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Browsing by Subject "Efnahvörf"

Browsing by Subject "Efnahvörf"

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    Algorithms for Finding Saddle Points and Minimum Energy Paths Using Gaussian Process Regression 
    Koistinen, Olli-Pekka (Aalto University School of Science, 2019)
    Chemical reactions and other transitions involving rearrangements of atoms can be studied theoretically by analyzing a potential energy surface defined in a high-dimensional space of atom coordinates. Local minimum points of the energy surface correspond ...
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    Characterization of carotenoids in Rhodothermus marinus 
    Ron, Emanuel Y. C.; Plaza, Merichel; Kristjánsdóttir, Þórdís; Sardari, Roya R. R.; Björnsdóttir, Snædís; Guðmundsson, Steinn; Hreggvidsson, Gudmundur Oli; Turner, Charlotta; van Niel, Ed W. J.; Nordberg-Karlsson, Eva (Wiley-Blackwell, 2017-10-17)
    Rhodothermus marinus, a marine aerobic thermophile, was first isolated from an intertidal hot spring in Iceland. In recent years, the R. marinus strain PRI 493 has been genetically modified, which opens up possibilities for targeted metabolic engineering ...
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    Coupling MALDI-TOF mass spectrometry protein and specialized metabolite analyses to rapidly discriminate bacterial function 
    Clark, Chase M.; Costa, Maria Sofia; Sanchez, Laura M.; Murphy, Brian T. (Proceedings of the National Academy of Sciences, 2018-04-23)
    For decades, researchers have lacked the ability to rapidly correlate microbial identity with bacterial metabolism. Since specialized metabolites are critical to bacterial function and survival in the environment, we designed a data acquisition and ...
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    Development and evaluation of computational methods for studies of chemical reactions 
    Vilhjálmur, Ásgeirsson (University of Iceland, School of Engineering and Natural Sciences, Faculty of Physical Sciences, 2021-06)
    Methods for identifying the mechanism and estimating the rate of chemical reactions are presented and evaluated for a wide range of systems, using both classical and quantum mechanical description of the atomic nuclei. In the classical case, the minimum ...
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    Fluid-rock interaction and H2S and CO2 mineralization in geothermal systems: experiments and geochemical modeling 
    Přikryl, Jan (University of Iceland, School of Engineering and Natural Sciences, Faculty of Earth Sciences, 2018-05)
    Fluid-rock interaction is an important process in nature, and in many industrial fields. Fluid-rock interaction can be utilized to sequester industrial gases like CO2 and H2S in porous rocks of geothermal systems. The gases are re-injected, together ...
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    Ionic effects on subunit interactions in a cold-active alkaline phosphatase from the marine bacterium Vibrio splendidus 
    Hjörleifsson, Jens G (Jens Guðmundur Hjörleifsson, 2018-06-06)
    Protein quaternary structures are fundament for life. Proteins have evolved towards large assemblies of subunits needed for the execution of complex chemistry, for building structural components or for compartmentalization. Most oligomeric enzymes ...
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    Modelling nitrogen fixation on transition metal-based electrocatalysts 
    Höskuldsson, Árni Björn (University of Iceland, School of Engineering and Natural Sciences, Faculty of Industrial Eng., Mechanical Eng. and Computer Science, 2023-11-30)
    The effects of global warming are being felt around the world, with extreme weather events occurring ever more frequently. Accelerating the ongoing transition towards renewable energy resources, both in transportation and industry, is of vital ...