From Data to Dimers: Engineering Acene Derivatives for Photovoltaic Singlet Fission
Excited‐state energies of acene derivatives are predicted using a ChemBERTa‐based regression model and subsequently used to screen candidates for photovoltaic singlet fission using dimer–monomer benchmarked energetic criteria. Promising candidates are predominantly 5‐ and 6‐fused heteroacenes, which offer enhanced stability and higher triplet energies ...
Alexander J. Cross +2 more
wiley +1 more source
Infrared Spectra and Pressure-Dependent Yields of the Criegee Intermediate Methyl Vinyl Ketone Oxide and Its Iodoperoxy Adduct. [PDF]
Hsu JY, Lee YP.
europepmc +1 more source
This research presents a novel 1,4‐π‐functionalized calix[6]arene with enhanced interactions with dialkylammonium axles. We investigate threading behavior in CDCl3, highlighting how exo‐rim π‐functionalization affects binding affinity and stereoselectivity.
Veronica Iuliano +7 more
wiley +1 more source
Chemoenzymatic Labeling Method for Detection of O-GlcNAcylated α-Synuclein Proteins by Western Blot. [PDF]
Meng H, Ma Z, Miao Y, Liu CF.
europepmc +1 more source
N─H or O─H Bond Activation With a Bicyclic Si4 Ring Compound
The bicyclic Si4 ring compound with zwitterionic character reacts with NH3, H2O, and selected alcohols to give functionalized saturated silicon rings, siliconoid clusters with unsubstituted Si atoms, or simple 1,3‐addition products. The experimentally observed reactivity could be rationalized based on results from mechanistic calculations employing ...
Michael Quest +7 more
wiley +1 more source
Raman Spectroscopy for Probing Pathological Protein Aggregates: Potential and Perspectives for Advanced Diagnostic Applications. [PDF]
Gualerzi A +5 more
europepmc +1 more source
Combining the chiral bispidine ligand L1 with MnCl2 affords coordination polymers (CPs) with an unusual topology for this family of compounds, consisting of orthogonally packed ribbon‐like one‐dimensional (1D) chains. Their behavior was investigated through single‐crystal‐to‐single‐crystal exchange with aromatic volatile organic compounds (VOCs) and ...
Meriem Goudjil +8 more
wiley +1 more source
Fragmentation-Induced Disassembly and Reaggregation of α-Synuclein Amyloid Fibrils. [PDF]
Havemeister F +3 more
europepmc +1 more source
Stereochemical Control in the Matteson Reaction
The Matteson homologation is a highly versatile method for the stereoselective insertion of carbenoids into boronic esters. Through iterative application of the process, complex chiral molecules can be synthesized. The stereoselectivity of the reaction is determined by a chiral diol incorporated in the boronic ester.
Hae Mo Lee, Christoph Hirschhäuser
wiley +1 more source
p53 regulates mitochondrial function and alpha-synuclein aggregation in Parkinson's disease. [PDF]
Hou K +11 more
europepmc +1 more source

