Sökning: "hydrogen abstraction"

Visar resultat 1 - 5 av 22 avhandlingar innehållade orden hydrogen abstraction.

  1. 1. Lean NOx reduction with methanol over supported silver catalysts

    Författare :Marika Männikkö; Chalmers tekniska högskola; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; lean NOx reduction; SCR; silver species; silver alumina; methanol; hydrogen; silver ZSM-5;

    Sammanfattning : The oxygen rich and relatively cold exhaust gases from fuel-efficient combustion engines bring challenges for the reductive aftertreatment of NOx. In this context selective catalytic reduction over silver/alumina has shown positive results, especially with oxygenated reducing agents. LÄS MER

  3. 2. Modeling DNA Damage

    Författare :Patric Schyman; Aatto Laaksonen; Sason Shaik; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; DNA; Ionizing radiation; DNA radicals; Strand break; Hydrogen abstraction; Density Functional Theory; Car-Parrinello Molecular Dynamics; QM MM; Physical chemistry; Fysikalisk kemi; Physical Chemistry; fysikalisk kemi;

    Sammanfattning : In this thesis methods of computational chemistry have been used to examine DNA damaging processes initiated by ionizing radiation, free radicals, or Low-Energy Electrons (LEE). The computational chemistry method based on quantum mechanics that has been mainly used here is the Density Functional Theory (DFT). LÄS MER

  4. 3. Quantum Chemical Studies of Radical Cation Rearrangement, Radical Carbonylation, and Homolytic Substitution Reactions

    Författare :Daniel Norberg; Nessima Salhi-Benachenhou; Sten Lunell; Tim Clark; Uppsala universitet; []
    Nyckelord :Quantum chemistry; quantum chemistry; coupled-cluster; density functional theory; meta-GGA; reaction mechanism; potential energy surface; isomerization; fragmentation; dissociation; condensation; addition; SH2; hydrogen abstraction; iodine atom transfer; complex; weakly interacting system; hyperfine coupling constant; Kvantkemi;

    Sammanfattning : Quantum chemical calculations have been performed to investigate radical cation rearrangement, radical carbonylation, and homolytic substitution reactions of organic molecules. The rearrangement of the bicyclopropylidiene radical cation to the tetramethyleneethane radical cation is predicted to proceed with stepwise disrotatory opening of the two rings. LÄS MER

  5. 4. DNA-Photosensitization by New Drugs for Photoinactivation of Viruses and Phototherapy of Tumors

    Författare :Claire Kanony; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; 7; hydroxyl radicals; singlet oxygen; 8-dihydro-8-oxo-deoxyguanosine; pyropheophorbides; electron transfer; DNA damage; hydrogen abstraction; cyanine dyes;

    Sammanfattning : Cyanines and pyropheophorbides are two classes of photoactivable dyes which are particularly interesting for photosterilization of blood used in transfusion and for treatment of localised cancers by photodynamic therapy (PDT). After a bibliographic review about the principal mechanisms of DNA photosensitization, studies about the photosensitizing properties of these two families of compounds are presented. LÄS MER

  7. 5. Experimental studies of kinetic solvent deuterium isotope effects on proton abstraction in alcohol solution

    Författare :Jan-Olof Levin; Umeå universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES;

    Sammanfattning : The present dissertation is an account based on investigations published in the following papers:I. JAN-OLGF LEVIN and CHRISTOFFER RAPPE, Solvent Deuterium Isotope Effects in Alcohols. I. Racemization of Phenyl2,2-Diphenylcyclopropyl Ketone, 3-Nethyl-4-phenyl-2-butanone and 2-Nethyl-1-indanone. LÄS MER