HPTLC Procedure for Determination of Levonorgestrel in the Drug-Release Media of an In-situ-Forming Delivery System

JPC – Journal of Planar Chromatography – Modern TLC -     

Nuclear structure of 47Sc: (I). Gamma-ray correlations and lifetime measurements

Levels of ⁴⁷Sc below an excitation energy of 2.7 MeV have been investigated through the ⁴⁴Ca(α, pγ)⁴⁷Sc reaction. Gamma-ray spectra in coincidence with protons were recorded with a Ge(Li) detector positioned at several angles and at α-energies of 10.15 and 11.00 MeV. Level positions, lifetimes, decay modes and spin values were deduced from these measurements. This study was supplemented by a γ-γ coincidence measurement. The electromagnetic properties for the negative parity states are compared with intermediate coupling predictions. A classification of the positive parity states into several rotational bands is proposed.     

Unraveling the Bimodality of Polypropylene Film Grades Using Rheological Shear and Elongational Measurements: Inconsistent Results of Gel Permeation Chromatography

As the main parameter to describe the molecular structure of a linear polymer, molecular weight distribution of five different polypropylene grades was evaluated through measurements of gel permeation chromatography and rheology experiments. From their dynamic shear data, the relaxation spectra, h(τ), were calculated from which molecular weight distribution was estimated using molecular viscoelastic theories and then compared with the gel permeation chromatography results. Generally good agreement, yet with narrower molecular weight distribution rheology curves was found. Exception was observed for one grade for which rheological data predicted bimodal distribution curve comprising a small shoulder of high molecular weight, not seen in the corresponding gel permeation chromatography curve. Additionally, a higher value of the generalized mixing parameter (i.e. β) was found for this bimodal grade which was attributed to an increase in the number of entanglements per chain and better network connectivity. Furthermore, measurements of the transient extensional viscosity also revealed enhanced strain hardening and melt strength for this particular grade. The results showed that small amount of high molecular weight fraction of linear chains could drastically alter the processing behavior of polypropylene film grades.     

Interaction of coinage metal clusters with chalcogen dihydrides

The interaction of chalcogen dihydrides (H 2E; E = O, S, and Se) with small coinage metal clusters (M n ; M = Cu, Ag, and Au, n = 3 and 4) is studied based on density functional theory, with a focus on the nature of chalcogen-metal bonds. A newly developed pseudopotential-based correlation-consistent basis set is used for metal clusters together with the 6-311++G** basis set for the remaining atoms. Geometrical data identified that no significant deviation has been observed for molecules before and after complexation. For these three metals, binding energy calculations indicate that gold has the highest and silver has the lowest affinities for interaction with H 2E. In comparison with gold and copper, complexation between silver and chalcogen dihydrides is significantly weaker. It is found that interaction of H 2E molecules with the coinage metals have the order of H 2Se > H 2S > H 2O. Therefore, in agreement with experimental works, our calculations confirm that the gold-selenium bond is the most stable. The nature of M-E bonds is also interpreted by means of the quantum theory of atoms in molecules (QTAIM) and natural bond orbital (NBO) analyses. According to the QTAIM results, the bonds are found to be partially ionic and partially covalent. Natural resonance theory (NRT) is used to calculate natural bond order and bond polarity. The NRT result indicates that the percentage of polarity of M-E bonds is affected by coinage metals.     

Pd-catalyzed aryl amination mediated by well defined, N-heterocyclic carbene (NHC)-Pd precatalysts, PEPPSI

Pd-N-heterocyclic carbene (NHC)-catalyzed Buchwald-Hartwig amination protocols mediated by Pd-PEPPSI precatalysts is described. These protocols provide access to a range of hindered and functionalized drug-like aryl amines in high yield with both electron-deficient and electron-rich aryl- and heteroaryl chlorides and bromides. Variations in solvent polarity, base and temperature are tolerated, enhancing the scope and utility of this protocol. A mechanistic rationalization for base strength (pKb) requirements is also provided.     

Observation and assignment of phonon combination bands in the far infrared dielectric response of GaAs

A determination by dispersive Fourier transform spectroscopy of the frequency dependence of the anharmonic self-energy of the q??O transverse optic phonon in GaAs at 300 and 6 K is presented. The measured self-energy function is compared with the two-phonon density of states function calculated from an 11-parameter rigid ion model, and the model is found to account satisfactorily for all features in the measured spectrum as phonon combination bands.