@article{PiekarczykHeitmannWeissetal.2020, author = {Piekarczyk, Andreas and Heitmann, Ulrike and Weiß, Karl-Anders and K{\"o}hl, Michael and Bald, Ilko}, title = {Development of a simple setup for temperature dependent mass spectrometric measurements for the investigation of outgassing effects in polymeric materials for solar application}, series = {Polymer testing}, volume = {81}, journal = {Polymer testing}, publisher = {Elsevier}, address = {Oxford}, issn = {0142-9418}, doi = {10.1016/j.polymertesting.2019.106164}, pages = {8}, year = {2020}, abstract = {A simple experimental setup for temperature dependent mass spectrometric measurements has been constructed. It consists of a heated sample chamber and a mass spectrometer and allows for measurements under inert gas and ambient air. Based on initial measurements on two extruded polystyrene (XPS) samples a methodology for the data analysis has been developed. With this methodology the outgassing temperature of volatile compounds, which were used as blowing agents, has been identified. Furthermore, the composition of the blowing agents has been analyzed by temperature dependent mass spectra. The results indicate the use of ambient air in one material and a mixture of the banned blowing agents R142b and R22, both hydrochlorofluorocarbons (HCFC), in the other material. The here described methodology provides an easy to use approach to identify such compounds, for example as part of environmental or quality control.}, language = {en} } @article{SchulzeMakuchWagnerKounavesetal.2018, author = {Schulze-Makuch, Dirk and Wagner, Dirk and Kounaves, Samuel P. and Mangelsdorf, Kai and Devine, Kevin G. and de Vera, Jean-Pierre and Schmitt-Kopplin, Philippe and Grossart, Hans-Peter and Parro, Victor and Kaupenjohann, Martin and Galy, Albert and Schneider, Beate and Airo, Alessandro and Froesler, Jan and Davila, Alfonso F. and Arens, Felix L. and Caceres, Luis and Cornejo, Francisco Solis and Carrizo, Daniel and Dartnell, Lewis and DiRuggiero, Jocelyne and Flury, Markus and Ganzert, Lars and Gessner, Mark O. and Grathwohl, Peter and Guan, Lisa and Heinz, Jacob and Hess, Matthias and Keppler, Frank and Maus, Deborah and McKay, Christopher P. and Meckenstock, Rainer U. and Montgomery, Wren and Oberlin, Elizabeth A. and Probst, Alexander J. and Saenz, Johan S. and Sattler, Tobias and Schirmack, Janosch and Sephton, Mark A. and Schloter, Michael and Uhl, Jenny and Valenzuela, Bernardita and Vestergaard, Gisle and Woermer, Lars and Zamorano, Pedro}, title = {Transitory microbial habitat in the hyperarid Atacama Desert}, series = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {115}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, number = {11}, publisher = {National Acad. of Sciences}, address = {Washington}, issn = {0027-8424}, doi = {10.1073/pnas.1714341115}, pages = {2670 -- 2675}, year = {2018}, language = {en} } @article{BouaklineSaalfrank2021, author = {Bouakline, Foudhil and Saalfrank, Peter}, title = {Seemingly asymmetric atom-localized electronic densities following laser-dissociation of homonuclear diatomics}, series = {The journal of chemical physics : bridges a gap between journals of physics and journals of chemistry}, volume = {154}, journal = {The journal of chemical physics : bridges a gap between journals of physics and journals of chemistry}, number = {23}, publisher = {American Institute of Physics}, address = {Melville}, issn = {0021-9606}, doi = {10.1063/5.0049710}, pages = {10}, year = {2021}, abstract = {Recent experiments on laser-dissociation of aligned homonuclear diatomic molecules show an asymmetric forward-backward (spatial) electron-localization along the laser polarization axis. Most theoretical models attribute this asymmetry to interference effects between gerade and ungerade vibronic states. Presumably due to alignment, these models neglect molecular rotations and hence infer an asymmetric (post-dissociation) charge distribution over the two identical nuclei. In this paper, we question the equivalence that is made between spatial electron-localization, observed in experiments, and atomic electron-localization, alluded by these theoretical models. We show that (seeming) agreement between these models and experiments is due to an unfortunate omission of nuclear permutation symmetry, i.e., quantum statistics. Enforcement of the latter requires mandatory inclusion of the molecular rotational degree of freedom, even for perfectly aligned molecules. Unlike previous interpretations, we ascribe spatial electron-localization to the laser creation of a rovibronic wavepacket that involves field-free molecular eigenstates with opposite space-inversion symmetry i.e., even and odd parity. Space-inversion symmetry breaking would then lead to an asymmetric distribution of the (space-fixed) electronic density over the forward and backward hemisphere. However, owing to the simultaneous coexistence of two indistinguishable molecular orientational isomers, our analytical and computational results show that the post-dissociation electronic density along a specified space-fixed axis is equally shared between the two identical nuclei-a result that is in perfect accordance with the principle of the indistinguishability of identical particles. Published under an exclusive license by AIP Publishing.}, language = {en} } @misc{BornhorstKippHaaseetal.2018, author = {Bornhorst, Julia and Kipp, Anna Patricia and Haase, Hajo and Meyer, Soeren and Schwerdtle, Tanja}, title = {The crux of inept biomarkers for risks and benefits of trace elements}, series = {Trends in Analytical Chemistry}, volume = {104}, journal = {Trends in Analytical Chemistry}, publisher = {Elsevier}, address = {Oxford}, issn = {0165-9936}, doi = {10.1016/j.trac.2017.11.007}, pages = {183 -- 190}, year = {2018}, abstract = {Nowadays, the role of trace elements (TE) is of growing interest because dyshomeostasis of selenium (Se), manganese (Mn), zinc (Zn), and copper (Cu) is supposed to be a risk factor for several diseases. Thereby, research focuses on identifying new biomarkers for the TE status to allow for a more reliable description of the individual TE and health status. This review mirrors a lack of well-defined, sensitive, and selective biomarkers and summarizes technical limitations to measure them. Thus, the capacity to assess the relationship between dietary TE intake, homeostasis, and health is restricted, which would otherwise provide the basis to define adequate intake levels of single TE in both healthy and diseased humans. Besides that, our knowledge is even more limited with respect to the real life situation of combined TE intake and putative interactions between single TE.}, language = {en} } @inproceedings{WangBreternitzSchorr2021, author = {Wang, Zhenyu and Breternitz, Joachim and Schorr, Susan}, title = {Cation disorder in zinc-group IV- nitride and oxide nitride semiconductor materials revealed through neutron diffraction}, series = {Acta crystallographica / International Union of Crystallography. Section A, Foundations and advances}, volume = {77}, booktitle = {Acta crystallographica / International Union of Crystallography. Section A, Foundations and advances}, number = {Suppl.}, publisher = {Blackwell}, address = {Oxford [u.a.]}, issn = {2053-2733}, doi = {10.1107/S0108767321086256}, pages = {C1077 -- C1077}, year = {2021}, language = {en} }