Zur Potentialsensitivität von Struktur und Dynamik zweiatomiger Moleküle im flüssigen Zustand

Die Dissertation beschreibt die molekulardynamische Simulation der vibronischen Linienform von flüssigem Stickstoff und Kohlenmonoxid. Dabei werden verschiedene empirische und ab-initio Potentiale miteinander verglichen. Die Untersuchungen umfassen sowohl die Temperatur- als auch die Dichteabhängigkeit. Neben dem Hauptaspekt Schwingungsdynamik werden auch Struktur sowie translatorische und rotatorische Dynamik bestimmt, um ein ganzheitliches Bild der Flüssigkeit beschreiben zu können

Autoradiographic characterization of [18 F]PSMA-1007 binding in rat brain.

Carboxypeptidase II (CBPII) in brain metabolizes the neuroactive substance N-acetyl-L-aspartyl-L-glutamate (NAGG) to yield the elements of glutamate and N-acetyl-aspartate (NAA). In peripheral organs, CBPII is known as prostrate specific membrane antigen (PSMA), which presents an important target for nuclear medicine imaging in prostate cancer. Available PSMA ligands for PET imaging do not cross the blood-brain barrier, and there is scant knowledge of the neurobiology of CBPII, despite its implication in the regulation of glutamatergic neurotransmission. In this study we used the clinical PET tracer [18 F]-PSMA-1007 ([18 F]PSMA) for an autoradiographic characterization of CGPII in rat brain. Ligand binding and displacement curves indicated a single site in brain, with KD of about 0.5 nM, and Bmax ranging from 9 nM in cortex to 19 nM in white matter (corpus callosum and fimbria) and 24 nM in hypothalamus. The binding properties of [18 F]PSMA in vitro should enable its use for autoradiographic investigations of CBPII expression in animal models of human neuropsychiatric conditions

Recombinant human thyrotropin in thyroid cancer and hypopituitarism due to sella metastasis

We present a patient with thyroid cancer and hypopituitarism who required recombinant human thyrotropin (rhTSH) for I-131 Scanning with respect to subsequent therapy. The thyroid cancer had been unknown until central neurological symptoms developed, leading to the diagnosis of a huge metastasis to the sella that was the only manifestation of metastatic spread. The failure to generate endogenous thyrotropin (TSH) was overcome by the use of rhTSH for performing a I-131 test. Unfortunately, the I-131 uptake was not sufficient for therapy. This subject is the first reported case who required the application of rhTSH due to a single thyroid cancer metastasis in the sella region with secondary failure to generate endogenous TSH

Integrating Ethics into the NLP Curriculum

To raise awareness among future NLP practitioners and prevent inertia in the field, we need to place ethics in the curriculum for all NLP students—not as an elective, but as a core part of their education. Our goal in this tutorial is to empower NLP researchers and practitioners with tools and resources to teach others about how to ethically apply NLP techniques. We will present both high-level strategies for developing an ethics-oriented curriculum, based on experience and best practices, as well as specific sample exercises that can be brought to a classroom. This highly interactive work session will culminate in a shared online resource page that pools lesson plans, assignments, exercise ideas, reading suggestions, and ideas from the attendees. Though the tutorial will focus particularly on examples for university classrooms, we believe these ideas can extend to company-internal workshops or tutorials in a variety of organizations. In this setting, a key lesson is that there is no single approach to ethical NLP: each project requires thoughtful consideration about what steps can be taken to best support people affected by that project. However, we can learn (and teach) what issues to be aware of, what questions to ask, and what strategies are available to mitigate harm

Dipolar-coupled moment correlations in clusters of magnetic nanoparticles

Here, we investigate the nature of the moment coupling between 10-nm DMSA-coated magnetic nanoparticles, in both colloidal dispersion and in powder form. The individual iron oxide cores were composed of > 95% maghemite and agglomerated to clusters. At room temperature the ensemble behaved as a superparamagnet according to M\"ossbauer and magnetization measurements, however, with clear signs of dipolar interactions at low temperatures. Analysis of temperature-dependent AC susceptibility data in the superparamagnetic regime indicates a tendency for dipolar coupled anticorrelations of the core moments within the clusters. To resolve the directional correlations between the particle moments we performed polarized small-angle neutron scattering and determined the magnetic spin-flip cross-section of the powder in low magnetic field at 300 K. We extract the underlying pair distance distribution function of the magnetization vector field by an indirect Fourier transform of the cross-section, and which suggests positive as well as negative correlations between nearest neighbor moments, with anticorrelations clearly dominating for next-nearest moments. These tendencies are confirmed by Monte Carlo simulations of such core-clusters.Comment: 11 pages, 6 figure

Experiences and Future of Using VR in the Construction Sector

Living in the era of digitalization shapes more or less all the aspects of one's life. The multitude of available technologies extends the range of tools, established processes, and available affordances in many spheres. Cities of the future will not only impact the living patterns of their inhabitants but also require special conditions and requirements for their planning and design. Virtual reality as an interactive tool for visualization and urban planning is no more tomorrow’s technology, as it can be seen from the appearance of cheaper and portable virtual reality devices. However, we still lack established routine and multidisciplinary best practices for designing VR educational applications. There are also not enough “visionary approaches” attempting to cross-sectoral exploitation of technologies. In this paper we will try to extrapolate and extend learning use cases of construction and mechatronics to the broader areas of construction and planning sector. We will discuss our experiences and use-cases of integrating innovative visualizations tools in the learning context of construction and planning related fields. Based on this, we will discuss potential applications and links to other disciplines and their integration into the construction and planning sector

The cultural challenge in mathematical cognition

In their recent paper on “Challenges in mathematical cognition”, Alcock and colleagues (Alcock et al. [2016]. Challenges in mathematical cognition: A collaboratively-derived research agenda. Journal of Numerical Cognition, 2, 20-41) defined a research agenda through 26 specific research questions. An important dimension of mathematical cognition almost completely absent from their discussion is the cultural constitution of mathematical cognition. Spanning work from a broad range of disciplines – including anthropology, archaeology, cognitive science, history of science, linguistics, philosophy, and psychology – we argue that for any research agenda on mathematical cognition the cultural dimension is indispensable, and we propose a set of exemplary research questions related to it

Utility of (11)C-methionine and (11)C-donepezil for imaging of Staphylococcus aureus induced osteomyelitis in a juvenile porcine model:comparison to autologous (111)In-labelled leukocytes, (99m) Tc-DPD, and (18)F-FDG

The aim of this study was to compare (11)C-methionine and (11)C-donepezil positron emission tomography (PET) with (111)In-labeled leukocyte and (99m)Tc-DPD (Tc-99m 3,3-diphosphono-1,2-propanedicarboxylic acid) single-photon emission computed tomography (SPECT), and (18)F-fluorodeoxyglucose ((18)F-FDG) PET to improve detection of osteomyelitis. The tracers’ diagnostic utility where tested in a juvenile porcine hematogenously induced osteomyelitis model comparable to osteomyelitis in children. Five 8-9 weeks old female domestic pigs were scanned seven days after intra-arterial inoculation in the right femoral artery with a porcine strain of Staphylococcus aureus. The sequential scan protocol included Computed Tomography, (11)C-methionine and (11)C-donepezil PET, (99m)Tc-DPD and (111)In-labelled leukocytes scintigraphy, and (18)F-FDG PET. This was followed by necropsy of the pigs and gross pathology, histopathology, and microbial examination. The pigs developed a total of 24 osteomyelitic lesions, 4 lesions characterized as contiguous abscesses and pulmonary abscesses (in two pigs). By comparing the 24 osteomyelitic lesions, (18)F-FDG accumulated in 100%, (111)In-leukocytes in 79%, (11)C-methionine in 79%, (11)C-donepezil in 58%, and (99m)Tc-DPD in none. Overall, (18)F-FDG PET was superior to (111)In-leukocyte SPECT and (11)C-methionine in marking infectious lesions