A5012244200- High-pressure geophysics and materials
- Monoclonal and Polyclonal Antibodies Research
- Glass properties and applications
- Geological and Geochemical Analysis
- T-cell and B-cell Immunology
- Crystal Structures and Properties
- Material Dynamics and Properties
- Radioactive element chemistry and processing
- Glycosylation and Glycoproteins Research
- Solid-state spectroscopy and crystallography
- X-ray Diffraction in Crystallography
- Phase Equilibria and Thermodynamics
- Spectroscopy and Quantum Chemical Studies
- Protein purification and stability
- Hydrocarbon exploration and reservoir analysis
- Immunodeficiency and Autoimmune Disorders
- Mineralogy and Gemology Studies
- Immunotherapy and Immune Responses
- Immune Cell Function and Interaction
- Nuclear materials and radiation effects
- Calcium Carbonate Crystallization and Inhibition
- Chemical and Physical Properties in Aqueous Solutions
- Advanced ceramic materials synthesis
- Thermodynamic and Structural Properties of Metals and Alloys
- Inorganic Fluorides and Related Compounds
Ludwig-Maximilians-Universität München
2024-2025
University of Cologne
2003-2024
Czech Academy of Sciences, Institute of Geology
2018-2023
Praxis
2020
GFZ Helmholtz Centre for Geosciences
2009-2018
LVR-Klinik Köln
2018
Klinik und Poliklinik für Urologie
2018
Günter-Köhler-Institut für Fügetechnik und Werkstoffprüfung
2014
Schott (Germany)
2014
Conditions Extrêmes et Matériaux Haute Température et Irradiation
2012
We report on the microscopic structure of water at sub- and supercritical conditions studied using X-ray Raman spectroscopy, ab initio molecular dynamics simulations, density functional theory. Systematic changes in spectra with increasing pressure temperature are observed. Throughout thermodynamic range, experimental can be interpreted a structural model obtained from simulations. A spatial statistical analysis Ripley’s K-function shows that this is homogeneous nanometer length scale....
We investigated the structure of SiO
Forsterite, Mg2SiO4, the magnesian end-member of olivine system, is archetypal example an orthosilicate structure. We have conducted synchrotron-based single-crystal X‑ray diffraction experiments to 90 GPa on synthetic forsterite study its equation state and phase transitions. Upon room-temperature compression, structure observed 48 GPa. By fitting a third-order Birch-Murnaghan our compression data, we obtain zeropressure isothermal bulk modulus, K0T = 130.0(9) pressure derivative, K′0T...
Vibrational spectroscopy techniques are commonly used to probe the atomic-scale structure of silica species in aqueous solution and hydrous glasses. However, unequivocal assignment individual spectroscopic features specific vibrational modes is challenging. In this contribution, we establish a connection between experimentally observed bands ab initio molecular dynamics (MD) glass. Using mode-projection approach, decompose vibrations into subspectra resulting from several fundamental...
The structure of the fragile glass-forming material CaAl(2)O(4) was measured by applying method neutron diffraction with Ca isotope substitution to laser-heated aerodynamically levitated liquid at 1973(30) K and glass 300(1) K. results, interpreted aid molecular dynamics simulations, reveal key structural modifications on multiple length scales. Specifically, there is a reorganization quenching that leads an almost complete breakdown AlO(5) polyhedra threefold coordinated oxygen atoms...
The high pressure structure of liquid and glassy anorthite (CaAl2Si2O8) calcium aluminate (CaAl2O4) glass was measured by using in situ synchrotron x-ray diffraction a diamond anvil cell up to 32.4(2) GPa. results, combined with ab initio molecular dynamics classical simulations polarizable ion model, reveal continuous increase Al coordination oxygen, 5-fold coordinated dominating at 15 GPa preponderance 6-fold higher pressures. development peak the total factors 3.1 Å−1 is interpreted as...
In this overview article, we present the main features of upgraded ID27 beamline which is fully optimised to match exceptional characteristics new Extremely Bright Source (EBS) European Synchrotron Radiation Facility (ESRF). The has been converted a 120-m-long instrument and undergone major refurbishment all its critical components including both hardware software environments. We will successively introduce undulator X-ray source, optical scheme experimental hutch. illustrate potential...
Oxide potentials which transfer well between different materials have to account explicitly for many-body contributions the interaction ions. These include dipole and quadrupole polarization effects compression deformation of an oxide ion by its immediate coordination environment. Such complex necessarily involve many parameters. We examine how results ab initio electronic structure calculations, based upon planewave DFT methods, on general configurations ions derived from simulations at...
SUMMARY We describe the production of six mouse-human heterohybridomas secreting human IgG anti-dsDN A antibodies derived from patients with systemic lupus erythematosus (SLE). Peripheral blood cells used for fusion experiments were who shown to have high numbers anti-DNA B in peripheral blood. All monoclonal bind dsDNA ELISA systems, five are reactive Crithidia lucilae kinetoplasts and three precipitate Farr assay. Inhibition studies revealed a remarkable specificity certain polynucleotide...
Research Article| January 01, 2014 Theoretical Approaches to Structure and Spectroscopy of Earth Materials Sandro Jahn; Jahn 1GFZ German Centre for Geosciences, Telegrafenberg, 14473 Potsdam, Germany Search other works by this author on: GSW Google Scholar Piotr M. Kowalski Germany2IEK-6 Institute Energy Climate Research, Forschungszentrum Jülich, 52425 Germany, sandro.jahn@gfz-potsdam.de, p.kowalski@fz-juelich.de Author Article Information Publisher: Mineralogical Society America First...
Zirconium and hafnium behave nearly identically in most geological processes due to their identical nominal ionic charge similar radius. Some of the pronounced exceptions from this rule are observed fluoride-rich aqueous systems, suggesting that fluoride complexation may be involved Zr/Hf fractionation. To understand mechanisms causing phenomenon, we investigated Zr4+ Hf4+ (1.0 mol/kg HF) solutions at 40 MPa 100 - 400 °C, using synchrotron X-ray absorption spectroscopy (X-ray near edge...
Ab initio molecular dynamics simulations and in situ Raman spectroscopy are used to study the speciation two molal aqueous MgSO4 solutions at high pressures, P, temperatures, T. While ambient conditions fluid is dominated by dissociated SO42−(aq) ions solvent-separated ion pairs, association strongly increases with increasing temperature pressure along a 1.33 g/cm3 isochore. At T = 450 °C P 1.4 GPa, ν1(SO42−) band well described three Gaussian + Lorentzian components of about equal intensity...
The structure of laser heated aerodynamically levitated (CaO)(x)(Al₂O₃)(1-x) high temperature liquids, with x = 0.33, 0.5, 0.75, was measured by using neutron and energy x-ray diffraction. partial factors for the liquids at 2500 K were also determined molecular dynamics computer simulations. simulation results are in excellent agreement diffraction measurements. show a predominant tetrahedral Al coordination approximately 20% fivefold coordinated 0.33 which reduces increasing CaO...