We report gas-phase electronic photodissociation spectra of the undercoordinated bromoiridate complexes IrBr(4)(-) and IrBr(5)(-) at photon energies from 1 to 5.6 eV. Both ions have open-shell ground states with low-symmetry structures. The fragmentation is characterized by thresholds for the loss of one Br atom for IrBr(4)(-) and one or two Br atoms for IrBr(5)(-). The experimental spectra consist of ligand-to-metal charge transfer transitions and reveal a large density of electronic states that can be recovered by time-dependent density functional theory.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1021/jp208933z | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
A functional helix shuffled variant of the B domain of Staphylococcus aureus.
Protein Sci
February 2025
Institute of Physics, Biophysics, Martin-Luther-University Halle-Wittenberg, Halle (Saale), Germany.
The B domain of protein A is a biotechnologically important three-helix bundle protein. It binds the Fc fragment of antibodies with helix 1/2 and the Fab region with helix 2/3. Here we designed a helix shuffled variant by changing the connectivity of the helices, in order to redesign the helix bundle, yielding altered helix-loop-helix properties.
View Article and Find Full Text PDFA Unique Intramolecular Redox Reaction by Unidirectional Migration of Three Hydrogen Atoms: Theoretical Elucidation of the 3H-Transfer Sequence.
Chemistry
January 2025
TU Chemnitz: Technische Universitat Chemnitz, Insitut für Chemie, Straße der Nationen 62, 09111, Chemnitz, GERMANY.
The intramolecular migration of three hydrogen atoms from one moiety of a gaseous radical cation to the other prior to fragmentation is an extremely rare type of redox reaction. Within the scope of this investigation, this scenario requires an ionized but electron-rich arene acceptor bearing a para-(3-hydroxyalkyl) residue. The precise mechanism of such unidirectional 3H transfer processes, including the order of the individual H transfer steps, has remained unclear in spite of previous isotope labelling and recent infrared ion spectroscopy (IRIS) studies.
View Article and Find Full Text PDFEffects of chitosan-gentianic acid derivatives on myofibrillar proteins in sea bass (Lateolabrax maculatus) during refrigerated storage.
Int J Biol Macromol
January 2025
College of Food Science and Technology, Shanghai Ocean University, Shanghai 201306, China; Shanghai Aquatic Products Processing and Storage Engineering Technology Research Center, Shanghai 201306, China; National Experimental Teaching Demonstration Center for Food Science and Engineering (Shanghai Ocean University), Shanghai 201306, China. Electronic address:
Phenolic acid-chitosan derivatives have received extensive attention due to their greatly enhanced mechanical, antibacterial and antioxidant properties, especially in food preservation. The chitosan-gentianic acid (CS-g-GA) was prepared and its impact on myofibrillar proteins (MPs) in sea bass (Lateolabrax maculatus) during refrigerated storage was investigated in this study. Fish fillets were immersed in distilled water, CS, GA and CS-g-GA solutions, respectively, followed by an 18-day refrigerated storage.
View Article and Find Full Text PDFDevelopment of an G Protein-Coupled Receptor Fragment Molecule Screening Approach with High-Resolution Magic Angle Spinning Nuclear Magnetic Resonance.
ACS Chem Biol
January 2025
Department of Chemistry, University of Florida, Gainesville Florida 32611, United States.
Small molecules are essential for investigating the pharmacology of membrane proteins and remain the most common approach for therapeutically targeting them. However, most experimental small molecule screening methods require ligands containing radiolabels or fluorescent labels and often involve isolating proteins from their cellular environment. Additionally, most conventional screening methods are suited for identifying compounds with moderate to higher affinities ( < 1 μM) and are less effective at detecting lower affinity compounds, such as weakly binding molecular fragments.
View Article and Find Full Text PDFSynthesis of zwitterionic asymmetric and symmetric carboxy-imidazolium derivatives and their use in molecular interactions with bovine serum albumin.
Org Biomol Chem
January 2025
A. M. Butlerov Institute of Chemistry, Kazan Federal University, Kremlevskaya str. 18, Kazan 420018, Russia.
For the first time asymmetric and symmetric carboxytriazoleimidazolium derivatives with different structures were synthesized. The critical micellization concentration (CMC) value was estimated using a pyrene fluorescent probe and the solubility of Orange OT. The complexation ability of carboxytriazoleimidazolium derivatives toward bovine serum albumin (BSA) has been investigated by various physico-chemical methods: fluorescence spectroscopy, electrophoretic light scattering and circular dichroism.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!