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Showing result 1 - 5 of 9 swedish dissertations matching the above criteria.

2. 1. Ghost in the shell : Studies on subsurface oxygen in oxide-derived copper nanocube catalysts

   Author : Liu Chang; Lars Pettersson; Anders Nilsson; Tore Brinck; Stockholms universitet; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; teoretisk fysik; Theoretical Physics;

   Abstract : With the passage of time and the advancement of our industrial civilization, environmental concerns have become more and more recognized since the 1990s. Carbon dioxide reduction reactions are capable of converting carbon dioxide into valuable hydrocarbons and reducing the carbon emission from the combustion of fossil fuels. READ MORE

4. 2. 5-Aminolevulinic acid and derivatives thereof : properties, lipid permeability and enzymatic reactions

   Author : Edvin Erdtman; Leif Eriksson; Tore Brinck; Örebro universitet; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; 5-Aminolevulinic acid; tautomerization; PDT; DFT; MM; QM MM; Porphobilinogen synthase; Uroporphyrinogen III decarboxylase; membrane penetration; enzyme mechanism; Biophysical chemistry; Biofysikalisk kemi; Quantum chemistry; Kvantkemi; Theoretical chemistry; Teoretisk kemi; Fysikalisk kemi; Physical Chemistry; Biochemistry; Biokemi;

   Abstract : 5-aminolevulinic acid (5-ALA) and derivatives thereof are widely usedprodrugs in treatment of pre-malignant skin diseases of the cancer treatmentmethod photodynamic therapy (PDT). The target molecule in 5-ALAPDTis protoporphyrin IX (PpIX), which is synthesized endogenously from5-ALA via the heme pathway in the cell. READ MORE

5. 3. Computational Studies of Chemical Interactions: Molecules, Surfaces and Copper Corrosion

   Author : Joakim Halldin Stenlid; Tore Brinck; Thomas Bligaard; KTH; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; computational chemistry; density functional theory; chemical interactions; reactivity descriptors; copper corrosion; surface and materials science; nucleophilic substitution reactions; heterogeneous catalysis; transition metal oxides; nanotechnology; beräkningskemi; täthetsfunktionalteori; kemiska interaktioner; reaktivitetsdeskriptorer; kopparkorrosion; yt- och materialvetenskap; nukleofila substitutionsreaktioner; heterogen katalys; överångsmetalloxider; nanoteknologi; Kemi; Chemistry;

   Abstract : The chemical bond – a corner stone in science and a prerequisite for life – is the focus of this thesis. Fundamental and applied aspects of chemical bonding are covered including the development of new computational methods for the characterization and rationalization of chemical interactions. READ MORE

6. 4. Biomimetic Membranes: : Molecular Structure and Stability Studies by Vibrational Sum Frequency Spectroscopy

   Author : Jonathan F.D. Liljeblad; Mark W. Rutland; Magnus C. Johnson; Tore Brinck; Lars Kloo; KTH; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; Vibrational Sum Frequency Spectroscopy VSFS ; Langmuir monolayer; LB depositon; phospholipids; oxidation; biomimetic membranes; Surface and colloid chemistry; Yt- och kolloidkemi;

   Abstract : In the research presented in this licentiate thesis the surface specific technique Vibrational Sum Frequency Spectroscopy, VSFS, combined with the Langmuir trough has been utilized to investigate Langmuir monolayers and Langmuir-Blodgett (LB) deposited mono- and bilayers of phospholipids. Their molecular structure, stability, and hydration were probed to gain additional understanding of important properties aiming at facilitating the use of such layers as model systems for biological membranes. READ MORE

7. 5. Quantum Chemical Studies of Aromatic Substitution Reactions

   Author : Magnus Liljenberg; Tore Brinck; Leif Eriksson; KTH; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; Teoretisk kemi och biologi; Theoretical Chemistry and Biology;

   Abstract : In this thesis, density functional theory (DFT) is used to investigate the mechanisms and reactivities of electrophilic and nucleophilic aromatic substitution reactions (SEAr and SNAr respectively). For SEAr, the σ-complex intermediate is preceded by one (halogenation) or two (nitration) π-complex intermediates. READ MORE