Martin Brehm

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BACKGROUND Triggering receptor expressed on myeloid cells-2 (TREM2) is a microglial surface receptor involved in phagocytosis. Clearance of apoptotic debris after stroke represents an important mechanism to re-attain tissue homeostasis and thereby ensure functional recovery. The role of TREM2 following stroke is currently unclear. METHODS AND RESULTS As(More)
Halogenated homo- and heterocyclic aromatics including disinfectants, pesticides and pharmaceuticals raise concern as persistent and toxic contaminants with often unknown fate. Remediation strategies and natural attenuation in anaerobic environments often build on microbial reductive dehalogenation. Here we describe the transformation of halogenated(More)
We present the Voronoi tessellation of electron density data to obtain molecular dipole moments in bulk phase ab initio molecular dynamics simulations for the calculation of vibrational spectra. Opposed to the established scheme of maximally localized Wannier functions, this approach does not rely on computationally demanding localization procedures.(More)
We present a theoretical study of carbene formation from the 1-ethyl-3-methylimidazolium acetate ionic liquid in the absence and presence of CO2 in gas and liquid phase. Although CO2 physisorption constitutes a precursory step of chemisorption (the CO2's reaction with carbenes, which forms from cations via proton abstraction by anions), it also enables a(More)
We review several methods for the calculation of vibrational spectra from ab initio molecular dynamics (AIMD) simulations and we present a new implementation in the trajectory analyzer TRAVIS. In particular, we show mass-weighted power spectra, infrared spectra, and Raman spectra with corresponding depolarization ratios, which are based on time-correlation(More)
The solvation of the carbene 1-ethyl-3-methylimidazole-2-ylidene in the ionic liquid 1-ethyl-3-methylimidazolium acetate was investigated by ab initio molecular dynamics simulations in order to reveal the interaction between these two highly important classes of materials: N-heterocyclic carbenes with superb catalytic activity and ionic liquids with(More)
We carried out classical molecular dynamics simulations with a standard and two quantum chemistry based charge sets to study the ionic liquid 1-n-butyl-3-methylimidazolium bromide, [C(4)C(1)im][Br]. We split the cation up into different charge groups and found that the total charge and the charge distribution in the imidazolium ring are completely different(More)
This article describes the experimental calibration of a three-dimensional numerical model of an Alfa Pendular train vehicle based on modal parameters. The dynamic tests of the carbody and bogie of the vehicle allowed the determination of the frequencies and modal configurations of 13 vibration modes, by applying the data-driven stochastic subspace(More)
Keywords: Finite element model updating Railway bridge Bowstring-arch Experimental modal parameters Genetic algorithm Experimental validation a b s t r a c t This article describes the calibration of the numerical model of a bowstring-arch railway bridge based on modal parameters. An ambient vibration test allowed the identification of the natural(More)
We present TRAVIS ("TRajectory Analyzer and VISualizer"), a free program package for analyzing and visualizing Monte Carlo and molecular dynamics trajectories. The aim of TRAVIS is to collect as many analyses as possible in one program, creating a powerful tool and making it unnecessary to use many different programs for evaluating simulations. This should(More)