Materials with pores of controlled size and connectivity are of fundamental importance in chemical industry and research. The pores in microporous materials, which have the same dimensions as individual molecules, can be ...

The capture and storage of solar energy in chemical form by a photoelectrochemical (PEC) cell is an elegant and simple solution to the increasing energy demands and needs for chemicals and fuels from non-fossil sources. ...

This dissertation aims to study methods of speciation and extraction of metals in industrial solutions. the metals studied has low concentration relative to the main product in the industrial solution. The result is species ...

In vitro derived simplified 3D representations of human organs or organ functionalities are predicted to play a major role in disease modeling, drug development, and personalized medicine, as they complement traditional ...

The increased expression of gonadotropin releasing hormone receptor (GnRH‐R) in brain has been strongly linked to Alzheimer disease. Therefore, the development of radiolabeled imaging agents for GnRH‐R is relevant for early ...

A highly asymmetric AuIII η3‐allyl complex has been generated by treating Au(η1‐allyl)Br(tpy) (tpy=2‐(p‐tolyl)pyridine) with AgNTf2. The resulting η3‐allyl complex has been characterized by NMR spectroscopy and X‐ray ...

Even though production and open use of polychlorinated biphenyls (PCBs) have been phased out in Western industrialised countries since the 1980s, PCBs were still present in waste collected from different waste handling ...

System xc‐ (Sxc‐) has emerged as a new biological target for PET studies to detect oxidative and excitotoxic stress. Notably, applications have, thus far, been limited to tumour imaging although Sxc‐) may play a major role ...

The work described in this thesis focused on developing a method to synthesise a variety of organic molecules with imidazophenanthridine or pyrrolophenanthridine ring structures. These are complex structures with previously ...

We investigate the numerical stability of time-dependent coupled-cluster theory for many-electron dynamics in intense laser pulses, comparing two coupled-cluster formulations with full configuration interaction theory. Our ...

Carbon capture and storage is suggested as one of the solutions to reduce CO2 emissions. Material choice is an important part for the total cost of the transport system for CO2. The present work comprises investigations ...

This dissertation aims at advancing the capability of hybrid particle-field simulations of representing various physical phenomena relevant to biological systems. While hybrid particle-field simulations are computationally ...

Lanthanum doped strontium titanate is a potential n-type thermoelectric material at moderate and high temperatures. (La0.12Sr0.88)0.95TiO3 ceramics were prepared by two different routes, conventional sintering at 1500 °C ...

We present an investigation of the convergence behaviour of the local second-order Møller-Plesset perturbation theory (MP2) correlation energy toward the canonical result for three insulating crystals with either projected ...

Dissolved natural organic matter (DNOM) is a complex mixture of heterogeneous organic macromolecules that are formed in the environment, mainly by decay of plant and animal remains. All freshwaters contain a certain amount ...

Polymer micelles can be used in pharmaceuticals, detergents, cosmetics and have a potential for drug delivery systems. In many applications of polymeric micelles, there are also surfactant molecules present. Still, it is ...

A series of zeolite ZSM-23 samples prepared with different organic structure-directing agents, gave rise to crystalline phases, which show a large variety of particle dimensions. A detailed analysis of the structure of ...

This thesis focus on the research of the new and scarcely explored material class oxyhydrides, where the anionic lattice consists of both oxide and hydride anions. Selected oxyhydrides described by the formula La2‑xNdxLiHO3 ...

A series of molybdenum pincer complexes has been shown for the first time to be active in the catalytic hydrogenation of amides. Among the tested catalysts, Mo-1a proved to be particularly well suited for the selective C–N ...

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, ...

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 ...

The conversion of methanol to olefins reaction has been tested over synthesized and commercial SAPO-11, where the supplied and synthesized materials inhibit different morphology, surface area, and acid sites density. The ...

Organoids and organ-on-a-chip (OoC) are human-induced pluripotent stem cell-derived miniaturized organs that recapitulate organ specific functions. They open up a plethora of opportunities to change the way we test drugs, ...

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 ...

(+)-N6-Hydroxyagelasine D, the enantiomer of the proposed structure of (–)-ageloxime D, as well as N6-hydroxyagelasine analogs were synthesized by selective N-7 alkylation of N6-[tert-butyl(dimethyl)silyloxy]-9-methyl-9H ...

The interest in organogold chemistry has increased rapidly during the last 20-30 years, and nowadays there are numerous research group across the world working with gold and its rich chemistry. Au(I) complexes have been ...

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 ...

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 ...

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 ...

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 ...

We present a convenient method to form a bottom-up structural organelle model for the endoplasmic reticulum (ER). The model consists of highly dense lipidic nanotubes that are, in terms of morphology and dynamics, reminiscent ...

In this work a simple model for biological CO₂-fixation by RuBisCO has been studied where the usual C₅-substrate has been replaced by the C₂-carbohydrate glycolaldehyde in its deprotonated form which is the simplest ion ...

A challenge in drug discovery is the identification of the drug target, called drug deconvolution. Additionally, off-target effects are considered as one of the reasons many developed drugs fail in the clinical trials. The ...

Praktisk gjennomføring av kromatografi i videregående skole blir vanligvis gjort ved at elevene får gjennomføre papir- eller tynnsjiktkromatografi. Med økt tilgang på billige gasskromatografer til undervisningsformål bør ...

Functionalization of metal-organic frameworks (MOFs) with noble metals is a promising way for producing new versatile catalysts that will combine the outstanding porosity and specific surface area of MOFs with high catalytic ...

A selective sampling procedure is applied to reduce the number of density functional theory calculations needed to find energetically favorable grain boundary structures. The procedure is based on a machine learning algorithm ...

We have developed the first atomic layer deposition (ALD) processes for thin films of iron in a +2 oxidation state (Fe2+), as well as nickel titanate (NiTiO3). These materials are important for the understanding and ...

Bimetallic nanocatalysts are key enablers of current chemical technologies, including car exhaust converters and fuel cells, and play a crucial role in industry to promote a wide range of chemical reactions. However, owing ...

Non-alcoholic fatty liver disease (NAFLD) is a very common indication for liver transplantation. How fat-rich diets promote progression from fatty liver to more damaging inflammatory and fibrotic stages is poorly understood. ...

Background: The opioid analgesic fentanyl and its analogues pose a major health concern due to its high potency and the increasing number of overdose deaths worldwide. The analogues of fentanyl may differ in potency, ...

The successful synthesis of metal−organic framework (MOF) compounds relies on an intricate interplay between the components of the synthesis liquor at the given synthesis conditions. Herein, we explore the interdependence ...

The exact Kohn-Sham iteration of generalized density-functional theory in finite dimensions with a Moreau-Yosida regularized universal Lieb functional and an adaptive damping step is shown to converge to the correct ...

When exposed to steam, zeolite catalysts are irreversibly deactivated by loss of acidity and framework degradation caused by dealumination. Steaming typically occurs at elevated temperatures, making it challenging to ...

A novel cellular automaton (CA) for simulating biological membrane rupture is proposed. Constructed via simple rules governing deformation, tension, and fracture, the CA incorporates ideas from standard percolation models ...

We apply a high-resolution chemical transport model (GEOS-Chem CTM) with updated treatment of volatile organic compounds (VOCs) and a comprehensive suite of airborne datasets over North America to (i) characterize the VOC ...

The formulation of the time-dependent Schrödinger equation in terms of coupled-cluster theory is outlined, with emphasis on the bivariational framework and its classical Hamiltonian structure. An indefinite inner product ...

Potassium sodium niobate (KNN) has long been considered a viable candidate for replacing lead‐based materials in piezo‐ and ferroelectric devices. The introduction of KNN on an industrial scale is highly awaited; however, ...

The sorbent enhanced water-gas shift (SEWGS) process has great potential for CO2 capture and is thereby a realistic alternative to conventional post-combustion capture by gas emission scrubbing. Nevertheless, better ...

C–H activation reactions are generally associated with relatively low turnover numbers (TONs) and high catalyst concentrations due to a combination of low catalyst stability and activity, highlighting the need for recyclable ...

Mineral inclusions are common and have been widely used to investigate complex geological history. When a rock undergoes cooling and decompression after the entrapment of an inclusion into a host mineral, residual pressure ...

Many laboratory courses consist of short and seemingly unconnected individual laboratory exercises. To increase the course consistency, relevance, and student engagement, we have developed a research‐inspired and project‐based ...

n quantum chemistry, one of the most important challenges is the static correlation problem when solving the electronic Schrödinger equation for molecules in the Born--Oppenheimer approximation. In this article, we analyze ...

The partial vibrational density of states (pVDOS) of ice Ih, as simulated by first principle modeling based on density functional theory (DFT), is utilized for computing the Cartesian components of the proton and oxygen ...

In recent years, the scientific community has shown an increasing interest in regards to the investigation of novel materials for the intercalation of lithium atoms, suitable for application as cathodes in the new generations ...

Oxysterols can contribute to proliferation of breast cancer through activation of the Estrogen Receptors, and to metastasis through activation of the Liver X Receptors. Endogenous levels of both esterified and free ...

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 ...

We apply inline electron holography to investigate the electrostatic potential across an individual BaZr0.9Y0.1O3 grain boundary. With holography, we measure a grain boundary potential of −1.3 V. Electron energy loss ...

The self‐assembly process in aqueous solutions of the methoxyl‐poly(ethylene glycol)‐block ‐poly(2‐acrylamido‐2‐methyl‐1‐propanesulfonic sodium)‐block ‐poly(N ‐isopropyl acrylamide) (PNIPAAM) triblock copolymer, synthesized ...

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 ...

We investigated the interactions between styrene–maleic acid (SMA) copolymers and phospholipid bilayers, using confocal microscopy and surface acoustic wave resonance (SAR) sensing. For the first time we experimentally ...

The Coupled-Cluster (CC) theory is one of the most successful high precision methods used to solve the stationary Schrödinger equation. In this article, we address the mathematical foundation of this theory with focus on ...

N‐methyl‐d‐aspartate receptors (NMDAR) are widely expressed in the brain. GluN2B subunit‐containing NMDARs has recently attracted significant attention as potential pharmacological targets, with emphasis on the functional ...

The current study extends the insight into solid-state diffusion in alloys of the Platinum Group Metals (PGMs). Thereby, we pave the way for tailor making surface compositions of binary platinum (Pt) – rhodium (Rh) model ...

Phosphoramides are an interesting alternative to the thiourea motif that has long been used in organocatalysis. In the R1N(H)-P(O)(R3)-N(H)R2 formulation, phosphoramides give the advantage of having a third variable ...

We have investigated how layered structures of TiO2 and Eu2O3 on the subnanometer scale control the optical absorption, energy transfer, emission and quenching mechanisms in sensitized lanthanide luminescence systems. By ...

Diarrhea caused by enterotoxigenic Escherichia coli (ETEC) is one of the leading causes of mortality in children under five years of age and is a great burden on developing countries. The major virulence factor of the ...

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 ...

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 ...

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 ...

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 ...

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 ...

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 ...

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, ...

NiO and ZnO are a pair of p- and n-type wide band gap metal oxide semiconductors that forms a partially soluble system with each other. Due to these properties, they are considered a potential semiconductor pair for the ...

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 ...

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 ...

A regioselective method for the N3-arylation of hydantoins is investigated. It constitutes an important development complementing classical cyclization strategies. This method involves a Cu-catalyzed boronic acid mediated ...

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 ...

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 ...

Black TiO2 has emerged as one of the most promising photocatalysts recently discovered. The reason behind its catalytic activity is considered to be due to the presence of defects and Ti3+ species at the surface of black ...

Quinolones are a class of synthetic compounds that are used as antibacterial agents since their discovery in the 1960s. Their chemical synthesis has mostly been based on ring-closing reactions, for instance the Gould-Jacobs ...

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 ...

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 ...

Two of the biggest challenges for the world today are the global warming, partly resulting from the increased CO2 emissions, and the need of new energy sources due to an increasing world population and the necessary ...

This thesis has got two parts within the common theme of Diels-Alder reactions. One part starts with the group of natural products called asmarines. These compounds, which were found in the red sea sponges, were believed ...

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 ...