The identification and quantification of defects are undoubtedly thorough challenges in the characterization of “defect-engineered” metal–organic frameworks (MOFs). UiO-66, known for its exceptional stability and defect ...

Abstract The use of active pharmaceutical ingredients (APIs) is increasing continuously and thereby constitutes a potential source of surface water contamination. Environmental concentrations of APIs are usually at trace ...

The use of technology in education (so-called e-learning) has seen a rapid development over the last decades. From being small systems that might assist lectures it has developed into systems that could potentially replace ...

This PhD thesis deeply analyzes the mechanistic and kinetic behavior of methanol and dimethyl ether (DME) in the industrially relevant Methanol-To-Hydrocarbons (MTH) reaction, which employs zeolitic materials as catalysts. ...

Amine-based CO2 capture has been suggested as a way to mitigate global warming. This project aims to improve the understanding of the atmospheric photo-oxidation of two of the simplest imines by OH radicals. Laboratory ...

Magnetizabilities and magnetically induced ring-current strength susceptibilities have been calculated at the Hartree–Fock, density functional theory and second order Møller–Plesset levels for a number of antiaromatic ...

Planar metal-supported cell designs provide cost-effective scaling-up of solid oxide fuel cells and electrolysers. Here, we report on the fabrication of a BaZr0.85Y0.15O3−δ–NiO (BZY15–NiO) composite electrode and ...

Chorismate mutase is a well‐known model enzyme, catalyzing the Claisen rearrangement of chorismate to prephenate. Recent high‐resolution crystal structures along the reaction coordinate of this enzyme enabled computational ...

Resistance to chemotherapy and/or radiotherapy limits the effectiveness of cancer treatment. One factor that can contribute to resistance is the process of DNA repair. Among the different DNA repair pathways, the base ...

Oxidation state (OS) is defined using ionic approximation of bonds. Two principal algorithms are outlined for OS determination in a chemical compound described by a Lewis formula or bond graph. Typical origins of ambiguous ...

In miniaturized liquid chromatography (LC) an online clean up system and/or pre-concentration step, is essential to increase large loading capacity, loading speed could be used so the analysis is faster, and it is more ...

The cytochrome P450 enzyme, CYP27a1, converts cholesterol into 27-hydroxycholesterol, and both the metabolite and the enzyme are associated with breast cancer, promoting proliferation and metastasis. CYP27A1 is enriched ...

The main topics of this thesis are the surface kinetics and bulk diffusion of oxygen in Ba(1-x)Gd0.8La(0.2+x)Co2O(6-d) (BGLC). Previous work has identified BGLC as very promising electrode material for SOFC’s and electrolyzers. ...

Cholera is the prime example of blood-group-dependent diseases, with individuals of blood group O experiencing the most severe symptoms. The cholera toxin is the main suspect to cause this relationship. We report the ...

Lakes and rivers are the main sources of drinking water in Nordic countries. For aesthetic and hygienic reasons high concentration levels of dissolved natural organic matter (DNOM) are not acceptable in drinking water. An ...

The structure, thickness and characteristics of liquid chromatography (LC) column materials are central factors regarding their performance. However, miniaturized capillaries (sub 20.0 μm inner diameter, typically used for ...

The combination of solar energy and water splitting hydrogen production results in a feasible, prospective energy conversion and storage process—photoelectrochemical (PEC) water splitting. In this work, an all-solid-state ...

Liquid chromatography-mass spectrometry (LC-MS) approaches for measurement of biomarkers are increasing in popularity due to the selectivity and sensitivity. To match the detection limits of the immunoassay approaches (such ...

The neuropeptide oxytocin (OT) is associated with a plethora of social behaviors, and is a key topic at the intersection of psychology and biology. However, tools for measuring OT are still not fully developed. We describe ...

3'-Phosphoadenosine-5'-phosphosulfate (PAPS) is the universal donor of sulfate to sulfotransferases, a large group of enzymes that transfer sulfate to various molecules in the sulfation pathway. Methods that have been ...

Elevated concentrations of various industrial-use persistent organic pollutants (POPs), such as polychlorinated biphenyls (PCBs), have been reported in some developing areas in sub-tropical and tropical regions known to ...

Papain-like cysteine proteases (PLCPs) constitute the largest group of thiol-based protein degrading enzymes and are characterized by a highly conserved fold. They are found in bacteria, viruses, plants and animals and ...

ABSTRACT In recent years, the physical and chemical properties of hydrophilic surfaces been exploited in a number of novel applications. Especially, amphoteric membranes were the focus of many theoretical studies since ...

The electromagnetic structure of Sm140 was studied in a low-energy Coulomb excitation experiment with a radioactive ion beam from the REX-ISOLDE facility at CERN. The 2+ and 4+ states of the ground-state band and a second ...

Active regions (ARs) appearing on the surface of the Sun are classified into α, β, γ, and δ by the rules of the Mount Wilson Observatory, California on the basis of their topological complexity. Amongst these, the δ sunspots ...

Differentiating chemical and thermal expansion is virtually impossible to achieve experimentally. While thermal expansion stems from a softening of the phonon spectra, chemical expansion depends on the chemical composition ...

In this contribution, we determine the compositional dependence of the chemical expansion and entropy of hydration of the proton conducting perovskites BaZrO3, BaSnO3, BaCeO3, and SrZrO3 by first principles phonon calculations. ...

In the present contribution, we assess the efficiency of the alkali metals (Na, K, Rb and Cs) as A-site acceptor dopants in proton conducting BaZrO3 by first principles calculations. The calculated acceptor–proton complexes ...

The development of new materials for the consolidation of waterlogged archaeological wood from sustainable sources is an important area of research, as the most widely used consolidant today is petroleum based. Ideally a ...

Background Optimizing resuscitation is important to prevent morbidity and mortality from perinatal asphyxia. The metabolism of cells and tissues is severely disturbed during asphyxia and resuscitation, and metabolomic ...

A glutathione (GSH) adduct of the mycotoxin 4-deoxynivalenol (DON), together with a range of related conjugates, has recently been tentatively identified by LC-MS of DON-treated wheat spikelets. In this study, we prepared ...

Interference with bacterial quorum sensing communication provides an anti-virulence strategy to control pathogenic bacteria. Here, using the Enteropathogenic E. coli (EPEC) O103:H2, we showed for the first time that ...

Thin films of complex alkali oxides are frequently investigated due to the large range of electric effects that are found in this class of materials. Their piezo- and ferroelectric properties also place them as sustainable ...

The Ruddlesden–Popper (RP3) type oxides, La4Co3O10+δ and La4Ni3O10+δ, form a complete solid solution. Powder X-ray and neutron diffraction data show that La4(Co1−xNix)3O10+δ is isostructural to the monoclinic La4Co3O10+δ ...

Det er den organiske formen av kvikksølv, metylkvikksølv, som står i sentrum for kvikksølvforskningen. Metylkvikksølv anrikes opp gjennom næringskjedene, så selv om vannet ikke inneholder mye kvikksølv kan fisk allikevel ...

Energy demand and emissions of greenhouse gases are increasing. The use of renewable energy such as solar energy, hydro power and wind power can help mitigate further emissions. Transparent conducting oxides (TCO’s) are ...

Oxysterols in biological samples of limited size are present in low concentrations thus sensitive methods are advantageous. Derivatization of oxysterols prior to liquid chromatography (LC) mass spectrometry (MS) analysis ...

Mathematical models are investigated and suggested for the calculation of the elastic stiffness of polymer nanocomposites. Particular emphasis is placed on the effect on the elastic stiffness from agglomerates and the ...

Poly(styrene co-divinylbenzene) (PS-DVB) monolithic pre-columns of 50 μm inner diameter (ID) were developed for peptides and small molecules enrichment intended for use in automated miniaturized liquid chromatography-mass ...

Neurons communicate via chemical signals called neurotransmitters (NTs). The numerous identified NTs can have very different physiochemical properties (solubility, charge, size etc.), so quantification of the various NT ...

We used multiple sets of simulations both at the atomistic and coarse-grained level of resolution to investigate interaction and binding of α-tochoperol transfer protein (α-TTP) to phosphatidylinositol phosphate lipids ...

Tynne filmar av eit materiale som kan leie straum godt, vere kjemisk inert og spegle varmestråling godt er, i alle fall med ALD, i dag ikkje mogleg. Arbeidet i denne oppgåva har som hovudtema å undersøke om ein serie med ...

Masteroppgaven er en undersøkelse som ble gjort i forbindelse med 65.000 kjemisett som ble laget for å markere 150 års jubileet for massevirkningsloven. Massevirkningsloven ble framsatt av to unge, lovende forskere Cato ...

Naturproduktet myxin er et potensielt nytt legemiddel mot akutt myelogen leukemi (AML). Myxin er praktisk talt uløselig i vann, og frem til idag er det ikke rapportert noen effektiv syntese av dette naturproduktet. En ...

The interest in organogold compounds has seen a great development during the last years. Gold(III) complexes are investigated as potential anti-cancer drugs and homogeneous catalysts for organic transformations. Nucleophilic ...

The carbon dioxide (CO2) concentration in the atmosphere has increased dramatically over the last century, and much of this increase is a direct consequence of human activities. Being a greenhouse gas, CO2 significantly ...

Amine-based CO2 capture has been proposed as a way of mitigating climate change. In this work, the fundamental processes governing the atmospheric gas phase chemistry of amines released from CO2 capture have been studiedusing ...

The human 8-oxoguanine DNA glycosylase OGG1 is involved in base excision repair (BER), one of several DNA repair mechanisms that may counteract the effects of chemo- and radiation therapy for the treatment of cancer. We ...

The reactions of OH radicals with CH3NHCHO (N-methylformamide, MF) and (CH3)2NCHO (N,N-dimethylformamide, DMF) have been studied by experimental and computational methods. Rate coefficients were determined as a function ...

In this thesis we explore several physics scenarios based on the Minimal Supersymmetric Standard Model (MSSM) and its extension in terms of Rparity violation. We derive predictions for, and analyse results from, the ongoing ...

Small amounts of amines are emitted with the flue gas from amine based carbon capture plants. The amines atmospheric degradation have been studied in detail. The environmental impact of the degradation products, e.g. the ...

In this study, the 1,1'-binaphthyl-4,4'-dicarboxylic acid (BNDC) linker has been synthesized by six-step synthesis route in five gram level. Meanwhile, a four-step synthesis route was also explored in a milligram scale. ...

The simplicity of dielectric continuum models has made them a standard tool in almost any Quantum Chemistry (QC) package. Despite being intuitive from a physical point of view, the actual electrostatic problem at the cavity ...

Improvements in performance of lithium ion batteries (LIB) depend on further developments of the electroactive materials, specially the cathode. Many different classes of materials have been investigated as possible cathode ...

This article reports the creation of tomographic reconstructions giving three-dimensional data on the distribution of various structural features for SAPO-34 zeolite catalyst beds used in the commercially important methanol ...

Electromagnetic transition strengths and spectroscopic quadrupole moments for 140Sm were measured by means of multi-step Coulomb excitation with radioactive beam at the ISOLDE facility at CERN. A complementary experiment ...

Intercalation of Ba in β-FeSe by ammonothermal synthesis results in the formation of different superconducting phases with interlayer distance ranging between 8.4 and 13.1 Å. The values of Tc are primarily dependent on Ba ...

Long-term laborious and thus costly monitoring of phosphorus (P) fractions is required in order to provide reasonable estimates of the levels of bioavailable phosphorus for eutrophication studies. A practical solution to ...

Complete active space self-consistent field (CASSCF) wavefunctions and an orbital entanglement analysis obtained from a density-matrix renormalisation group (DMRG) calculation are used to understand the electronic structure, ...

The synthesis of Zr-MOFs under green, industrially feasible conditions was investigated. Two new compounds with bcu-topology and the fluorinated analogue of UiO-66 exhibiting fcu-topology were obtained and characterised. ...

Chemical weathering is a fundamental geochemical process regulating the atmosphere-land-ocean fluxes and earth’s climate. It is under natural conditions driven primarily by weak carbonic acid that originates from atmosphere ...

In this paper, an alternative method to range-separated linear-response time-dependent density-functional theory and perturbation theory is proposed to improve the estimation of the energies of a physical system from the ...

Vacancy-mediated migration of Al in single-crystal zinc oxide (ZnO) is investigated using secondary-ion mass spectrometry (SIMS) combined with hybrid density-functional theory (DFT) calculations. A thin film of Al-doped ...

The literature compound 3[beta]-hy­droxy-bis­nor-5-cholenic aldehyde is an important inter­mediate for the synthesis of new modulators of the nuclear oxysterol receptor Liver X. As part of our ongoing search for new LXR ...

Most of China’s surface waters are undergoing anthropogenic eutrophication, mainly due to leaching of phosphorus (P) from both sewage and agriculture. This is causing quality deterioration in their scarce water resources. ...

The choice of acceptor has been demonstrated to result in distinctly different hydration properties in proton conducting perovskites such as BaZrO3 and BaCeO3 and may as such have significant implications for their proton ...

Conjugation of deoxynivalenol (DON) with sulfur compounds is recognized as a significant reaction pathway, and putative DON–glutathione (DON–GSH) conjugates have been reported in planta. To understand and control the ...

The total level of phosphorus (P) and the distribution of P pools in the topsoil are significantly affected by the excessive application of mineral and organic fertilizers connected with intensive agriculture. This leads ...

8-Substituted purines have been extensively studied as for example anticancer or antiviral drugs. C-C Bond formation at the purine 8-position has been most commonly done via 8-halopurines, e.g. Pd-catalyzed coupling ...

Iodinin er en forbindelse av interesse innen kreftforskning. Forbindelsen viser lovende aktivitet mot leukemi, og lav toksisitet. En totalsyntese av iodinin med gode utbytter er ikke beskrevet i litteraturen. Et mål med ...

Zeolites are crystalline aluminosilicates that are widely used as shape-selective catalysts in the refinery and petrochemical industries. By synthesizing a series of structurally related zeolite catalyst and applying them ...