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2 Apr 2025 • Journal Article • RSC Chemical Biology
Chemical approaches to explore ubiquitin-like proteins
AbstractChemical protein synthesis has emerged as a powerful approach for producing ubiquitin (Ub) and ubiquitin-like modifiers (Ubls) in both their free and conjugated forms, particularly when recombinant or enzymatic strategies are challenging. By providing precise control over the assembly of Ub and Ubls, chemical synthesis enables the generation of complex constructs with
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31 Mar 2025 • Preprint • arXiv
Spontaneous Emission from Electronic Metastable Resonance States
AbstractWe demonstrate that calculating the spontaneous emission decay rate from metastable resonance states (states with finite lifetimes embedded in the continuum) requires considering transitions to all continuum states, not just to lower states. This holds even when the lifetimes of the metastable states are very long and might be effectively considered as bound states in
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27 Mar 2025 • Preprint • ChemRxiv
Sustainable Fuels from CO2-rich synthesis gas via Fischer-Tropsch technology
AbstractCO2-containing synthesis gas is a relevant feedstock for the production of synthetic fuels using Fischer-Tropsch Synthesis. We report the role of CO2 in CO2, CO and H2 mixed feeds over a cobalt-based catalyst at 220 °C and 21 bar in a packed bed reactor. The C5+ selectivity remains above 78 % even for CO2-rich synthesis gas with 75 % CO2/(CO+CO2). Using 13CO2 isotopic
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26 Mar 2025 • Journal Article • Journal of Hazardous Materials
Impacts of different plastic residues on soil volatile profiles associated with microbiome dynamics
AbstractPlastic pollution poses a significant threat to soil ecosystems, yet the role of volatile organic compounds (VOCs) in plastic degradation is not well-studied. The present research focuses on the impact of polyethylene (PE), polylactic acid (PLA), and poly(butylene-adipate-co-terephthalate) (PBAT) residues on soil in a 12-week long lab-scale aerobic experiment. The study
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25 Mar 2025 • Preprint • arXiv
Light's symmetry, asymmetry, and their role in nonlinear optics and ultrafast phenomena
AbstractThe analysis of symmetries is extremely useful across science. In Physics, symmetries are used to derive conservation laws and selection rules for transitions in interacting systems. In the early days of nonlinear optics (NLO), symmetries were used to formulate a set of rules for photonic processes according to the medium's symmetries that are reflected in the NLO
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24 Mar 2025 • Journal Article • Journal of Physical Organic Chemistry
Polybenzenoid Hydrocarbons in the S1 State: Simple Structural Motifs Predict Electronic Properties and (Anti)aromaticity
AbstractPolybenzenoid hydrocarbons (PBHs) are widely studied for their semiconductive properties and potential applications in organic electronics and photochemistry. Understanding their behavior in excited states is crucial for optimizing their performance in these applications. Here, we computationally investigate a dataset of 43 unbranched cata-condensed PBHs in their first
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21 Mar 2025 • Preprint • arXiv
Light-induced persistent electronic chirality in achiral molecules probed with transient absorption circular dichroism spectroscopy
AbstractChiral systems exhibit unique properties traditionally linked to their asymmetric spatial arrangement. Recently, multiple laser pulses were shown to induce purely electronic chiral states without altering the nuclear configuration. Here we propose and numerically demonstrate a simpler realization of light-induced electronic chirality that is long-lived and occurs much
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20 Mar 2025 • Preprint
COMPAS-4: a Dataset of (BN)- Substituted Cata-Condensed Polybenzenoid Hydrocarbons – Data Analysis and Feature Engineering
AbstractIncorporation of a BN pair into polycyclic aro- matic hydrocarbons is a common approach for modulating their electronic properties. However, a conceptual and quantitative framework rationalizing the observed effects has not been developed, and general structure-property relationships remain elusive. In this work, we perform a data-driven investigation that leads to
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19 Mar 2025 • Journal Article • Chemical Science
The role of lipid phase and temperature in proton barrier and proton migration on biological membranes
AbstractBiological membranes play a major role in diffusing protons on their surfaces between transmembrane protein complexes. The retention of protons on the membrane's surface is commonly described by a membrane-associated proton barrier that determines the efficiency of protons escaping from surface to bulk, which correlates with the proton diffusion (PD) dimensionality at
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19 Mar 2025 • Conference Paper • Ultrafast Phenomena and Nanophotonics XXIX
New insights to the process of resonant high harmonic generation in plasma plume
AbstractThe underline physics of resonance high harmonic generation in plasma plumes is still not well understood. A simple model, which is an extension of the well-known three step model predict the capture of the re-colliding electron into an autoionization state and only then return to the ground state while emitting the HHG photon. Another explanation is a better phase
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