'The German physical chemist Fritz Haber was distinguished not only for his researches, but also for his services to industry and to his country. Haber and the research institutes he directed contributed to a wide range of advances in physical chemistry. His most outstanding scientific achievement was his synthesis of ammonia, which solved the urgent problem of meeting the world demand for nitrogen fertiliser'. So begins the entry to Haber in the 1972 Encyclopaedia Britannica. Haber was indeed a great and versatile scientist, but his was also a vigorous and complex personality that interacted in unexpected ways with the social and political circumstances of his time.
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Physics-Based Synthetic Data Model for Automated Segmentation in Catalysis Microscopy.
Microsc Microanal
January 2025
Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin 14195, Germany.
In catalysis research, the amount of microscopy data acquired when imaging dynamic processes is often too much for nonautomated quantitative analysis. Developing machine learned segmentation models is challenged by the requirement of high-quality annotated training data. We thus substitute expert-annotated data with a physics-based sequential synthetic data model.
View Article and Find Full Text PDFDecoupling many-body interactions in the CeO(111) oxygen vacancy structure with statistical learning and cluster expansion.
Nanoscale
January 2025
Photon Science Research Center for Carbon Dioxide, Shanghai Advanced Research Institute, Chinese Academy of Sciences, Shanghai 201210, China.
Oxygen vacancies (V's) are of paramount importance in influencing the properties and applications of ceria (CeO). Yet, comprehending the distribution and nature of V's poses a significant challenge due to the vast number of electronic configurations and intricate many-body interactions among V's and polarons (Ce ions). In this study, we established a cluster expansion model based on first-principles calculations and statistical learning to decouple the interactions among the Ce ions and V's, thereby circumventing the limitations associated with sampling electronic configurations.
View Article and Find Full Text PDFAbscisic Acid, Microtubules and Phospholipase D-Solving a Cellular Bermuda Triangle.
Int J Mol Sci
December 2024
Molecular Cell Biology, Joseph Gottlieb Kölreuter Institute for Plant Sciences, Karlsruhe Institute of Technology, Fritz-Haber-Weg 4, 76131 Karlsruhe, Germany.
Rice plants are important food crops that are sensitive to cold stress. Microtubules (MTs) are highly associated with plant response to cold stress. The exogenous application of abscisic acid (ABA) can transiently induce the cold stability of microtubules.
View Article and Find Full Text PDFDynamics of hydrogen shift reactions between peroxy radicals.
Phys Chem Chem Phys
January 2025
The Fritz Haber Center for Molecular Dynamics, Institute of Chemistry, The Hebrew University of Jerusalem, Jerusalem 91904, Israel.
Peroxy radicals are key intermediates in many atmospheric processes. Reactions between such radicals are of particular interest as they can lead to accretion products capable of participating in new particle formation (NPF). These reactions proceed through a tetroxide intermediate, which then decomposes to a complex of two alkoxy radicals and O, with spin conservation dictating that the complex must be formed in the triplet state.
View Article and Find Full Text PDFSelf-association of cyclodextrin inclusion complexes in a deep eutectic solvent enhances guest solubility.
Carbohydr Polym
March 2025
Institute of Chemistry, The Fritz Haber Research Center, and The Harvey M. Krueger Family Center for Nanoscience and Nanotechnology, Edmond J. Safra Campus, The Hebrew University, Jerusalem 9190401, Israel. Electronic address:
Cyclodextrins are widely used pharmaceutical excipients known to increase the solubility of drug compounds through formation of inclusion complexes. A prominent limitation of common cyclodextrins is their own scarce solubility in water, which renders them unsuitable for many drug formulations. Cyclodextrin solubility can be enhanced in appropriate media such as Deep Eutectic Solvents (DESs).
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