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Browsing by Subject "Ólífræn efnafræði"

Browsing by Subject "Ólífræn efnafræði"

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    Assembling Multi-Functional Ligands to Smart Materials 
    Ghosh, Dipankar (University of Iceland, School of Engineering and Natural Sciences, Faculty of Physical Sciences, 2020)
    Nature has been successful in self-assembling simple building blocks to complex functional architectures and the concept of supramolecular chemistry has enabled chemists to mimic nature's self-assembly principles. The understanding of the assembly/reassembly ...
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    Comparative electronic structures of nitrogenase FeMoco and FeVco 
    Rees, Julian A.; Bjornsson, Ragnar; Kowalska, Joanna K.; Lima, Frederico A.; Schlesier, Julia; Sippel, Daniel; Weyhermüller, Thomas; Einsle, Oliver; Kovacs, Julie A.; DeBeer, Serena (Royal Society of Chemistry (RSC), 2017)
    An investigation of the active site cofactors of the molybdenum and vanadium nitrogenases (FeMoco and FeVco) was performed using high-resolution X-ray spectroscopy. Synthetic heterometallic iron–sulfur cluster models and density functional theory ...
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    Conformational properties of 1-cyano-1-silacyclohexane, C5H10SiHCN: Gas electron diffraction, low-temperature NMR and quantum chemical calculations 
    Belyakov, Alexander V.; Sigolaev, Yrii F.; Shlykov, Sergey A.; Wallevik, Sunna Ó.; Jónsdóttir, Nanna R.; Jónsdóttir, Sigríður; Kvaran, Agust; Bjornsson, Ragnar; Árnason, Ingvar (Elsevier BV, 2017-03)
    The conformational preference of the cyano group of the 1-cyano-1-silacyclohexane was studied experimentally by means of gas electron diffraction (GED) and dynamic nuclear magnetic resonance (DNMR) as well as by quantum chemical (QC) calculations ...
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    The Malignant Role of Exosomes as Nanocarriers of Rare RNA Species 
    Zimta, Alina-Andreea; Sigurjonsson, Olafur Eysteinn; Gulei, Diana; Tomuleasa, Ciprian (MDPI AG, 2020-08-15)
    Nowadays, advancements in the oncology sector regarding diagnosis methods allow us to specifically detect an increased number of cancer patients, some of them in incipient stages. However, one of the main issues consists of the invasive character of ...
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    QM/MM Study of the Nitrogenase MoFe Protein Resting State: Broken-Symmetry States, Protonation States, and QM Region Convergence in the FeMoco Active Site 
    Benediktsson, Bardi; Bjornsson, Ragnar (American Chemical Society (ACS), 2017-10-20)
    Nitrogenase is one of the most fascinating enzymes in nature, being responsible for all biological nitrogen reduction. Despite decades of research, it is among the enzymes in bioinorganic chemistry whose mechanism is the most poorly understood. The ...
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    Revisiting the Mössbauer Isomer Shifts of the FeMoco Cluster of Nitrogenase and the Cofactor Charge 
    Bjornsson, Ragnar; Neese, Frank; DeBeer, Serena (American Chemical Society (ACS), 2017-01-10)
    Despite decades of research, the structure–activity relationship of nitrogenase is still not understood. Only recently was the full molecular structure of the FeMo cofactor (FeMoco) revealed, but the charge and metal oxidation states of FeMoco have ...