Institutt for kjemi: Nye registreringer
Viser treff 101-120 av 1391
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Transport coefficients for ion and solvent coupling. The case of the lithium-ion battery electrolyte
(Peer reviewed; Journal article, 2023)Transport properties are essential for the understanding and modeling of electrochemical cells, in particular complex systems like lithium-ion batteries. In this study, we demonstrate how a certain degree of freedom in the ... -
Excited State Absorption of Uracil in the Gas Phase: Mapping the Main Decay Paths by Different Electronic Structure Methods
(Peer reviewed; Journal article, 2021)We present a computational study of the one-photon and excited-state absorption (ESA) from the two lowest energy excited states of uracil in the gas phase: an nπ* dark state (1n) and the lowest energy bright ππ* state (1π). ... -
A first-principles insight into thermodynamic and mechanical properties of Xonotlite and Wollastonite phases of high temperature geothermal well cement
(Peer reviewed; Journal article, 2023)This study investigates the thermodynamic and mechanical properties of two common calcium silicate phases, xonotlite (Ca6Si6O17(OH)2) and wollastonite (CaSiO3), in high temperature geothermal well cement using first-principles ... -
Synthetic Strategies towards Imidazopyridinones and 7-Azaoxindoles and their Evaluation as Antibacterial Agents
(Peer reviewed; Journal article, 2021)Imidazopyridinones and 7-azaoxindoles are two classes of heterocyclic compounds with only limited previous use in organic and medicinal chemistry. Various synthetic methods and routes have been evaluated to identify safe ... -
Describing ground and excited state potential energy surfaces for molecular photoswitches using coupled cluster models
(Peer reviewed; Journal article, 2021)n this article, we use two extensively studied systems, a retinal model system and azobenzene, to explore the use of coupled cluster models for describing ground and singlet excited state potential energy surfaces of ... -
Electrospun Sandwich-like Structure of PVDF-HFP/Cellulose/PVDF-HFP Membrane for Lithium-Ion Batteries
(Peer reviewed; Journal article, 2023)Cellulose membranes have eco-friendly, renewable, and cost-effective features, but they lack satisfactory cycle stability as a sustainable separator for batteries. In this study, a two-step method was employed to prepare ... -
Amination of N-protected pyrrolo[2,3-d]pyrimidines and complications with 5-iododerivatives
(Master thesis, 2023)Brystkreft er den vanligste kreftformen, og forekomsten av sykdommen er økende på verdensbasis. Proteinet human epidermal vekstfaktorreseptor 2 (HER2) blir overprodusert i flere av brystkrefttilfellene. Derfor er HER2 et ... -
Pharmacological assessment of Co3O4, CuO, NiO and ZnO nanoparticles via antibacterial, anti-biofilm and anti-quorum sensing activities
(Peer reviewed; Journal article, 2023)Infectious diseases have risen dramatically as a result of the resistance of many common antibiotics. Nanotechnology provides a new avenue of investigation for the development of antimicrobial agents that effectively combat ... -
A simplified pore-scale model for slow drainage including film-flow effects
(Peer reviewed; Journal article, 2023)Liquid-filled corners and capillary bridges can establish networks connecting seemingly isolated clusters during drainage in porous media. Coupled with drainage through the bulk of pores and throats, the flow through these ... -
Nanoparticle Dynamics in Composite Hydrogels Exposed to Low-Frequency Focused Ultrasound
(Peer reviewed; Journal article, 2023)Pulsed focused ultrasound (FUS) in combination with microbubbles has been shown to improve delivery and penetration of nanoparticles in tumors. To understand the mechanisms behind this treatment, it is important to evaluate ... -
Seasonal biogeochemical cycling of mercury on the Arctic Ocean shelf
(Doctoral theses at NTNU;2023:286, Doctoral thesis, 2023)The toxic pollutant mercury accumulates in marine food webs on a global scale, with consumption of seafood as the primary exposure pathway for humans. Since 2017, the Minamata Convention on Mercury has aimed to reduce human ... -
Synthesis, identification, chiral separation and crystal structure of (3R,4R,7S,8S)-3,4,7,8-tetrachlorodecane and its stereoisomers
(Peer reviewed; Journal article, 2023)Chlorinated paraffins (CPs) are a notoriously known class of compounds that stand amongst the most wide-spread persistent organic pollutants. Therefore, their reliable, repeatable, and reproducible quantitative analysis ... -
Strong Coupling in Chiral Cavities: Nonperturbative Framework for Enantiomer Discrimination
(Peer reviewed; Journal article, 2023)The development of efficient techniques to distinguish mirror images of chiral molecules (enantiomers) is very important in both chemistry and physics. Enantiomers share most molecular properties except, for instance, the ... -
OLIA: An open-source digital lock-in amplifier
(Peer reviewed; Journal article, 2023)The Open Lock-In Amplifier (OLIA) is a microcontroller-based digital lock-in amplifier built from a small number of inexpensive and easily sourced electronic components. Despite its small credit card-sized form-factor and ... -
Examining Oxidized Mn and Fe as Adsorbents of Hg and Pb in Seawater: An Incubation Experiment
(Master thesis, 2023)Kunnskap om hvordan Hg og Pb sirkulerer i det marine miljøet er viktig fordi de er toksiske for marint liv. Forskning tyder på at redokssensitive elementer som Mn og Fe tar en viktig del i disse syklusene. Mn og Fe danner ... -
Chemoenzymatic Protocol for the Synthesis of Enantiopure β-Blocker (S)-Bisoprolol
(Peer reviewed; Journal article, 2023)The β-blocker (S)-bisoprolol hemifumarate has been synthesised in 96% enantiomeric excess with 19% total yield in a six-step synthesis. A transesterification reaction of the racemic chlorohydrin 1-chloro-3-(4-((2-isoprop ... -
Local pollution sources in Ny-Ålesund. Follow-up study of booster impact area in Brøggerdalen, and new study of leaching pollutants from Kolhaugen
(Master thesis, 2023)Langtransportert forurenset luft til Arktis er et velldokumentert fenomen siden oppmerksomhet rundt persistente organiske miljøgifter økte på midten av 1900-tallet. Effekten av lokale, menneskeskapte forurensning i Arktisk ... -
Evaluation of Biochar Produced from the Thermal Treatment of Organic Waste to Decrease the Mobility and Bioavailability of PFAS
(Master thesis, 2023)Per- and polyfluoroalkyl substances (PFAS), commonly referred to as "Forever chemicals," are characterized by their enduring persistence and wide distribution due to their chemical properties and extensive usage. Elevated ... -
Microplastic Pollution in the Volta River Delta’s Blue Carbon Mangrove Ecosystem in Ghana
(Master thesis, 2023)Denne oppgaven har tatt del i BC5 og Sailing 4 Science. BC5 eller "Building Capacity to Crosslink Coastal Pollution with Climate Change" er et prosjekt finansert av Norad under programmet "Climate change and Natural ... -
Computational modeling of the molecular basis for the calcium-dependence of the mannuronan C-5 epimerase AvAlgE6 from Azotobacter vinelandii
(Peer reviewed; Journal article, 2023)The mannuronan C-5 epimerases catalyze epimerization of β-d-mannuronic acid to α-l-guluronic acid in alginate polymers. The seven extracellular Azotobacter vinelandii epimerases (AvAlgE1–7) are calcium-dependent, and calcium ...