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Now showing items 101-200 of 380
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
We have constructed thin films of organic–inorganic hybrid character by combining titanium tetra-isopropoxide (TTIP) and the nucleobases thymine, uracil or adenine using the molecular layer deposition (MLD) approach. Such ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
The authors here report epitaxial growth of the ferrimagnet NixFe3–xO4 (NFO) by atomic layer deposition at low temperatures. Films grow epitaxially at a reactor temperature of 250 °C and require no further postannealing ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
During the May–June 2016 International Cooperative Air Quality Field Study in Korea (KORUS-AQ), light synoptic meteorological forcing facilitated Seoul metropolitan pollution outflow to reach the remote Taehwa Research ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
The naturally occurring peptide indolicidin from bovine neutrophils exhibits strong biological activity against a broad spectrum of microorganisms. This is believed to arise from selective interactions with the negatively ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
We examine O3 production and its sensitivity to precursor gases and boundary layer mixing in Korea by using a 3-D global chemistry transport model and extensive observations during the KORea-US cooperative Air Quality field ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
Interventions that alter cholesterol have differential impacts on hormone receptor positive- and negative-breast cancer risk and prognosis. This implies differential regulation or response to cholesterol within different ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2019)
We report a combined experimental–theoretical study on the 31P NMR chemical shift for a number of trans-platinum(II) complexes. Validity and reliability of the 31P NMR chemical shift calculations are examined by comparing ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2019)
The indoor environment contributes considerably to human exposure to poly- and perfluoroalkyl substances (PFASs). This study estimated the human exposure to PFASs from the indoor environment through hand-to-mouth and dermal ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
Temperature-induced gelation of amphiphilic copolymers in aqueous media has attracted a great deal of interest in recent years. We have investigated phase behavior, gelation, rheology, and structure of modified versions ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
Millimeter-sized crystalline particles of butyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate, C21, magnitudes larger than adherent particulate matter commonly observed during routine filter service inspections, were ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
High-temperature instability of the Ca3Co4−yO9+δ and CaMnO3−δ direct p-n junction causing the formation of Ca3Co2−xMnxO6 has motivated the investigation of the thermoelectric performance of this intermediate phase. Here, ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
This contribution clarifies the overoxidation-preventing key step in the methane-to-methanol (MTM) conversion over copper mordenite zeolites. We followed the methane-to-methanol conversion over copper mordenite zeolites ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
We use first-principle calculations based on hybrid functional and the Bethe-Salpeter equation method to investigate the electronic and optical properties of dichalcogenide TlGaTe2. Based on theoretical studies, TlGaTe2 ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2019)
Corrosion in carbon steel pipelines is a major threat for safe CO2 transport, and there have been several projects studying the corrosivity of impurities which could be found in captured CO2. Often only two or three of ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
Background: Reactive oxygen species (ROS), such as hydrogen peroxide and superoxide, trigger biodegradation of polymer-based nanoparticles (NPs) bearing pinacol-type boronic ester groups. These NPs may selectively release ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2019)
In a solid-liquid dual-phase CO2 separation membrane, the native ions in the molten alkali carbonate, including carbonate anions and metal cations can transport CO2 in a process that is charge-compensated by electronic ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2019)
A solid-state photoelectrochemical (SSPEC) cell is an attractive approach for solar water splitting, especially when it comes to monolithic device design. In a SSPEC cell the electrodes distance is minimized, while the use ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2019)
Mixed oxide hydride anion systems constitute a novel class of materials exhibiting intriguing properties such as solid-state hydride ion conduction and fast anion exchange. In this contribution we derive the kinetics of ...
(Journal article / Tidsskriftartikkel / SubmittedVersion, 2019)
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
A new analogue of gambierone, 44-methylgambierone, was isolated from the benthic dinoflagellate Gambierdiscus australes collected from Raoul Island (Rangitahua/Kermadec Islands). This molecule has been previously reported ...
High performance and toxicity assessment of Ta3N5 nanotubes for photoelectrochemical water splitting
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
In this work, Co-based cocatalysts are electrodeposited on mesoporous Ta3N5 nanotubes. The electrodeposition time is varied and the optimized photoelectrode reaches a photocurrent density of 6.3 mA/cm2 at 1.23 V vs. SHE, ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2019)
The Ruddlesden-Popper phase LaSr3Fe3O10 and its reduced derivatives with nominal composition LaSr3Fe3O10–x, with 0 < x < 1.21, are described in detail with respect to crystal structure, magnetic order, thermal stability ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
Nickelates, just like their isoelectronic cousins (the cuprate superconductors), are candidates for high temperature superconductivity. As charge density waves (CDW) and superconductivity might share a similar microscopic ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
Centromeres are defined epigenetically by nucleosomes containing the histone H3 variant CENP ‐A, upon which the constitutive centromere‐associated network of proteins (CCAN ) is built. CENP ‐C is considered to be a central ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
Molecular exchange processes are important equilibration and transport mechanisms in both synthetic and biological self-assembled systems such as micelles, vesicles, and membranes. Still, these processes are not entirely ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2019)
Albatrellus ovinus, the sheep polypore, is a large, dense mushroom being rich in cell wall material. Polysaccharides were isolated by sequential extraction, enzymatic treatment and analyzed with respect to monosaccharide ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
Background
Human biomonitoring studies have demonstrated decreasing concentrations of many persistent organic pollutants (POPs) in years after emission peaks.
Objectives
To describe time trends of POPs in blood using ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
The reactivity of BaZr1−xYxO3−δ (x = 0–0.2) ceramics under 1 atm CO2 at 650 °C for up to 1000 h was investigated in order to elucidate possible degradation processes occurring when the material is applied as a proton-conducting ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2018)
A one pot catalytic system which involves Cu and an alkoxide co-catalyst has been used for methanol (MeOH) synthesis at low temperature. Up to about 92% syngas conversion per pass and more than 90% selectivity to MeOH (the ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2018)
The catalytic mechanism of the cyclic amidohydrolase isatin hydrolase depends on a catalytically active manganese in the substrate-binding pocket. The Mn2+ ion is bound by a motif also present in other metal dependent ...
(Journal article / Tidsskriftartikkel / SubmittedVersion, 2018)
Hydride anion-conducting oxyhydrides have recently emerged as a brand new class of ionic conductors. Here we shed a first light onto their local vibrations, bonding mechanisms, and anion migration properties using the ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2018)
Metal alkylidenes, which are key organometallic intermediates in reactions such as olefination or alkene and alkane metathesis, are typically generated from metal dialkyl compounds [M](CH2R)2 that show distinctively ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2018)
Coupled cluster (CC) methods are among the most accurate methods in quantum chemistry. However, the standard CC linear response formulation is not gauge invariant, resulting in errors when modelling properties like optical ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2018)
The mathematical foundation of the so-called extended coupled-cluster method for the solution of the many-fermion Schrödinger equation is here developed. We prove an existence and uniqueness result, both in the full ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2018)
Objectives
In vivo evaluations of a gonadotropin releasing hormone-receptor single photon emission computed tomography radiotracer for non-invasive detection of gonadotropin releasing homone-receptors in ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2018)
Several studies have demonstrated that MgH2 is a promising conversion-type anode toward Li. A major obstacle is the reversible capacity during cycling. Electrochemical co-existence of a mixed metal hydride-oxide conversion ...
Accelerating Kohn‐Sham response theory using density fitting and the auxiliary‐density‐matrix method
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2018)
An extension of the formulation of the atomic‐orbital‐based response theory of Larsen et al., JCP 113, 8909 (2000) is presented. This new framework has been implemented in LSDalton and allows for the use of Kohn‐Sham ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2018)
Coupled cluster (CC) methods are among the most accurate methods in quantum chemistry. However, the standard CC linear response formulation is not gauge invariant, resulting in errors when modelling properties like optical ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2018)
We develop and test specific coarse-grained models for charged amphiphilic systems such as palmitoyloleoylphosphatidylglycerol (POPG) lipid bilayer and sodium dodecyl sulfate (SDS) surfactant in an aqueous environment, to ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2018)
We propose the first model of a polypeptide chain based on a hybrid-particle field approach. The intramolecular potential is built on a two-bead coarse grain mapping for each amino acid. We employ a combined potential for ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2018)
The isotopic distribution of nuclei produced in the 50Ti + 249Cf reaction has been studied at the gas-filled recoil separator TASCA at GSI Darmstadt, which separates ions according to differences in magnetic rigidity. The ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2018)
Thin film of silicon is an interesting material for many technological applications in electronic industry and in energy harvesting technologies, but requires a method for controlled growth of thin films. The purpose of ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2018)
Ambient air is a core medium for monitoring of persistent organic pollutants (POPs) under the Stockholm Convention and is used in studies of global transports of POPs and their atmospheric sources and source regions. Still, ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2018)
In order to mitigate climate change driven by the observed high levels of carbon dioxide (CO2) in the atmosphere, many micro and nano-porous materials are being investigated for CO2 selectivity, capture and storage (CCS) ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2018)
Magnetically induced current densities and ring-current pathways have been calculated at density functional theory (DFT) and second-order Møller–Plesset perturbation theory (MP2) levels of theory for a set of expanded ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2018)
Cu nanoparticles are known to be very active for methanol (MeOH) synthesis at relatively low temperatures, such that smaller particle sizes yield better MeOH productivity. We aimed to control Cu nanoparticle (NP) size and ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2018)
The topology of twisted molecular rings is characterized by the linking number, which is equal to the sum of the twist—a local property of the molecular frame—and the writhe—a global parameter, which represents the bending ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2018)
Aromatic properties of two recently synthesized dithienothiophene-bridged (DTT) [34]octaphyrins have been investigated by calculating magnetically induced current densities and vertical excitation energies. These intriguing ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2018)
Titanium Silicalite-1 (TS-1), because of its crystalline structure and its well-defined Ti sites, represents the prototype of a single site catalyst. According to this fundamental aspect and to the relevant role of TS-1 ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2018)
Diffusivity on the A- and B-site of polycrystalline perovskite CaMnO3-δ with Ca deficiency and spinel CaMn2O4 (marokite) as a secondary phase was studied using chemical tracers and secondary ion mass spectrometry (SIMS) ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2018)
5,15‐Dioxaporphyrin was synthesized for the first time by a nucleophilic aromatic substitution reaction of a nickel bis(α,α′‐dibromodipyrrin) complex with benzaldoxime, followed by an intramolecular annulation of the ...
(Journal article / Tidsskriftartikkel / SubmittedVersion, 2018)
The capability of coarse-grained models based on the MARTINI mapping to reproduce the gel-liquid phase transition in saturated and unsaturated model lipids was investigated. We found that the model is able to reproduce a ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2018)
Most environmental monitoring programs on organic contaminants, such as persistent organic pollutants (POPs), have a restricted explicit geographical scope, targeting a specific country or region. Such programs often aim ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2018)
nm-Range forces acting between calcite surfaces in water affect macroscopic properties of carbonate rocks and calcite-based granular materials and are significantly influenced by calcite surface recrystallization. We suggest ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2018)
Targeted cancer immunotherapy offers increased efficacy concomitantly with reduced side effects. One antibody with promising clinical potential is 14F7, which specifically recognises the NeuGc GM3 ganglioside. This antigen ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2018)
We describe the mechanism of self-aggregation of α-tocopherol transfer protein into a spherical nanocage employing Monte Carlo simulations. The protein is modeled by a patchy coarse-grained representation, where the ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2018)
In order to adopt water electrolyzers as a main hydrogen production system, it is critical to develop inexpensive and earth-abundant catalysts. Currently, both half-reactions in water splitting depend heavily on noble metal ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2018)
The high resolution near edge X-ray absorption fine structure spectrum of nitrogen displays the vibrational structure of the core-excited states. This makes nitrogen well suited for assessing the accuracy of different ...
(Journal article / Tidsskriftartikkel / SubmittedVersion, 2018)
A computational study on the molecular mechanism of formic acid dehydrogenation in the presence of Cu-amine complex has been carried out in order to shed light on the role of the amine in determining the catalyst activity. ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2018)
Mo/H‐ZSM‐5 has been studied using a combination of operando X‐ray absorption spectroscopy and High Resolution Powder Diffraction in order to study the evolution of Mo species and their location within the zeolite pores. ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2018)
The crystal structure of L-valyl-L-leucine acetonitrile solvate presented here adds to 24 previously reported structures of dipeptides constructed from the five nonpolar amino acids L-alanine, L-valine, L-isoleucine, ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2018)
Transition metal containing polyanion compounds are effective excellent electrode materials for sodium-ion batteries due to their high intrinsic electrochemical potentials and to the resulting high energy density. Iron ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2018)
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2018)
A method for calculating stored magnetic energy in a thin superconducting film based on quantitative magneto-optical imaging is developed. Energy and magnetic moment are determined with these calculations for full hysteresis ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2018)
Fungi and plants do not have an adaptive immune system. Innate immunity serves as their sole defense, often based on carbohydrate recognition by lectins. In a twist of nature, as revealed by Sommer et al. (2018) in this ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2018)
The methanol-to-hydrocarbons (MTH) reaction represents a versatile, industrially viable alternative to crude-oil based processes for the production of chemicals and fuels. In the MTH reaction, the shape selectivity of ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2018)
External non-uniform magnetic fields acting on molecules induce non-collinear spin densities and spin-symmetry breaking. This necessitates a general two-component Pauli spinor representation. In this paper, we report the ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2018)
0metal-alkyl complexes (M = Ti, Zr, and Hf) show specific activity and selectivity in olefin polymerization and oligomerization depending on their ligand set and charge. Here, we show by a combined experimental and ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2018)
We present a kinetic energy tensor that unifies a scalar kinetic energy density commonly used in meta-generalized gradient approximation functionals and the vorticity density that appears in paramagnetic current-density-functional ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2018)
The orbital relaxation attendant on ionization is particularly important for the core electron ionization potential (core IP) of molecules. The Unitary Group Adapted State Universal Coupled Cluster (UGA-SUMRCC) theory, ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2018)
Two series of Zn-ZSM-5 catalysts were prepared by ion exchanging two commercial zeolites with different Si/Al ratios (40 and 15) with increasing Zn loadings. The nature of the Zn sites in the zeolite was studied by ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2018)
The deactivation of zeolite catalyst H-ZSM-5 by coking during the conversion of methanol to hydrocarbons was monitored by high-energy space- and time-resolved operando X-ray diffraction (XRD) . Space resolution was achieved ...
(Journal article / Tidsskriftartikkel / SubmittedVersion, 2018)
In the present study, a series of H-ZSM-22 mesoporous catalysts resulting from three different desilication treatments (NaOH treatment, treatment using mixtures of NaOH/CTAB and using mixtures of NaOH/TBAOH) and sequential ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2018)
Aim: For isolation of exosomes, differential ultracentrifugation and an isolation kit from a major vendor were compared.
Materials & methods: ‘Case study’ exosomes isolated from patient-derived cells from glioblastoma ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2018)
Corynebacterium glutamicum is widely used for the industrial production of amino acids, nucleotides, and vitamins. The shikimate pathway enzymes DAHP synthase (CgDS, Cg2391) and chorismate mutase (CgCM, Cgl0853) play a key ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2018)
We present a generalization of the divide–expand–consolidate (DEC) framework for local coupled-cluster calculations to periodic systems and test it at the second-order Møller–Plesset (MP2) level of theory. For simple model ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2018)
A complete chemical and morphological analysis of the evolution of battery electrode materials can be achieved combining different and complementary techniques. Operando small-angle X-ray scattering (SAXS) and wide-angle ...
(Journal article / Tidsskriftartikkel / SubmittedVersion, 2018)
We review the structural chemistry and reactivity of copper-exchanged molecular sieves with chabazite (CHA) topology, as an industrially applied catalyst in ammonia mediated reduction of harmful nitrogen oxides (NH3-SCR) ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2018)
A detailed account of the Kohn–Sham (KS) algorithm from quantum chemistry, formulated rigorously in the very general setting of convex analysis on Banach spaces, is given here. Starting from a Levy–Lieb-type functional, ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2018)
The San Joaquin Valley (SJV) of California experiences high concentrations of particulate matterNH4NO3during episodes of meteorological stagnation in winter. A rich data set of observations related toNH4NO3formation was ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2018)
East Asia is the strongest global source region for anthropogenic black carbon (BC), the mostimportant light-absorbing aerosol contributing to direct radiative climate forcing. To provide extendedobservational constraints ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2018)
Flavodoxins (Flds) are small, bacterial proteins that transfer electrons to various redox enzymes. Flavodoxins are reduced by ferredoxin/flavodoxin NADP+ oxidoreductases (FNRs), but little is known of the FNR-Fld interaction. ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2018)
Importance of Val567 on heme environment and substrate recognition of neuronal nitric oxide synthase
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2018)
Nitric oxide (NO) produced by mammalian nitric oxide synthases (mNOSs) is an important mediator in a variety of physiological functions. Crystal structures of mNOSs have shown strong conservation of the active‐site residue ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2018)
We herein report inter-diffusion across the interface between p-type Ni0.98Li0.02O and n-type Zn0.98Al0.02O for various applications including p-n-heterojunction diodes and oxide thermoelectrics. Diffusion couples were ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
Thermal evolution of the Fe2+–Fe3+ valence mixing in YBaFe2O5 is investigated using Mössbauer spectroscopy. In this high-spin double-cell perovskite, the d6 and d5 Fe states differ by the single minority-spin electron which ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
Cyclic volatile methylsiloxanes (cVMS) are used in personal care products and emitted to aquatic environments through wastewater effluents, and their bioaccumulation potential is debated. Here, a new bentho-pelagic version ...
(Journal article / Tidsskriftartikkel / SubmittedVersion, 2017)
Molecular dynamics simulations (dissipative particle dynamics–DPD) were developed and used to quantify wall-normal migration of polymer chains in microchannel Poseuille flow. Crossflow migration due to viscous interaction ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
The Schlenk equilibrium is a complex reaction governing the presence of multiple chemical species in solution of Grignard reagents. The full characterization at the molecular level of the transformation of CH3MgCl into ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
Fluorescence polarization (FP) is a highly regarded technique for studying drug–protein interactions, but has limited value regarding protein mixtures. As a novel approach to drug target discovery, the possibility of ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
PSL1a is a lectin from the mushroom Polyporus squamosus that binds to sialylated glycans and glycoconjugates with high specificity and selectivity. In addition to its N-terminal carbohydrate-binding domain, PSL1a possesses ...
Inner projection techniques for the low-cost handling of two-electron integrals in quantum chemistry
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2017)
The density-fitting technique for approximating electron-repulsion integrals relies on the quality of auxiliary basis sets. These are commonly obtained through data fitting, an approach that presents some shortcomings. On ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
A PTR-QiTOF instrument was deployed in the field in the vicinity of the CO2 Technology Center Mongstad (TCM) for measuring amines in ambient air. The observed single-to-double-digit pptv levels of dimethylamine (DMA) and ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
Wildfires emit significant amounts of pollutants that degrade air quality. Plumes from three wildfires in the western U.S. were measured from aircraft during the Studies of Emissions and Atmospheric Composition, Clouds and ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
The atmospheric chemistry of (CH3)3CNH2 (tert-butylamine, tBA) and (CH3)2(CH2OH)CNH2 (2-amino-2-methyl-1-propanol, AMP) has been studied by quantum chemistry methods and in photo-oxidation experiments in the EUPHORE chamber ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2017)
KBaPO4 – recently reported to hydrate in steam at 80°C into a novel low-temperature protonic conductor – was synthesized by a solid state reaction and its electrical properties characterized by impedance spectroscopy. At ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
Transport is a key parameter in air quality research and plays a dominant role in the Colorado Northern Front Range Metropolitan Area (NFRMA), where terrain-induced flows and recirculation patterns can lead to vigorous ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
Land and atmospheric initial conditions of the Weather Research and Forecasting (WRF) model are often interpolated from a different model output. We perform case studies during NASA's SEAC4RS and DISCOVER-AQ Houston airborne ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
Chemical models must correctly calculate the ozone formation rate, P(O3), to accurately predict ozone levels and to test mitigation strategies. However, air quality models can have large uncertainties in P(O3) calculations, ...