Magnetic Resonance Signal Amplification by Reversible Exchange of Selective PyFALGEA Oligopeptide Ligands Towards Epidermal Growth Factor Receptors

The biorelevant PyFALGEA oligopeptide ligand, which is selective towards the epidermal growth factor receptor (EGFR), has been successfully employed as a substrate in magnetic resonance signal amplification by reversible exchange (SABRE) experiments. It is demonstrated that PyFALGEA and the iridium catalyst IMes form a PyFALGEA:IMes molecular complex. The interaction between PyFALGEA:IMes and H₂ results in a ternary SABRE complex. Selective 1D EXSY experiments reveal that this complex is labile, which is an essential condition for successful hyperpolarization by SABRE. Polarization transfer from parahydrogen to PyFALGEA is observed leading to significant enhancement of the ¹H NMR signals of PyFALGEA. Different iridium catalysts and peptides are inspected to discuss the influence of their molecular structures on the efficiency of hyperpolarization. It is observed that PyFALGEA oligopeptide hyperpolarization is more efficient when an iridium catalyst with a sterically less demanding NHC ligand system such as IMesBn is employed. Experiments with shorter analogues of PyFALGEA, that is, PyLGEA and PyEA, show that the bulky phenylalanine from the PyFALGEA oligopeptide causes steric hindrance in the SABRE complex, which hampers hyperpolarization with IMes. Finally, a single-scan ¹H NMR SABRE experiment of PyFALGEA with IMesBn revealed a unique pattern of NMR lines in the hydride region, which can be treated as a fingerprint of this important oligopeptide.     

Semantic Web Mining: State of the art and future directions

Semantic Web Mining aims at combining the two fast-developing research areas Semantic Web and Web Mining. This survey analyzes the convergence of trends from both areas: More and more researchers are working on improving the results of Web Mining by exploiting semantic structures in the Web, and they make use of Web Mining techniques for building the Semantic Web. Last but not least, these techniques can be used for mining the Semantic Web itself.The Semantic Web is the second-generation WWW, enriched by machine-processable information which supports the user in his tasks. Given the enormous size even of today’s Web, it is impossible to manually enrich all of these resources. Therefore, automated schemes for learning the relevant information are increasingly being used. Web Mining aims at discovering insights about the meaning of Web resources and their usage. Given the primarily syntactical nature of the data being mined, the discovery of meaning is impossible based on these data only. Therefore, formalizations of the semantics of Web sites and navigation behavior are becoming more and more common. Furthermore, mining the Semantic Web itself is another upcoming application. We argue that the two areas Web Mining and Semantic Web need each other to fulfill their goals, but that the full potential of this convergence is not yet realized. This paper gives an overview of where the two areas meet today, and sketches ways of how a closer integration could be profitable.     

Finite element analysis of loaded structures at very high temperatures

At very high temperatures loaded metallic structures undergo creep deformations. The generated creep strains are connected with stress relaxations, stress redistributions and/or progressive deformations.In mainly load controlled situations the behaviour of the material can be described by a nonlinear viscous flow law (Norton power law).A stress-deformation analysis of complex structures can be carried out by finite element codes in which the mentioned constitutive equation is implemented. The code PERMAS-VISCOUS was used to analyse the stress state of a notched tension bar and the deformation behaviour of a tube under external pressure undergoing a creep collapse. The relation to experimental findings is also given.     

Mechanism of Oxide Nucleation in Lithium Aluminosilicate Glass-Ceramics

A commercial lithium aluminosilicate glass-ceramic material is investigated by high-resolution transmission electron microscopy after different heat treatments. Evidence is presented that epitaxy of β-quartz crystals on ZrTiO₄-type crystallites is the critical step initiating silicate crystallization.     

Temporal evolution of contacts and communities in networks of face-to-face human interactions

Temporal dynamics of social interaction networks as well as the analysis of communities are key aspects to gain a better understanding of the involved processes, important influence factors, their effects, and their structural implications. In this article, we analyze temporal dynamics of contacts and the evolution of communities in networks of face-to-face proximity. As our application context, we consider four scientific coil- ferences. On a structural level, we focus on static and dynamic properties of the contact graphs. Also, we analyze the resulting community structure using state-of-the-art automatic community detection algorithms. Specifically, we analyze tile evolution of contacts and communities over time to consider the stability of the respective conmmnities. Furthermore, we assess different factors which have an influence on the quality of com- munity prediction. Overall, we provide first important insights into the evolution of contacts and communities in face-to-face contact networks.