Sökning: "activation density"

Visar resultat 1 - 5 av 227 avhandlingar innehållade orden activation density.

  1. 1. Quantum Chemical Studies of Chemotherapeutic Drug Cisplatin : Activation and Binding to DNA

    Författare :Johan Raber; David van der Spoel; Paolo Carloni; Uppsala universitet; []
    Nyckelord :Quantum chemistry; cisplatin; quantum chemistry; DNA; density functional theory; activation; JM118; substitution reaction; Platinum; guanine; adenine; cytostatic drug; aquation; anation; activation; Kvantkemi;

    Sammanfattning : The serendipitous discovery of the potent cytotoxic properties of cisplatin brought about a revolution in the treatment of certain types of cancer, but almost fifty years later, there still remain unknown areas in the chemistry of cisplatin. There are questions regarding which form of the drug reaches its DNA target, or why certain DNA sequences are more preferred than others for reaction with cisplatin. LÄS MER

  2. 2. Metallacyclic Phosphine Complexes and Intramolecular Csp3-H Bond Activation -Synthesis, Characterisation and Catalytic Application

    Författare :Sven Sjövall; Kemiska institutionen; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; catalysis; Heck; diphosphite; diphosphine; phosphine; cyclometallation; C-C activation; C-O activation; C-H activation; palladium; rhodium; iridium; Inorganic chemistry; Oorganisk kemi;

    Sammanfattning : The work presented in this thesis deals with metallacyclic late transition metal complexes, obtained by intramolecular Csp3-H activation, and the application of such compounds in catalysis. The new hemilabile P,O phosphines N-methyl-N-propionyl-2-(diphenylphosphino)benzylamine (DPPAM), o-(diphenylphosphino)benzoic acid ethyl ester (DPPES), o-(diphenylphosphino)benzoic acid methyl ether (DPPET) and ±-1-(2- diphenylphosphino)phenylethyl propionate (±-DPPMES) and the symmetrical diphosphorus donor ligands cis-1,3-bis[(diphenylphosphino)methyl]-cyclohexane (DPCY), cis-1,3-bis[(di-tertbutylphosphino)methyl]cyclohexane (DTBCY) and cis-1,3-bis[(di-isopropylphosphino)methyl]cyclohexane (DIPCY) have been synthesised, allowing the preparation of a range of new metallacyclic rhodium(III), iridium(III) and palladium(II) complexes. LÄS MER

  3. 3. Manganese and Iron Heterodimers and Homodimers in Enzymes : Insights from Density Functional Theory

    Författare :Katarina Roos; Per Siegbahn; Margareta R. A. Blomberg; Frank Neese; Stockholms universitet; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; NATURAL SCIENCES; Ribonucleotide reductase; manganese; iron; density functional theory; kemisk fysik; Chemical Physics;

    Sammanfattning : The enzyme ribonucleotide reductase (RNR) catalyzes the reduction of ribonucleotides to deoxyribonucleotides, the building blocks of DNA, and is essential for all organisms. Canonical class I RNR R2 proteins use a diiron cofactor to generate a tyrosyl radical, which is required for catalysis. LÄS MER

  4. 4. Endothelial activation and inflammation in the tumor microenvironment

    Författare :Hua Huang; Anna Dimberg; William C. Aird; Uppsala universitet; []
    Nyckelord :MEDICAL AND HEALTH SCIENCES; MEDICIN OCH HÄLSOVETENSKAP; MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; tumor angiogenesis; endothelial activation; leukocyte recruitment; VEGF-A; αB-crystallin; ELTD1;

    Sammanfattning : Tumors are composed not only of malignant cells, but also of various types of normal cells, including vascular cells and infiltrating immune cells, which drive tumor development and progression. The tumor vasculature is abnormal and dysfunctional due to sustained tumor angiogenesis driven by high levels of pro-angiogenic factors. LÄS MER

  5. 5. On the Diluent and Solvent Effects in Liquid-Liquid Extraction Systems based on Bis-triazine-bipyridine (BTBP) ligands

    Författare :Elin Löfström Engdahl; Chalmers University of Technology; []
    Nyckelord :Solvent effects; Diluent effects; GANEX; Interfacial tension; Density;

    Sammanfattning : Used nuclear fuel is dangerous for mankind and her environment for a long time. If however, the minor actinides together with uranium and plutonium could be transmuted, i.e. transformed, into more shortlived or stable isotopes the volume of the waste could be significantly reduced together with a reduction in the radiotoxicity. LÄS MER