@article{EmmertWitzelHeinrich2016,
  author    = {Emmert, M. and Witzel, P. and Heinrich, D.},
  title     = {Challenges in tissue engineering - towards cell control inside artificial scaffolds},
  series = {Soft Matter},
  volume    = {12},
  journal   = {Soft Matter},
  number    = {19},
  doi       = {10.1039/c5sm02844b},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-191341},
  pages     = {4287-4294},
  year      = {2016},
  abstract  = {Control of living cells is vital for the survival of organisms. Each cell inside an organism is exposed to diverse external mechano-chemical cues, all coordinated in a spatio-temporal pattern triggering individual cell functions. This complex interplay between external chemical cues and mechanical 3D environments is translated into intracellular signaling loops. Here, we describe how external mechano-chemical cues control cell functions, especially cell migration, and influence intracellular information transport. In particular, this work focuses on the quantitative analysis of (1) intracellular vesicle transport to understand intracellular state changes in response to external cues, (2) cellular sensing of external chemotactic cues, and (3) the cells' ability to migrate in 3D structured environments, artificially fabricated to mimic the 3D environment of tissue in the human body.},
  language  = {en}
}
@article{KurzKampfBuschleetal.2016,
  author    = {Kurz, Felix T. and Kampf, Thomas and Buschle, Lukas R. and Schlemmer, Heinz-Peter and Bendszus, Martin and Heiland, Sabine and Ziener, Christian H.},
  title     = {Generalized moment analysis of magnetic field correlations for accumulations of spherical and cylindrical magnetic perturbers},
  series = {Frontiers in Physics},
  volume    = {4},
  journal   = {Frontiers in Physics},
  issn      = {2296-424X},
  doi       = {10.3389/fphy.2016.00046},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-190604},
  year      = {2016},
  abstract  = {In biological tissue, an accumulation of similarly shaped objects with a susceptibility difference to the surrounding tissue generates a local distortion of the external magnetic field in magnetic resonance imaging. It induces stochastic field fluctuations that characteristically influence proton spin dephasing in the vicinity of these magnetic perturbers. The magnetic field correlation that is associated with such local magnetic field inhomogeneities can be expressed in the form of a dynamic frequency autocorrelation function that is related to the time evolution of the measured magnetization. Here, an eigenfunction expansion for two simple magnetic perturber shapes, that of spheres and cylinders, is considered for restricted spin diffusion in a simple model geometry. Then, the concept of generalized moment analysis, an approximation technique that is applied in the study of (non-)reactive processes that involve Brownian motion, allows deriving analytical expressions of the correlation function for different exponential decay forms. Results for the biexponential decay for both spherical and cylindrical magnetized objects are derived and compared with the frequently used (less accurate) monoexponential decay forms. They are in asymptotic agreement with the numerically exact value of the correlation function for long and short times.},
  language  = {en}
}
@article{SungKimFimmeletal.2015,
  author    = {Sung, Jooyoung and Kim, Pyosang and Fimmel, Benjamin and W{\"u}rthner, Frank and Kim, Dongho},
  title     = {Direct observation of ultrafast coherent exciton dynamics in helical π-stacks of self-assembled perylene bisimides},
  series = {Nature Communications},
  volume    = {6},
  journal   = {Nature Communications},
  number    = {8646},
  doi       = {10.1038/ncomms9646},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-148157},
  year      = {2015},
  abstract  = {Ever since the discovery of dye self-assemblies in nature, there have been tremendous efforts to exploit biomimetic supramolecular assemblies for tailored artificial photon processing materials. This feature necessarily has resulted in an increasing demand for understanding exciton dynamics in the dye self-assemblies. In a sharp contrast with pi-type aggregates, however, the detailed observation of exciton dynamics in H-type aggregates has remained challenging. In this study, as we succeed in measuring transient fluorescence from Frenkel state of π-stacked perylene tetracarboxylic acid bisimide dimer and oligomer aggregates, we present an experimental demonstration on Frenkel exciton dynamics of archetypal columnar π-π stacks of dyes. The analysis of the vibronic peak ratio of the transient fluorescence spectra reveals that unlike the simple π-stacked dimer, the photoexcitation energy in the columnar π-stacked oligomer aggregates is initially delocalized over at least three molecular units and moves coherently along the chain in tens of femtoseconds, preceding excimer formation process.},
  language  = {en}
}
@article{ShityakovFoerster2014,
  author    = {Shityakov, Sergey and F{\"o}rster, Carola},
  title     = {In silico predictive model to determine vector-mediated transport properties for the blood-brain barrier choline transporter},
  series = {Advances and Applications in Bioinformatics and Chemistry},
  volume    = {7},
  journal   = {Advances and Applications in Bioinformatics and Chemistry},
  doi       = {10.2147/AABC.S63749},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-120200},
  pages     = {23-36},
  year      = {2014},
  abstract  = {The blood-brain barrier choline transporter (BBB-ChT) may have utility as a drug delivery vector to the central nervous system (CNS). We therefore initiated molecular docking studies with the AutoDock and AutoDock Vina (ADVina) algorithms to develop predictive models for compound screening and to identify structural features important for binding to this transporter. The binding energy predictions were highly correlated with r2=0.88, F=692.4, standard error of estimate =0.775, and P-value<0.0001 for selected BBB-ChT-active/inactive compounds (n=93). Both programs were able to cluster active (Gibbs free energy of binding <-6.0 kcal*mol-1) and inactive (Gibbs free energy of binding >-6.0 kcal*mol-1) molecules and dock them significantly better than at random with an area under the curve value of 0.86 and 0.84, respectively. In ranking smaller molecules with few torsional bonds, a size-related bias in scoring producing false-negative outcomes was detected. Finally, important blood-brain barrier parameters, such as the logBBpassive and logBBactive values, were assessed to predict compound transport to the CNS accurately. Knowledge gained from this study is useful to better understand the binding requirements in BBB-ChT, and until such time as its crystal structure becomes available, it may have significant utility in developing a highly predictive model for the rational design of drug-like compounds targeted to the brain.},
  language  = {en}
}