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Robustness of Threshold Collision-Induced Dissociation Simulations for Bond Dissociation Energies
(2024)The Journal of Physical Chemistry AThe threshold collision-induced dissociation (T-CID) method is the workhorse for gas-phase bond dissociation energy (BDE) measurements. However, T-CID does not measure BDEs directly; instead, BDEs are obtained by fitting simulated data to the experimental data. We previously observed several large discrepancies between the computed and experimental BDEs. To analyze the reliability of the experimental values, we previously reported a study ...Journal Article -
Nitrogen availability and plant functional composition modify biodiversity‐multifunctionality relationships
(2024)Ecology LettersBiodiversity typically increases multiple ecosystem functions simultaneously (multifunctionality) but variation in the strength and direction of biodiversity effects between studies suggests context dependency. To determine how different factors modulate the diversity effect on multifunctionality, we established a large grassland experiment manipulating plant species richness, resource addition, functional composition (exploitative vs. ...Journal Article -
Unique corrosion behavior of an archaeological Roman iron ring: microchemical characterization and thermodynamic considerations
(2024)Corrosion ScienceThe corrosion mechanisms of a Roman iron bezel ring were investigated by in-depth characterization of its uncommon corrosion pattern and thermodynamic modelling. A silver foil and altered glass remnants were identified, covered with thick strata of magnetite and goethite. Underneath it, was a multi-millimetric cavity, filled with spheroidal magnetite or magnetite/goethite nodules in a siderite matrix. The bottom of the preserved object ...Journal Article -
Cyclopentadienone Iron Complex-Catalyzed Hydrogenation of Ketones: The Influence of the Charge-Tag on Catalytic Performance
(2024)OrganometallicsThe reason for the discrepancy in reaction rate in hydrogenation reactions using cyclopentadienone iron complexes as catalysts, depending on the absence or presence of a negative charge-tag (sulfonate or phosphonate), was investigated experimentally. Based on NMR and kinetic experiments, the direct binding of the charge-tag to the active site of the catalyst and electric field effects influencing transition state energies could be excluded. ...Journal Article -
Pangenome-genotyped structural variation improves molecular phenotype mapping in cattle
(2024)Genome ResearchExpression and splicing quantitative trait loci (e/sQTL) are large contributors to phenotypic variability. Achieving sufficient statistical power for e/sQTL mapping requires large cohorts with both genotypes and molecular phenotypes, and so, the genomic variation is often called from short-read alignments, which are unable to comprehensively resolve structural variation. Here we build a pangenome from 16 HiFi haplotype-resolved cattle ...Journal Article -
A Human-Scale Clinically-Ready Electromagnetic Navigation System for Magnetically-Responsive Biomaterials and Medical Devices
(2024)Advanced MaterialsMagnetic navigation systems are used to precisely manipulate magnetically responsive materials enabling the realization of new minimally invasive procedures using magnetic medical devices. Their widespread applicability has been constrained by high infrastructure demands and costs. we report on a portable electromagnetic navigation system, the Navion, which is capable of generating a large magnetic field over a large workspace. The system ...Journal Article