University of Paderborn

About: University of Paderborn is a education organization based out in Paderborn, Nordrhein-Westfalen, Germany. It is known for research contribution in the topics: Computer science & Context (language use). The organization has 6684 authors who have published 16929 publications receiving 323154 citations.

CogniCrypt: supporting developers in using cryptography

Abstract: Previous research suggests that developers often struggle using low-level cryptographic APIs and, as a result, produce insecure code. When asked, developers desire, among other things, more tool support to help them use such APIs. In this paper, we present CogniCrypt, a tool that supports developers with the use of cryptographic APIs. CogniCrypt assists the developer in two ways. First, for a number of common cryptographic tasks, CogniCrypt generates code that implements the respective task in a secure manner. Currently, CogniCrypt supports tasks such as data encryption, communication over secure channels, and long-term archiving. Second, CogniCrypt continuously runs static analyses in the background to ensure a secure integration of the generated code into the developer’s workspace. This video demo showcases the main features of CogniCrypt: youtube.com/watch?v=JUq5mRHfAWY.

Determination of the absolute configurations of natural products via density functional theory calculations of vibrational circular dichroism, electronic circular dichroism, and optical rotation: the iridoids plumericin and isoplumericin.

Abstract: The absolute configurations (ACs) of the iridoid natural products, plumericin (1) and isoplumericin (2), have been re-investigated using vibrational circular dichroism (VCD) spectroscopy, electronic circular dichroism (ECD) spectroscopy, and optical rotatory dispersion (ORD). Comparison of DFT calculations of the VCD spectra of 1 and 2 to the experimental VCD spectra of the natural products, (+)-1 and (+)-2, leads unambiguously to the AC (1R,5S,8S,9S,10S)-(+) for both 1 and 2. In contrast, comparison of time-dependent DFT (TDDFT) calculations of the ECD spectra of 1 and 2 to the experimental spectra of (+)-1 and (+)-2 does not permit definitive assignment of their ACs. On the other hand, TDDFT calculations of the ORD of (1R,5S,8S,9S,10S)-1 and -2 over the range of 365−589 nm are in excellent agreement with the experimental data of (+)-1 and (+)-2, confirming the ACs derived from the VCD spectra. Thus, the ACs initially proposed by Albers-Schonberg and Schmid are shown to be correct, and the opposite ACs r...

Structure and motion of basal dislocations in silicon carbide

Abstract: $30\ifmmode^\circ\else\textdegree\fi{}$ and $90\ifmmode^\circ\else\textdegree\fi{}$ Shockley partial dislocations lying in ${111}$ and basal planes of cubic and hexagonal silicon carbide, respectively, are investigated theoretically. Density-functional-based tight-binding total-energy calculations are used to determine the core structure and energetics of the dislocations. In a second step their electronic structure is investigated using a pseudopotential method with a Gaussian basis set. Finally, the thermal activation barriers to glide motion of $30\ifmmode^\circ\else\textdegree\fi{}$ and $90\ifmmode^\circ\else\textdegree\fi{}$ Shockley partials are calculated in terms of a process involving the formation and migration of kinks along the dislocation line. The mechanism for enhanced dislocation movement observed under current injection conditions in bipolar silicon carbide devices is discussed.

Theoretical and experimental studies on N-(6-methylpyridin-2-yl-carbamothioyl)biphenyl-4-carboxamide

Abstract: A novel thiourea derivative, N -(6-methylpyridin-2-yl-carbamothioyl)biphenyl-4-carbox amide, is synthesized and characterized by elemental analysis, FT-IR, NMR and single crystal X-ray diffraction study. There are two independent molecules A and B in the asymmetric unit. The short bond lengths of the C-N bonds in the central thiourea fragment indicate partial double bond character in this fragment of the title compound. These results can be explained by the existence of resonance in this part of the molecule. Each A and B molecule is stabilized with an intramolecular N-H•••O hydrogen bond which results in the formation of a pseudo six membered ring. In addition, the independent molecules are linked into a chain along the c axis by weak N-H•••S intermolecular hydrogen bonds. The conformational behavior and structural stability of the optimized geometry of the title compound were also investigated by utilizing ab- initio calculations with 6-31G* basis set at HF, BLYP, and B3LYP levels. The calculated parameters are in good agreement with the corresponding X-ray diffraction values.