Quality control and analytical test method for Taxus baccata tincture preparation

The homeopathic tincture of Taxus baccata L. is monographed in the current German Homeopathic Pharmacopoeia (HAB 2009). However, the described identification test is a common comparative TLC procedure that might be updated. The purpose of the current work was the quali-quantitative analysis by HPLC/DAD/MS of Taxus tincture. In this study we characterized polyphenolic compounds, in particular four hydroxycinnamic derivatives (0.85 mg/mL) and four flavonoids (quercetin and kaempferol 3-O-rutinoside and xylosyl glucosides); the total polyphenol content was 1.265 mg/mL of tincture. Starting from the official German Homeopathic Pharmacopoeia method of preparation, the aim of this work was to optimize a rapid and reproducible method for the analysis of herbal drugs and tincture, directly prepared in store or the herbalist's shop, to ensure safety and efficacy of the preparation. The procedure has to ensure validation, robustness of the results, and provide a quick response about the composition of compounds in the herbal drug preparation.     

Polyaniline nanofiber–silica composite aerogels

Strong, electrically conducting aerogels were prepared by introducing polyaniline nanofibers to a silica sol just prior to gelation and drying through supercritical carbon dioxide processing. The addition of a few milligrams of polyaniline per cm³ increased the flexural strength of the cylindrical monoliths by 200%. Using preformed polymeric nanofibers avoided filling of microporosity often observed with polymer reinforcement of aerogels and allowed preparation of polyaniline–silica composite aerogels with surface areas over 900 m²/g. Despite the small amount of polyaniline nanofibers (1.3–16.5 wt.%), the composite aerogels were electrically conducting (8.0 × 10^? 8–1.83 × 10^? 5 S/cm) and it was possible to prepare chemiresistor sensors for detection of acidic (HCl) and basic (ammonia) gaseous molecules with response times similar to thin film sensors containing orders of magnitude more polyaniline.     

Thermal and electrical properties of Tri Glycine Sulpho Phosphate (TGSP) and L‐Asparagine doped TGSP crystals

Tri Glycinsulphate with partial substitution of phosphoric acid, namely Tri Glycine Sulpho Phosphate (TGSP) has been grown by slow cooling method. Habit modifications have been observed with change in the concentration of ortho phosphoric acid (H₃PO₄). Monoclinic structure of the grown crystals has been confirmed using X‐ray diffraction analysis. TGSP crystals doped with L – Asparagine were also grown. The doping effect is qualitatively estimated using FTIR analysis. TGA, DTA studies and dielectric measurements were carried out for pure and L‐Asparagine doped TGSP crystals to investigate the thermal and electrical properties of the crystals. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Structure and Reactivity of Al−O(H)−Al Moieties in Siloxide Frameworks: Solution and Gas‐Phase Model Studies

Even though aluminas and aluminosilicates have found widespread application, a consistent molecular understanding of their surface heterogeneity and the behavior of defects resulting from hydroxylation/dehydroxylation remains unclear. Here, we study the well‐defined molecular model compound, [Al₃(μ₂‐OH)₃(THF)₃(PhSi(OSiPh₂O)₃)₂], 1 , to gain insight into the acid–base reactivity of cyclic trinuclear Al₃(μ₂‐OH)₃ moieties at the atomic level. We find that, like zeolites, they are sufficiently acidic to catalyze the isomerization of olefins. DFT and gas phase vibrational spectroscopy on solvent‐free and deprotonated 1 show that the six‐membered ring structure of its Al₃(μ₂‐OH)₃ core is unstable with respect to deprotonation of one of its hydroxy groups and rearranges into two edge‐sharing four‐membered rings. This renders Al_IV?O(H)?Al_IV units strong acid sites, and all results together suggest that their acidity is similar to that of zeolitic Si_IV?O(H)?Al_IV groups.     

New convergence results on functional iteration techniques for the numerical solution of M/G/1 type Markov chains

Summary. By performing an accurate analysis of the convergence, we give a complete theoretical explanation of the experimental behaviour of functional iteration techniques for the computation of the minimal nonnegative solution of the matrix equation , arising in the numerical solution of M/G/1 type Markov chains (here the 's are nonnegative matrices such that the matrix is column stochastic). Moreover, we introduce a general class of functional iteration methods, which includes the standard methods, and we give an optimality convergence result in this class. Received September 1, 1995 / Revised version received September 9, 1996     

F 2-FDG NMR imaging of the brain in rat

Images of the rat head reflecting glucose utilization were obtained using 2-fluoro-2-deoxy-D-glucose (2-FDG) and ¹⁹F nuclear magnetic resonance (NMR) imaging. Spatial heterogeneity of glucose utilization in the rat head was clearly demonstrated showing significantly higher glucose utilization in the brain as compared to the surrounding tissues. Although the potential adverse effects of the high doses of 2-FDG (400 mg/kg) needed to perform the study preclude immediate application of this technique to clinical quantitative glucose utilization studies, the present study shows potential for future development of glucose utilization imaging by NMR.     

Adapted numerical modelling of the Belousov–Zhabotinsky reaction

Adapted numerical schemes for the integration of differential equations generating periodic wavefronts have reported benefits in terms of accuracy and stability. This work is focused on differential equations modelling chemical phenomena which are characterized by an oscillatory dynamics. The adaptation is carried out through the exponential fitting technique, which is specially suitable to follow the apriori known qualitative behavior of the solution. In particular, we have merged this strategy with the information coming from existing theoretical studies and especially the observation of time series. Numerical tests will be provided to show the effectiveness of this problem-oriented approach.     

A Biomimetic Nickel Complex with a Reduced CO2 Ligand Generated by Formate Deprotonation and Its Behaviour towards CO2

Reduced CO₂ species are key intermediates in a variety of natural and synthetic processes. In the majority of systems, however, they elude isolation or characterisation owing to high reactivity or limited accessibility (heterogeneous systems), and their formulations thus often remain uncertain or are based on calculations only. We herein report on a Ni?CO₂^2? complex that is unique in many ways. While its structural and electronic features help understand the CO₂‐bound state in Ni,Fe carbon monoxide dehydrogenases, its reactivity sheds light on how CO₂ can be converted into CO/CO₃^2? by nickel complexes. In addition, the complex was generated by a rare example of formate β‐deprotonation, a mechanistic step relevant to the nickel‐catalysed conversion of H_xCO_y^z? at electrodes and formate oxidation in formate dehydrogenases.     

Exclusive Free Radical Mechanisms of Cellular Photosensitization

In order to determine the specific effects of radical-induced reactions in the absence of complicating excited-state pathways, four different thiohydroxamic esters and their parent molecule, N-hydroxypyridine-2(1H)-thione, have been studied in murine L1210 leukemia cells for their ability to produce photobiological damage. Irradiation (X_exc= 355 nm) of cells in the presence of thiopyridone esters, specific photolytic precursors of sulfur-, carbon- and oxygen-centered radicals, caused toxicity that was unambiguously demonstrated to result from radical photosensitization mechanisms. Cellular morphological changes were observed following irradiation but apoptosis was not found to take place. A good correlation was evident between lipid peroxidation, measured by the thiobarbituric acid method, and phototoxicity, assessed by the trypan blue exclusion assay, indicating that the ester derivatives exert their effects mainly in plasma and/ or subcellular membranes. Irradiation performed under deaerated conditions also induced significant phototoxicity but the effects of deaeration were dependent on the ester used and are discussed in terms of the nature of the primary radical species generated in each case. Irradiation of L1210 cells in the presence of N-hydroxypyridine-2(1H)-thione, a nonspecific, photochemical source of hydroxyl radical, was also found to trigger phototoxicity and lipid peroxidation. However in this case, photodamage cannot yet be definitely attributed to a radical or type II mechanism although the apparent oxygen independence of phototoxicity would indicate that type II contribution is not significant.