble ⟨⋅⟩ and the corresponding linear elliptic operator −∇⋅a∇. In line with the theory of homogenization, the method proceeds by computing d=3 correctors (d denoting the space dimension). To be numerically tractable, this computation has to be done on a finite domain: the so-called representative volume element, i.e., a large box with, say, periodic boundary conditions. The main message of this article is: Periodize the ensemble instead of its realizations. By this, we mean that it is better to sample from a suitably periodized ensemble than to periodically extend the restriction of a realization a(x) from the whole-space ensemble ⟨⋅⟩. We make this point by investigating the bias (or systematic error), i.e., the difference between ahom and the expected value of the RVE method, in terms of its scaling w.r.t. the lateral size L of the box. In case of periodizing a(x), we heuristically argue that this error is generically O(L−1). In case of a suitable periodization of ⟨⋅⟩ , we rigorously show that it is O(L−d). In fact, we give a characterization of the leading-order error term for both strategies and argue that even in the isotropic case it is generically non-degenerate. We carry out the rigorous analysis in the convenient setting of ensembles ⟨⋅⟩ of Gaussian type, which allow for a straightforward periodization, passing via the (integrable) covariance function. This setting has also the advantage of making the Price theorem and the Malliavin calculus available for optimal stochastic estimates of correctors. We actually need control of second-order correctors to capture the leading-order error term. This is due to inversion symmetry when applying the two-scale expansion to the Green function. As a bonus, we present a stream-lined strategy to estimate the error in a higher-order two-scale expansion of the Green function.}, author = {Clozeau, Nicolas and Josien, Marc and Otto, Felix and Xu, Qiang}, issn = {1615-3383}, journal = {Foundations of Computational Mathematics}, pages = {1305--1387}, publisher = {Springer Nature}, title = {{Bias in the representative volume element method: Periodize the ensemble instead of its realizations}}, doi = {10.1007/s10208-023-09613-y}, volume = {24}, year = {2024}, } @article{13271, abstract = {In this paper, we prove the convexity of trace functionals (A,B,C)↦Tr|BpACq|s, for parameters (p, q, s) that are best possible, where B and C are any n-by-n positive-definite matrices, and A is any n-by-n matrix. We also obtain the monotonicity versions of trace functionals of this type. As applications, we extend some results in Carlen et al. (Linear Algebra Appl 490:174–185, 2016), Hiai and Petz (Publ Res Inst Math Sci 48(3):525-542, 2012) and resolve a conjecture in Al-Rashed and Zegarliński (Infin Dimens Anal Quantum Probab Relat Top 17(4):1450029, 2014) in the matrix setting. Other conjectures in Al-Rashed and Zegarliński (Infin Dimens Anal Quantum Probab Relat Top 17(4):1450029, 2014) will also be discussed. We also show that some related trace functionals are not concave in general. Such concavity results were expected to hold in different problems.}, author = {Zhang, Haonan}, issn = {1424-0637}, journal = {Annales Henri Poincare}, pages = {2087--2106}, publisher = {Springer Nature}, title = {{Some convexity and monotonicity results of trace functionals}}, doi = {10.1007/s00023-023-01345-7}, volume = {25}, year = {2024}, } @article{13318, abstract = {Bohnenblust–Hille inequalities for Boolean cubes have been proven with dimension-free constants that grow subexponentially in the degree (Defant et al. in Math Ann 374(1):653–680, 2019). Such inequalities have found great applications in learning low-degree Boolean functions (Eskenazis and Ivanisvili in Proceedings of the 54th annual ACM SIGACT symposium on theory of computing, pp 203–207, 2022). Motivated by learning quantum observables, a qubit analogue of Bohnenblust–Hille inequality for Boolean cubes was recently conjectured in Rouzé et al. (Quantum Talagrand, KKL and Friedgut’s theorems and the learnability of quantum Boolean functions, 2022. arXiv preprint arXiv:2209.07279). The conjecture was resolved in Huang et al. (Learning to predict arbitrary quantum processes, 2022. arXiv preprint arXiv:2210.14894). In this paper, we give a new proof of these Bohnenblust–Hille inequalities for qubit system with constants that are dimension-free and of exponential growth in the degree. As a consequence, we obtain a junta theorem for low-degree polynomials. Using similar ideas, we also study learning problems of low degree quantum observables and Bohr’s radius phenomenon on quantum Boolean cubes.}, author = {Volberg, Alexander and Zhang, Haonan}, issn = {1432-1807}, journal = {Mathematische Annalen}, pages = {1657--1676}, publisher = {Springer Nature}, title = {{Noncommutative Bohnenblust–Hille inequalities}}, doi = {10.1007/s00208-023-02680-0}, volume = {389}, year = {2024}, } @misc{19800, abstract = {This archive contains all the code and data necessary to reproduce the results presented in the "Mapping the attractor landscape of Boolean networks" paper.}, author = {trinh, Van Giang and Park, Kyu Hyong and Pastva, Samuel and Rozum, Jordan}, publisher = {Zenodo}, title = {{Mapping the attractor landscape of Boolean networks}}, doi = {10.5281/ZENODO.13854759}, year = {2024}, } @article{19809, abstract = {In many physical situations in which many-body assemblies exist at temperature T, a characteristic quantum-mechanical time scale of approximately h/kbT can be identified in both theory and experiment, leading to speculation that it may be the shortest meaningful time in such circumstances. This behavior can be investigated by probing the scattering rate of electrons in a broad class of materials often referred to as “strongly correlated metals”. It is clear that in some cases only electron–electron scattering can be its cause, while in others it arises from high-temperature scattering of electrons from quantized lattice vibrations, i.e., phonons. In metallic oxides, which are among the most studied materials, analysis of electrical transport does not satisfactorily identify the relevant scattering mechanism at “high” temperatures near room temperature. We therefore employ a contactless optical method to measure thermal diffusivity in two Ru-based layered perovskites, Sr3Ru2O7 and Sr2RuO4, and use the measurements to extract the dimensionless Lorenz ratio. By comparing our results to the literature data on both conventional and unconventional metals, we show how the analysis of high-temperature thermal transport can both give important insight into dominant scattering mechanisms and be offered as a stringent test of theories attempting to explain anomalous scattering.}, author = {Sun, Fei and Mishra, Simli and Stockert, Ulrike and Daou, Ramzy and Kikugawa, Naoki and Perry, Robin S. and Hassinger, Elena and Hartnoll, Sean A. and Mackenzie, Andrew P. and Sunko, Veronika}, issn = {1091-6490}, journal = {Proceedings of the National Academy of Sciences}, number = {35}, publisher = {National Academy of Sciences}, title = {{The Lorenz ratio as a guide to scattering contributions to transport in strongly correlated metals}}, doi = {10.1073/pnas.2318159121}, volume = {121}, year = {2024}, } @article{19816, abstract = {Understanding and manipulating emergent phases, which are themes at the forefront of quantum-materials research, rely on identifying their underlying symmetries. This general principle has been particularly prominent in materials with coupled electronic and magnetic degrees of freedom, in which magnetic order influences the electronic band structure and can lead to exotic topological effects. However, identifying symmetry of a magnetically ordered phase can pose a challenge, particularly in the presence of small domains. Here we introduce a multimodal approach for determining magnetic structures, which combines symmetry-sensitive optical probes, scattering, and group-theoretical analysis. We apply it to EuIn2⁢As2, a material that has received attention as a candidate axion insulator. While first-principles calculations predict this state on the assumption of a simple collinear antiferromagnetic structure, subsequent neutron-scattering measurements reveal a much more intricate magnetic ground state characterized by two coexisting magnetic wave vectors reached by successive thermal phase transitions. The proposed high- and low-temperature phases are a spin helix and a state with interpenetrating helical and Néel antiferromagnetic order termed a “broken helix,” respectively. Employing a multimodal approach, we identify the magnetic structure associated with these two phases of EuIn2⁢As2. We find that the higher-temperature phase is characterized by a variation of the magnetic moment amplitude from layer to layer, with the moment vanishing entirely in every third Eu layer. The lower-temperature structure is similar to the broken helix, with one important difference: Because of local strain, the relative orientation of the magnetic structure and the lattice is not fixed. Consequently, the symmetry required to protect the axion phase is not generically protected in EuIn2⁢As2, but we show that it can be restored if the magnetic structure is tuned with uniaxial strain. Finally, we present a spin Hamiltonian that identifies the spin interactions that account for the complex magnetic order in EuIn2⁢As2. Our work highlights the importance of a multimodal approach in determining the symmetry of complex order parameters.}, author = {Donoway, E. and Trevisan, T. V. and Liebman-Peláez, A. and Day, R. P. and Yamakawa, K. and Sun, Y. and Soh, J. R. and Prabhakaran, D. and Boothroyd, A. T. and Fernandes, R. M. and Analytis, J. G. and Moore, J. E. and Orenstein, J. and Sunko, Veronika}, issn = {2160-3308}, journal = {Physical Review X}, number = {3}, publisher = {American Physical Society}, title = {{Multimodal approach reveals the symmetry-breaking pathway to the broken helix in EuIn2As2}}, doi = {10.1103/physrevx.14.031013}, volume = {14}, year = {2024}, } @misc{19884, abstract = {This is Marlin, a Mixed Auto-Regressive Linear kernel (and the name of one of the planet's fastest fish), an extremely optimized FP16xINT4 matmul kernel aimed at LLM inference that can deliver close to ideal (4x) speedups up to batchsizes of 16-32 tokens (in contrast to the 1-2 tokens of prior work with comparable speedup). Additionally, it includes Sparse-Marlin, an extension of the MARLIN kernels adding support to 2:4 weight sparsity, achieving 5.3x speedups on NVIDIA GPUs (Ampere/Ada).}, author = {Frantar, Elias and Castro, Roberto and Chen, Jiale and Hoefler, Torsten and Alistarh, Dan-Adrian}, publisher = {Zenodo}, title = {{MARLIN: Mixed-precision auto-regressive parallel inference on Large Language Models}}, doi = {10.5281/ZENODO.14213091}, year = {2024}, } @article{20039, abstract = {This Comment presents a high-level protocol for data harmonization within large cohorts, in which it postulates four main steps including (1) expert review, (2) pre-statistical harmonization, (3) statistical harmonization, and (4) validation.}, author = {Neidhart, Maja and Kjelkenes, Rikka and Jansone, Karina and Rehák Bučková, Barbora and Holz, Nathalie and Nees, Frauke and Walter, Henrik and Schumann, Gunter and Rapp, Michael A. and Banaschewski, Tobias and Schwarz, Emanuel and Marquand, Andre and Ogoh, George and Stahl, Bernd and Young, Allan H. and Desrivières, Sylvane and Clinton, Nicholas and Thompson, Paul and Schwalber, Ameli and Liu, Jingyu and Calhoun, Vince and Chang, Xiao and Xia, Yunman and Gong, Yanting and Jia, Tianye and Renner, Paul and Hese, Sören and Giner, Arantxa and Sanchez, Mavi and Alvarez, Elena and Spanlang, Bernhard and Pearmund, Charlie and Athanasiadis, Anastasios Polykarpos and Otten, Lisa and Pitel, Séverine and Petkoski, Spase and Jirsa, Viktor and Schmitt, Karen and Wilbertz, Johannes and Patraskaki, Myrto and Sommer, Peter and Heilmann-Heimbach, Stefanie and Mathey, Carina M. and Miller, Abigail and Claus, Isabelle and Nöthen, Markus M. and Hoffmann, Per and Forstner, Andreas J. and Pastor, Alvaro and Gallego, Jaime and Orosa, Francisco Eiroa and Viapiana, Guillem Feixas and Slater, Mel and Marr, Lena and Novarino, Gaia and Böttger, Sarah Jane and Tschorn, Mira and Rapp, Michael and Ask, Helga and Fernandez, Sara and Van Der Meer, Dennis and Westlye, Lars T. and Andreassen, Ole A. and Aden, Rieke and Seefried, Beke and Siehl, Sebastian and Nees, Frauke and Stringaris, Argyris and Tost, Heike and Meyer-Lindenberg, Andreas and Christmann, Nina and Banks, Jamie and Schepanski, Kerstin and Schütz, Tatjana and Taron, Ulrike Helene and Eils, Roland and Roy, Jean Charles and Lett, Tristram A. and Kebir, Hedi and Polemiti, Elli and Hitchen, Esther and Jentsch, Marcel and Serin, Emin and Bernas, Antoine and Vaidya, Nilakshi and Twardziok, Sven and Ralser, Markus and Heinz, Andreas}, issn = {2731-6076}, journal = {Nature Mental Health}, number = {10}, pages = {1134--1137}, publisher = {Springer Nature}, title = {{A protocol for data harmonization in large cohorts}}, doi = {10.1038/s44220-024-00315-0}, volume = {2}, year = {2024}, } @misc{20057, abstract = {In article number 2305128, Qing Sun, Shang Wang, Yanhong Tian, Andreu Cabot, and co-workers report an investigation of the energy-storage mechanism of a layered Bi2Te3-based cathode for aqueous zinc-ion batteries (ZIBs). They demonstrate that the zinc ion is not inserted into the cathode as previously assumed; in contrast, proton charge-storage dominates the process. They also demonstrate the great application prospects of aqueous ZIBs in flexible electronics via jet printing technology.}, author = {Zeng, Guifang and Sun, Qing and Horta, Sharona and Wang, Shang and Lu, Xuan and Zhang, Chao Yue and Li, Jing and Li, Junshan and Ci, Lijie and Tian, Yanhong and Ibáñez, Maria and Cabot, Andreu}, booktitle = {Advanced Materials}, issn = {1521-4095}, number = {1}, publisher = {Wiley}, title = {{A layered Bi2Te3@PPy cathode for aqueous Zinc‐Ion batteries: Mechanism and application in printed flexible batteries}}, doi = {10.1002/adma.202470004}, volume = {36}, year = {2024}, } @article{20060, abstract = {Un fenómeno a menudo asociado con el autismo es un modo atípico de función ejecutiva, cuyas manifestaciones incluyen dificultad para iniciar tareas. En algunos casos, esto va acompañado de sentimientos de inercia y sensaciones que pueden describirse como inquietud y parálisis simultáneas. En consecuencia, la dificultad para iniciar las tareas puede dar lugar a la procrastinación, ya sea simplemente posponiendo el trabajo en la tarea objetivo o realizando otras tareas no relacionadas antes de dedicarse a la tarea objetivo. Curiosamente, sin embargo, también está documentado que, una vez iniciada una tarea, los autistas pueden centrarse en ella intensamente y durante periodos prolongados de tiempo, especialmente cuando les resulta interesante. Este trabajo utiliza el procesamiento predictivo y la inferencia activa para modelar la relación entre la función ejecutiva, la procrastinación y la hiperfocalización en el autismo. Este modelo integra las causas conocidas y propuestas de los déficits en la función ejecutiva y el papel que desempeña el interés en la regulación de la atención y la motivación. El modelo propone que la procrastinación es el resultado de procesos diferenciales de minimización de errores de predicción, como la ponderación de estímulos sensoriales. Se discuten los vínculos con modelos propuestos previamente, como la coherencia central débil (CCC), y la teoría de los priores altos e inflexibles de los errores de predicción en el autismo (HIPPEA).}, author = {Carls-Diamante, Sidney and Laciny, Alice}, issn = {1316-693X}, journal = {Lógoi. Revista de Filosofía}, number = {45}, pages = {88--114}, publisher = {Universidad Católica Andrés Bello}, title = {{Stuck in uncertainty: A predictive processing/ active inference account of procrastination-like behaviour in autism}}, doi = {10.62876/lr.vi45.6481}, year = {2024}, } @misc{20121, abstract = {PyDaddy is an open source package which is a key contribution of the manuscript Nabeel et al, arXiv:2205.02645. The basic scientific premise for this package is to discover the nature of stochasticity in ecological time series datasets. It is well known that the stochasticity can affect the dynamics of ecological systems in counter-intuitive ways. Without understanding the equations (typically, in the form of stochastic differential equations or SDEs, in short) that govern the dynamics of populations or ecosystems, it's challenging to determine the impact of randomness on real datasets. In this manuscript and accompanying package, we introduce a methodology for discovering equations (SDEs) that transforms time series data of state variables into stochastic differential equations. This approach merges traditional stochastic calculus with modern equation-discovery techniques. We showcase the generality of our method through various applications and discuss its limitations and potential pitfalls, offering diagnostic measures to address these challenges.}, author = {Nabeel, Arshed and Karichannavar, Ashwin and Palathingal, Shuaib and Jhawar, Jitesh and Brückner, David and Danny Raj, Masila and Guttal, Vishwesha}, publisher = {Zenodo}, title = {{PyDaddy: A Python Package for Discovering SDEs from Time Series Data}}, doi = {10.5281/ZENODO.7137151}, year = {2024}, } @article{20156, abstract = {Integrative analyses that incorporate different levels of ‘-omics’ data represent a powerful tool for deciphering the biological mechanisms that underlie environmental influences on mental health and disease. This Comment highlights various aspects of such multi-omics approaches, using the example of the EU-funded environMENTAL project.}, author = {Desrivières, Sylvane and Miller, Abigail and Mathey, Carina M. and Yu, Xinyang and Chen, Di and Agunbiade, Kofoworola and Heilmann-Heimbach, Stefanie and Forstner, Andreas J. and Schumann, Gunter and Hoffmann, Per and Nöthen, Markus M. and Ogoh, George and Stahl, Bernd and Young, Allan H. and Clinton, Nicholas and Thompson, Paul and Schwalber, Ameli and Liu, Jingyu and Calhoun, Vince and Chang, Xiao and Xia, Yunman and Gong, Yanting and Jia, Tianye and Renner, Paul and Hese, Sören and Giner, Arantxa and Sanchez, Mavi and Alvarez, Elena and Spanlang, Bernhard and Pearmund, Charlie and Athanasiadis, Anastasios Polykarpos and Otten, Lisa and Pitel, Séverine and Petkoski, Spase and Jirsa, Viktor and Schmitt, Karen and Wilbertz, Johannes and Patraskaki, Myrto and Sommer, Peter and Claus, Isabelle and Pastor, Alvaro and Gallego, Jaime and Orosa, Francisco Eiroa and Viapiana, Guillem Feixas and Slater, Mel and Marr, Lena and Novarino, Gaia and Marquand, Andre and Böttger, Sarah Jane and Tschorn, Mira and Rapp, Michael and Ask, Helga and Kjelkenes, Rikka and Fernandez, Sara and Van Der Meer, Dennis and Westlye, Lars T. and Andreassen, Ole A. and Aden, Rieke and Seefried, Beke and Siehl, Sebastian and Nees, Frauke and Neidhart, Maja and Stringaris, Argyris and Schwarz, Emanuel and Holz, Nathalie and Tost, Heike and Meyer-Lindenberg, Andreas and Christmann, Nina and Jansone, Karina and Banaschewski, Tobias and Banks, Jamie and Schepanski, Kerstin and Schütz, Tatjana and Taron, Ulrike Helene and Eils, Roland and Roy, Jean Charles and Lett, Tristram A. and Kebir, Hedi and Polemiti, Elli and Hitchen, Esther and Jentsch, Marcel and Serin, Emin and Bernas, Antoine and Vaidya, Nilakshi and Twardziok, Sven and Ralser, Markus and Heinz, Andreas and Walter, Henrik}, issn = {2731-6076}, journal = {Nature Mental Health}, number = {10}, pages = {1131--1133}, publisher = {Springer Nature}, title = {{Multi-omics analyses of the environMENTAL project provide insights into mental health and disease}}, doi = {10.1038/s44220-024-00317-y}, volume = {2}, year = {2024}, } @article{20157, abstract = {The focus of much of contemporary research ethics is on compliance with established protocols. However, large data-driven neuroscience research raises new ethical concerns that have no agreed-upon solution. Here we reflect on these challenges and propose better integration of public and patient involvement in this evolving landscape.}, author = {Stahl, Bernd and Ogoh, George and Schumann, Gunter and Walter, Henrik and Stahl, Bernd and Young, Allan H. and Desrivières, Sylvane and Clinton, Nicholas and Thompson, Paul and Schwalber, Ameli and Liu, Jingyu and Calhoun, Vince and Chang, Xiao and Xia, Yunman and Gong, Yanting and Jia, Tianye and Renner, Paul and Hese, Sören and Giner, Arantxa and Sanchez, Mavi and Alvarez, Elena and Spanlang, Bernhard and Pearmund, Charlie and Athanasiadis, Anastasios Polykarpos and Otten, Lisa and Pitel, Séverine and Petkoski, Spase and Jirsa, Viktor and Schmitt, Karen and Wilbertz, Johannes and Patraskaki, Myrto and Sommer, Peter and Heilmann-Heimbach, Stefanie and Mathey, Carina M. and Miller, Abigail and Claus, Isabelle and Nöthen, Markus M. and Hoffmann, Per and Forstner, Andreas J. and Pastor, Alvaro and Gallego, Jaime and Orosa, Francisco Eiroa and Viapiana, Guillem Feixas and Slater, Mel and Marr, Lena and Novarino, Gaia and Marquand, Andre and Böttger, Sarah Jane and Tschorn, Mira and Rapp, Michael and Ask, Helga and Kjelkenes, Rikka and Fernandez, Sara and Van Der Meer, Dennis and Westlye, Lars T. and Andreassen, Ole A. and Aden, Rieke and Seefried, Beke and Siehl, Sebastian and Nees, Frauke and Neidhart, Maja and Stringaris, Argyris and Schwarz, Emanuel and Holz, Nathalie and Tost, Heike and Meyer-Lindenberg, Andreas and Christmann, Nina and Jansone, Karina and Banaschewski, Tobias and Banks, Jamie and Schepanski, Kerstin and Schütz, Tatjana and Taron, Ulrike Helene and Eils, Roland and Roy, Jean Charles and Lett, Tristram A. and Kebir, Hedi and Polemiti, Elli and Hitchen, Esther and Jentsch, Marcel and Serin, Emin and Bernas, Antoine and Vaidya, Nilakshi and Twardziok, Sven and Ralser, Markus and Heinz, Andreas and Walter, Henrik}, issn = {2731-6076}, journal = {Nature Mental Health}, number = {10}, publisher = {Springer Nature}, title = {{Rethinking ethics in interdisciplinary and big data-driven neuroscience projects}}, doi = {10.1038/s44220-024-00320-3}, volume = {2}, year = {2024}, } @article{20527, abstract = {Arising from C. Yang et al. Nature Chemistry https://doi.org/10.1038/s41557-023-01212-2 (2023) In this work Yang et al.1 claim that an enantioselective Michael addition reaction with a barrier of 16 kcal mol−1 occurs at the single-molecule level in frozen solvent by measuring fluctuations in current flowing across graphene-based molecular devices. The article, however, contains major scientific errors that undermine their conclusions. We highlight issues with the fabrication of the devices, a lack of characterization, discrepancies between theory and experiment, unreliable inelastic electron tunnelling spectra (IETS) and a perceived misinterpretation of noise as evidence of reaction.}, author = {Venkataraman, Latha and van Ruitenbeek, Jan}, issn = {1755-4349}, journal = {Nature Chemistry}, number = {11}, pages = {1767--1769}, publisher = {Springer Nature}, title = {{Questioning claims of monitoring the Michael addition reaction at the single-molecule level}}, doi = {10.1038/s41557-024-01631-9}, volume = {16}, year = {2024}, } @article{20529, abstract = {Single molecules bridging two metallic electrodes can emit light through electroluminescence when subjected to a bias voltage. Typically, light emission in such devices results from transitions between molecular states, although in the presence of light-matter coupling, the emission can result from a transition between hybrid light-matter states. Here, we create single metal-molecule-metal junctions and simultaneously collect conductance and electroluminescence data using a scanning tunneling microscope (STM) equipped with a custom spectrometer. Through experimental analysis and electronic structure calculations, we provide evidence for a molecule-electrode interfacial exciton coupled to a junction cavity plasmon. Importantly, we find that close to resonant transport conditions, the molecular junction functions as a single emitter that is strongly coupled to the junction cavity mode, leading to characteristic Rabi splitting of the emission spectrum and providing the first example of an electroluminescence-driven single-molecule system in the regime of strong light-matter coupling.}, author = {Paoletta, Angela L. and Hoffmann, Norah M. and Cheng, Daniel W. and York, Emma and Xu, Ding and Zhang, Boyuan and Delor, Milan and Berkelbach, Timothy C. and Venkataraman, Latha}, issn = {1520-5126}, journal = {Journal of the American Chemical Society}, number = {50}, pages = {34394--34400}, publisher = {American Chemical Society}, title = {{Plasmon-exciton strong coupling in single-molecule junction electroluminescence}}, doi = {10.1021/jacs.4c09782}, volume = {146}, year = {2024}, } @book{20615, abstract = {Spin/Pin-structures on vector bundles have long featured prominently in differential geometry, in particular providing part of the foundation for the original proof of the renowned Atiyah–Singer Index Theory. More recently, they have underpinned the symplectic topology foundations of the so-called real sector of the mirror symmetry of string theory. This semi-expository three-part monograph provides an accessible introduction to Spin- and Pin-structures in general, demonstrates their role in the orientability considerations in symplectic topology, and presents their applications in enumerative geometry. Part I contains a systematic treatment of Spin/Pin-structures from different topological perspectives and may be suitable for an advanced undergraduate reading seminar. This leads to Part II, which systematically studies orientability problems for the determinants of real Cauchy–Riemann operators on vector bundles. Part III introduces enumerative geometry of curves in complex projective varieties and in symplectic manifolds, demonstrating some applications of the first two parts in the process. Two appendices review the Čech cohomology perspective on fiber bundles and Lie group covering spaces.}, author = {Chen, Xujia and Zinger, Aleksey}, isbn = {9789811278532}, publisher = {World Scientific Publishing}, title = {{Spin/Pin-structures and real enumerative geometry}}, doi = {10.1142/13476}, year = {2024}, } @article{20756, abstract = {Biocatalysis has the potential to address the need for more sustainable organic synthesis routes. Protein engineering can tune enzymes to perform in cascade reactions and for efficient synthesis of enantiomerically enriched compounds, using both natural and new-to-nature reaction pathways. This review highlights recent achievements in biocatalysis, especially the development of novel enzymatic syntheses to access versatile small molecule intermediates and complex biomolecules. Biocatalytic strategies for the degradation of persistent pollutants and approaches for biomass valorization are also discussed. The transition of chemical synthesis to a greener future will be accelerated by implementing enzymes and engineering them for high performance and new activities.}, author = {Reisenbauer, Julia and Sicinski, Kathleen M. and Arnold, Frances H.}, issn = {1879-0402}, journal = {Current Opinion in Chemical Biology}, publisher = {Elsevier}, title = {{Catalyzing the future: Recent advances in chemical synthesis using enzymes}}, doi = {10.1016/j.cbpa.2024.102536}, volume = {83}, year = {2024}, } @article{20757, abstract = {We report the utilisation of an iodine(III) reagent to access α,β-unsaturated carbonyls from the corresponding silyl enol ethers and enol phosphates. The transformation can also be carried out in one pot, directly dehydrogenating carbonyls.}, author = {Botlik, Bence B. and Finkelstein, Patrick and Paschke, Ann-Sophie K. and Reisenbauer, Julia and Morandi, Bill}, issn = {1364-548X}, journal = {Chemical Communications}, number = {69}, pages = {9254--9257}, publisher = {Royal Society of Chemistry}, title = {{Versatile dehydrogenation of carbonyls enabled by an iodine(III) reagent}}, doi = {10.1039/d4cc02609h}, volume = {60}, year = {2024}, } @article{20807, abstract = {Human glutamate carboxypeptidase 2 (GCP2) from the M28B metalloprotease group is an important target for therapy in neurological disorders and an established tumor marker. However, its physiological functions remain unclear. To better understand general roles, we used the model organism Caenorhabditis elegans to genetically manipulate its three existing orthologous genes and evaluate the impact on worm physiology. The results of gene knockout studies showed that C. elegans GCP2 orthologs affect the pharyngeal physiology, reproduction, and structural integrity of the organism. Promoter-driven GFP expression revealed distinct localization for each of the three gene paralogs, with gcp-2.1 being most abundant in muscles, intestine, and pharyngeal interneurons, gcp-2.2 restricted to the phasmid neurons, and gcp-2.3 located in the excretory cell. The present study provides new insight into the unique phenotypic effects of GCP2 gene knockouts in C. elegans, and the specific tissue localizations. We believe that elucidation of particular roles in a non-mammalian organism can help to explain important questions linked to physiology of this protease group and in extension to human GCP2 involvement in pathophysiological processes.}, author = {Panska, Lucie and Nedvedova, Stepanka and Vacek, Vojtech and Krivska, Daniela and Konecny, Lukas and Knop, Filip and Kutil, Zsofia and Skultetyova, Lubica and Leontovyc, Adrian and Ulrychova, Lenka and Sakanari, Judy and Asahina, Masako and Barinka, Cyril and Macurkova, Marie and Dvorak, Jan}, issn = {1573-4935}, journal = {Bioscience Reports}, number = {1}, publisher = {Portland Press}, title = {{Uncovering the essential roles of glutamate carboxypeptidase 2 orthologs in Caenorhabditis elegans}}, doi = {10.1042/bsr20230502}, volume = {44}, year = {2024}, }