Department of Chemistry
Recent Submissions
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Automated de Novo Design of Olefin Metathesis Catalysts: Computational and Experimental Analysis of a Simple Thermodynamic Design Criterion
(Journal article; Peer reviewed, 2024)Methods for computational de novo design of inorganic molecules have paved the way for automated design of homogeneous catalysts. Such studies have so far relied on correlation-based prediction models as fitness functions ... -
Omega-3 Marine Fatty Acid Supplementation to Healthy Subjects Interacts With Moderate Physical Activity to Provide a Cardiovascular Healthier Lipoprotein Subclass Profile
(Journal article; Peer reviewed, 2024)This work investigates the impact of marine omega-3 and physical activity and their interaction on cardiometabolic health as expressed by the serum lipoprotein profile. Using an experimental design that allows for the ... -
Determination of Nanoparticles and Elements in Blue Mussels (Mytilus edulis) along the Norwegian Coastline
(Journal article; Peer reviewed, 2024)Our work aimed to examine nanoparticle levels in 69 distinct pooled mussel samples along the Norwegian coastline, considering samples from different environmental contexts, including natural locations, potentially polluted ... -
Enabling Automation of de Novo Catalyst Design: An Experimentally Validated, Multifactor Design Metric for Olefin Metathesis
(Journal article; Peer reviewed, 2024)Automated methods for molecular design navigate chemical space by ranking candidate compounds against predefined, numerical design metrics. To date, metrics for homogeneous catalysts focus on catalyst activity as the sole ... -
Solid-State NMR Validation of OPLS4: Structure of PC-Lipid Bilayers and Its Modulation by Dehydration
(Journal article; Peer reviewed, 2024)Atomistic molecular dynamics (MD) simulations are a much-used tool for investigating the structure and dynamics of biomembranes with atomic resolution. The validity of the representations obtained is determined by the ... -
Integrative determination of atomic structure of mutant huntingtin exon 1 fibrils implicated in Huntington disease
(Journal article; Peer reviewed, 2024)Neurodegeneration in Huntington’s disease (HD) is accompanied by the aggregation of fragments of the mutant huntingtin protein, a biomarker of disease progression. A particular pathogenic role has been attributed to the ... -
Covalent organic-inorganic polyoxometalate hybrids in catalysis
(Journal article; Peer reviewed, 2024)Polyoxometalates (POMs) are a class of compounds known for the vast range of tunable structures and properties available, leading to applications in areas such as catalysis, energy, and advanced medicine. The ability to ... -
Phase transfer catalysts shift the pathway to transmetalation in biphasic Suzuki-Miyaura cross-couplings
(Journal article; Peer reviewed, 2024)The Suzuki-Miyaura coupling is a widely used C-C bond forming reaction. Numerous mechanistic studies have enabled the use of low catalyst loadings and broad functional group tolerance. However, the dominant mode of ... -
Dynamic sampling in autonomous process optimization
(Journal article; Peer reviewed, 2024)Autonomous process optimization (APO) is a technology that has recently found utility in a multitude of process optimization challenges. In contrast to most APO examples in microflow reactor systems, we recently presented ... -
Superhydrophobic cellulose-nanofiber aerogels from waste cotton stalks for superior oil–water and emulsion separation
(Journal article; Peer reviewed, 2024)Cellulose aerogel, a sustainable material characterized by low density and high porosity, demonstrates promising potential for addressing oil spill incidents. In this study, waste cotton stalk biomass was processed using ... -
A teaching module in research integrity and ethics for university students based on the IUPAC living-code approach
(Journal article; Peer reviewed, 2024)Through history, the relationship between science and society has changed, and today, science is almost totally integrated and an essential pillar in society. This development has changed the framework for scientific ... -
Abstraction of Trifluoroborane from Tetrafluoroborate: Li$^+$-Assisted Borylation of Nucleophilic Carbenes
(Journal article; Peer reviewed, 2024)The small, lipophilic tetrafluoroborate anion is ubiquitous in the imidazol(in)ium and iminium precursors to N-heterocyclic carbenes (NHCs), including cyclic (alkyl)(amino)carbenes (CAACs). Its symmetrical distribution of ... -
Implications of confounding from unmodeled interactions between explanatory variables when using latent variable regression models to make inferences
(Journal article; Peer reviewed, 2024)With linear dependency between the explanatory variables, partial least squares (PLS) regression is commonly used for regression analysis. If the response variable correlates to a high degree with the explanatory variables, ... -
Pursuing E-Selective Olefin Metathesis: Tuning Steric and Electronic Properties of S,N-Chelated Ruthenium Alkylidenes
(Journal article; Peer reviewed, 2024)Selective formation of E-olefins directly from 1-alkenes is still an unsolved problem more than 10 years after the first Z-selective metathesis catalysts were reported. Illustrating the challenge, the sulfidoindolide-based ... -
Investigating the Origin of Epimerization Attenuation during Pd-Catalyzed Cross-Coupling Reactions
(Journal article; Peer reviewed, 2024)Palladium-catalyzed cross-couplings remain among the most robust methodologies to form carbon–carbon and carbon-heteroatom bonds. In particular, carbon–nitrogen (C–N) couplings (Buchwald–Hartwig aminations) find widespread ... -
Synthesis and stability of the [$^{45}$Ti]Ti-DOTA complex: en route towards aza-macrocyclic $^{45}$Ti-based radiopharmaceuticals
(Journal article; Peer reviewed, 2024)We report the use of DOTA as a chelator for titanium. The resulting complex is fully characterised and in vitro stability studies reveal its high kinetic inertness against transmetallation and transchelation. The radiolabeling ... -
Development of a green scalable route toward the synthesis of bio-based 2-pyrones
(Journal article; Peer reviewed, 2024)2-Pyrones are molecules that gained significant attention in the field of medicine and synthetic chemistry. They are broadly present in nature, where they play an important role in the defense mechanisms of the organisms ... -
A critical review of the adsorption-desorption characteristics of antibiotics on microplastics and their combined toxic effects
(Journal article; Peer reviewed, 2024)The interaction between microplastics (MPs) and pollutants is crucial for assessing the environmental risk of MPs. It is necessary to pay attention to the adsorption/desorption behavior of antibiotics on MPs due to their ... -
Functional in vitro diversity of an intrinsically disordered plant protein during freeze–thawing is encoded by its structural plasticity
(Journal article; Peer reviewed, 2024)Intrinsically disordered late embryogenesis abundant (LEA) proteins play a central role in the tolerance of plants and other organisms to dehydration brought upon, for example, by freezing temperatures, high salt concentration, ... -
Halide Salts Alleviate TMSOK Inhibition in Suzuki-Miyaura Cross-Couplings
(Journal article; Peer reviewed, 2024)The Suzuki–Miyaura cross-coupling (SMC) remains one of the most widely used transformations available to chemists. Recently, robust new conditions achieving rapid reactivity under homogeneous aprotic conditions enabled by ...
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