Brechungsexponenten von Solen und Gelen der Gelatine

Ohne Zusammenfassung Uebersetzt von J. Matula (Wien).     

Auf kleine Notizen aus der Laboratoriumspraxis

Ohne Zusammenfassung     

Surface Modification Strategy for Enhanced NO2 Capture in Metal–Organic Frameworks

The interaction strength of nitrogen dioxide (NO₂) with a set of 43 functionalized benzene molecules was investigated by performing density functional theory (DFT) calculations. The functional groups under study were strategically selected as potential modifications of the organic linker of existing metal–organic frameworks (MOFs) in order to enhance their uptake of NO₂ molecules. Among the functional groups considered, the highest interaction energy with NO₂ (5.4 kcal/mol) was found for phenyl hydrogen sulfate (-OSO₃H) at the RI-DSD-BLYP/def2-TZVPP level of theory—an interaction almost three times larger than the corresponding binding energy for non-functionalized benzene (2.0 kcal/mol). The groups with the strongest NO₂ interactions (-OSO₃H, -PO₃H₂, -OPO₃H₂) were selected for functionalizing the linker of IRMOF-8 and investigating the trend in their NO₂ uptake capacities with grand canonical Monte Carlo (GCMC) simulations at ambient temperature for a wide pressure range. The predicted isotherms show a profound enhancement of the NO₂ uptake with the introduction of the strongly-binding functional groups in the framework, rendering them promising modification candidates for improving the NO₂ uptake performance not only in MOFs but also in various other porous materials.     

Quantitative and Qualitative Analysis of the Anti-Proliferative Potential of the Pyrazole Scaffold in the Design of Anticancer Agents

The current work presents an objective overview of the impact of one important heterocyclic structure, the pyrazole ring, in the development of anti-proliferative drugs. A set of 1551 pyrazole derivatives were extracted from the National Cancer Institute (NCI) database, together with their growth inhibition effects (GI%) on the NCI’s panel of 60 cancer cell lines. The structures of these derivatives were analyzed based on the compounds’ averages of GI% values across NCI-60 cell lines and the averages of the values for the outlier cells. The distribution and the architecture of the Bemis–Murcko skeletons were analyzed, highlighting the impact of certain scaffold structures on the anti-proliferative effect’s potency and selectivity. The drug-likeness, chemical reactivity and promiscuity risks of the compounds were predicted using AMDETlab. The pyrazole ring proved to be a versatile scaffold for the design of anticancer drugs if properly substituted and if connected with other cyclic structures. The 1,3-diphenyl-pyrazole emerged as a useful scaffold for potent and targeted anticancer candidates.     

Elastic behaviour near polymorphic transitions: Silver iodide

Longitudinal and transverse wave velocities have been determined as functions of pressure in polycrystalline silver iodide using the pulse transmission method. The velocities decrease with increasing pressure in the low pressure phase and increase with increasing pressure in the NaCl structure phase which is stable above 4 kbar at room temperature. The calculated value of the pressure derivative of the incompressibility of the low pressure phase is exceptionally low, sufficiently so to be inconsistent with some lattice dynamics formulations. The unusual properties of the low pressure phase may be due to the effect of Frenkel defects on elastic wave propagation.     

Holographic recording of fast events on a CCD camera

We report on holographic recording of nanosecond events on a conventional CCD camera. Three frames of an air-discharge event, with resolution of 5.9 ns and frame interval of 12 ns, are recorded in a single CCD frame. Each individual frame is reconstructed by digital filtering of the CCD frame, since successively recorded holograms are centered at different carrier frequencies in the spatial frequency domain.     

Secure Polar Coding for the Primitive Relay Wiretap Channel

With the emergence of wireless networks, cooperation for secrecy is recognized as an attractive way to establish secure communications. Departing from cryptographic techniques, secrecy can be provided by exploiting the wireless channel characteristics; that is, some error-correcting codes besides reliability have been shown to achieve information-theoretic security. In this paper, we propose a polar-coding-based technique for the primitive relay wiretap channel and show that this technique is suitable to provide information-theoretic security. Specifically, we integrate at the relay an additional functionality, which allows it to smartly decide whether it will cooperate or not based on the decoding detector result. In the case of cooperation, the relay operates in a decode-and-forward mode and assists the communication by transmitting a complementary message to the destination in order to correctly decode the initial source’s message. Otherwise, the communication is completed with direct transmission from source to the destination. Finally, we first prove that the proposed encoding scheme achieves weak secrecy, then, in order to overcome the obstacle of misaligned bits, we implement a double-chaining construction, which achieves strong secrecy.     

Electron-Impact Induced Molecular Fluoresence Spectroscopy

Abstract

By the bombardment of gaseous molecules with monoenergetic electrons the molecules can be electronically excited and/or fragmented, depending upon the energy supplied by the electrons. Any fragments which may be produced also have the possibility of being produced in electronically (as well as vibrationally and rotationally) excited states. The electronically excited molecules and fragments both possess the possibility of radiative decay (fluorescence). The measurement of this fluorescence as a function of both electron energy and photon wavelength is termed “electron-impact induced fluorescence spectroscopy.” A plot of fluorescence intensity as a function of the electron energy at a given photon wavelength is generally referred to as an “excitation function,” which is exactly analogous to the excitation spectrum which can be obtained in conventional (optically excited) fluorescence spectrometry. A plot of the fluorescence intensity as a function of photon wavelength at a given electron energy is termed the “fluorescence spectrum.” A three dimensional plot of the fluorescence intensity as a function of both the photon wavelength and the electron energy may also be constructed, and is referred to as an “excitation contour plot.”