A Facile Diversity‐Oriented Multicomponent One‐Pot Synthesis of 3‐Amino‐6,7‐dihydrobenzo[c]thiophen‐4(5H)‐one Derivatives from α‐Oxo‐N,S‐ketene Acetal

A convenient one‐pot multicomponent method for the preparation of 3‐amino‐6,7‐dihydrobenzo[c]thiophen‐4(5H)‐one derivative has been developed. Reaction of 1,3‐cyclohexanedione and phenyl isothiocynate gave α‐oxo‐N,S‐ketene acetal that were reacted in situ with 2‐chloromethylquniazoline‐4‐one derivatives, in the presence of sodium hydride to afford the target compound in reasonable overall yields.     

Oxidative fragmentation of oxiranes to nitriles with hypervalent iodine(V) reagents in aqueous ammonia

Oxiranes undergo oxidative fragmentation when treated with hypervalent iodine(V) reagents particularly o-iodoxybenzoic acid in aqueous ammonia to give nitriles. The reaction goes via the formation of 1, 2-amino alcohols as intermediates followed by C-C bond cleavage.     

A simple CdS nanoparticles cascading approach for boosting N3 dye/ZnO nanoplates DSSCs overall performance

Enhanced photosensitization in presence of CdS nanoparticles is achieved in electrochemically deposited ZnO nanoplates and N3 loaded dye-sensitized solar cells. Chemically embedded CdS nanoparticles act as a sandwiching layer between ZnO nanoplates and dye molecules by overcoming current limiting serious Zn²⁺/dye insulating complex formation and CdS photo-corrosion issues. The X-ray diffraction and the scanning electron microscopy confirm the ZnO with vertically aligned nanoplates, perpendicular to the substrate surface. Amorphous CdS is monitored using electron dispersive X-ray analysis. The low and high resolution transmission electron microscope images confirm the presence of CdS nanoparticles over ZnO nanoplates which later is supported by an increase in optical absorbance and shift in band edge. About 400% increase in solar conversion efficiency with this cascade arrangement is achieved when compared with without CdS which could be fascinating while designing solid state solar cells in presence of suitable p-type layer.     

Modellierung und numerische Simulation der Thermoregulation von Früh- und Neugeborenen

Bei frühgeborenen S?uglingen spielt die Thermoregulation zur Aufrechterhaltung einer überlebenswichtigen K?rpertemperatur durch W?rmeproduktion, -abgabe bzw. -aufnahme eine entscheidende Rolle. Der Einsatz moderner Inkubatoren soll die k?rpereigenen Thermoregulatoren unterstützen, und es ist im Hinblick auf verschiedene medizinische Fragestellungen wünschenswert, diesen Prozess modellieren zu k?nnen. Wir stellen ein einfaches Modell auf der Basis von partiellen Differentialgleichungen vor und beschreiben detailliert die numerische Simulation mit Hilfe einer Finite-Volumen-Methode. Dazu wird ein zweidimensionales Modell eines Frühgeborenen trianguliert und das Modell diskretisiert. Zahlreiche numerische Resultate zeigen die Qualit?t unseres Modells.     

Numerical aspects of TV flow

The singular diffusion equation called total variation (TV) flow plays an important role in image processing and appears to be suitable for reducing oscillations in other types of data. Due to its singularity for zero gradients, numerical discretizations have to be chosen with care. We discuss different ways to implement TV flow numerically, and we show that a number of discrete versions of this equation may introduce oscillations such that the scheme is in general not TV-decreasing. On the other hand, we show that TV flow may act self-stabilising: even if the total variation increases by the filtering process, the resulting oscillations remain bounded by a constant that is proportional to the ratio of mesh widths. For our analysis we restrict ourselves to the one-dimensional setting.     

Addition of multiwalled carbon nanotube and graphene nanosheet in cobalt oxide film for enhancement of capacitance in electrochemical capacitors

In order to enhance the capacitance of electrochemical capacitors, multiwalled carbon nanotubes (MWCNTs) and graphene nanosheets (GNS) were added to cobalt oxide (Co₃O₄) paste. The composite film based on Co₃O₄/MWCNT/GNS (95:4:1 wt%) exhibited a capacitance of 294 F/g while the capacitance of Co₃O₄/MWCNT (95:5 wt%) and pure Co₃O₄ film is 205 and 163 F/g, respectively. The enhanced capacitance of Co₃O₄/MWCNT/GNS composite film was attributed to the electrochemical contributions of the Co₃O₄ nanoparticle attached to the GNS as well as their significantly increased specific surface areas by MWCNTs. Furthermore, the composite films showed faradaic redox capacitive behavior to double-layer capacitive behavior due to the different nanostructures of the composites.     

Schizonticidal antimalarial sesquiterpene lactones from Magnolia champaca (L.) Baill. ex Pierre: microwave-assisted extraction,HPTLC fingerprinting and computational studies

The present study explored the schizonticidal potential of traditionally used Magnolia champaca (L.) Baill. ex. Pierre flowers, identifying constituents of interest. The extraction of phytoconstituents was carried out by microwave-assisted technique, isolated via column chromatography, and characterised by various physicochemical, spectral (IR, 1H-NMR and Mass) and chromatographic (HPTLC) techniques. Both the isolated compounds (parthenolide and costunolide diepoxide) exhibited potent schizonticidal antimalarial activity during primary screening in rodent models, with maximum parasitaemia suppression (85.18% and 83.65%, respectively) at a dose of 20 mg/kg body weight when compared to the standard drugs chloroquine and artesunate. In silico techniques were employed to identify the probable biological target and mechanism of action of these isolated compounds. Molecular docking studies also predicted the binding orientations and multi-targeted action of these compounds, in particular costunolide diepoxide with maximum affinity towards SERCA and DHFR proteins. Additionally, favourable in silico ADMET parameters were envisaged through various computational programmes.     

Peter von Jülich – De modo mensurandi vasa. Ein Traktat zur Fassmessung aus dem frühen 15. Jahrhundert. Herausgegeben, übersetzt und kommentiert von Menso Folkerts und Martin Hellmann

Mathematische Semesterberichte -     

CsF promoted rapid synthesis of spirooxindole-pyran annulated heterocycles at room temperature in ethanol

A newer, versatile, and straightforward synthetic strategy for the construction of functionalized spirooxindole-pyran annulated heterocycles is described. The procedure is based on CsF-promoted rapid tandem Knoevenagel-Michael-Cyclocondensation reaction of isatin, malononitrile, and 4-hydroxycoumarin/barbituric acids/pyrazolone at room temperature in ethanol. This methodology has various advantages like easy operational, excellent yields within short reaction time (3-25 min), and simple isolation of products. The CsF has a dual role as a base and carbonyl activator.