@phdthesis{RobainaEstevez2017,
  author    = {Robaina Estevez, Semidan},
  title     = {Context-specific metabolic predictions},
  url       = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-401365},
  school      = {Universit{\"a}t Potsdam},
  pages     = {vi, 158},
  year      = {2017},
  abstract  = {All life-sustaining processes are ultimately driven by thousands of biochemical reactions occurring in the cells: the metabolism. These reactions form an intricate network which produces all required chemical compounds, i.e., metabolites, from a set of input molecules. Cells regulate the activity through metabolic reactions in a context-specific way; only reactions that are required in a cellular context, e.g., cell type, developmental stage or environmental condition, are usually active, while the rest remain inactive. The context-specificity of metabolism can be captured by several kinds of experimental data, such as by gene and protein expression or metabolite profiles. In addition, these context-specific data can be assimilated into computational models of metabolism, which then provide context-specific metabolic predictions. This thesis is composed of three individual studies focussing on context-specific experimental data integration into computational models of metabolism. The first study presents an optimization-based method to obtain context-specific metabolic predictions, and offers the advantage of being fully automated, i.e., free of user defined parameters. The second study explores the effects of alternative optimal solutions arising during the generation of context-specific metabolic predictions. These alternative optimal solutions are metabolic model predictions that represent equally well the integrated data, but that can markedly differ. This study proposes algorithms to analyze the space of alternative solutions, as well as some ways to cope with their impact in the predictions. Finally, the third study investigates the metabolic specialization of the guard cells of the plant Arabidopsis thaliana, and compares it with that of a different cell type, the mesophyll cells. To this end, the computational methods developed in this thesis are applied to obtain metabolic predictions specific to guard cell and mesophyll cells. These cell-specific predictions are then compared to explore the differences in metabolic activity between the two cell types. In addition, the effects of alternative optima are taken into consideration when comparing the two cell types. The computational results indicate a major reorganization of the primary metabolism in guard cells. These results are supported by an independent 13C labelling experiment.},
  language  = {en}
}
@article{PaascheEberle2011,
  author    = {Paasche, Hendrik and Eberle, Detlef},
  title     = {Automated compilation of pseudo-lithology maps from geophysical data sets a comparison of Gustafson-Kessel and fuzzy c-means cluster algorithms},
  series = {Exploration geophysics : the bulletin of the Australian Society of Exploration Geophysicists},
  volume    = {42},
  journal   = {Exploration geophysics : the bulletin of the Australian Society of Exploration Geophysicists},
  number    = {4},
  publisher = {CSIRO},
  address   = {Collingwood},
  issn      = {0812-3985},
  doi       = {10.1071/EG11014},
  pages     = {275 -- 285},
  year      = {2011},
  abstract  = {The fuzzy partitioning Gustafson-Kessel cluster algorithm is employed for rapid and objective integration of multi-parameter Earth-science related databases. We begin by evaluating the Gustafson-Kessel algorithm using the example of a synthetic study and compare the results to those obtained from the more widely employed fuzzy c-means algorithm. Since the Gustafson-Kessel algorithm goes beyond the potential of the fuzzy c-means algorithm by adapting the shape of the clusters to be detected and enabling a manual control of the cluster volume, we believe the results obtained from Gustafson-Kessel algorithm to be superior. Accordingly, a field database comprising airborne and ground-based geophysical data sets is analysed, which has previously been classified by means of the fuzzy c-means algorithm. This database is integrated using the Gustafson-Kessel algorithm thus minimising the amount of empirical data processing required before and after fuzzy c-means clustering. The resultant zonal geophysical map is more evenly clustered matching regional geology information available from the survey area. Even additional information about linear structures, e. g. as typically caused by the presence of dolerite dykes or faults, is visible in the zonal map obtained from Gustafson-Kessel cluster analysis.},
  language  = {en}
}