Proton addition to excited diazaphenanthrenes topology determined molecular properties

Absorption and luminescence spectra, depopulation kinetics of the lowest excited singlet and triplet states and acid-base equilibria were investigated for neutral and protonated diazaphenanthrenes: 2,3-, 1,4- and 5,6-DAF. The spectroscopical results are correlated with CNDO/S calculations. Profound influence of topology upon photophysical and chemical (basicity) properties has been stated and discussed.     

Exact solution to a parametric linear programming problem

In this paper, we present a cubically convergent method for finding the largest eigenvalue of a nonnegative irreducible tensor. A cubically convergent method is used to solve an equivalent system of nonlinear equations which is transformed by the tensor eigenvalue problem. Due to particular structure of tensor, Chebyshev’s direction is added to the method with a few extra computation. Two rules are designed such that the descendant property of the search directions is ensured. The global convergence is proved by using the line search technique. Numerical results indicate that the proposed method is competitive and efficient on some test problems.     

An algebraic formula for the intersection number of a polynomial immersion

An algorithm is presented for computing the topological degree for a large class of polynomial mappings. As an application there is given an effective algebraic formula for the intersection number of a polynomial immersion M→R^2m, where M is an m-dimensional algebraic manifold.     

Simultaneous Production of Lipids and Carotenoids by the Red Yeast Rhodotorula from Waste Glycerol Fraction and Potato Wastewater

Applied Biochemistry and Biotechnology - Abstract The objective of this study was to determine the possibility of simultaneous biosynthesis of lipids and carotenoids by the Rhodotorula yeast...     

Comparative investigation of reactivity of different kinds of fly ash in alkaline media

Comparison of the influence of temperature and different alkali activators on the reactivity of two types of fly ash (conventional, fluidized) was presented. The main emphasis was put on fluidized fly ash as potential component of binding mixtures containing low amount of cement. Conventional fly ash was used as a reference. It was found that for these materials the key differences affecting products of activation are: availability of calcium and sulfate ions as well as structure of fly ash grains influencing dissolution of aluminate and silicate species. Fluidized fly ash, contrary to conventional fly ash, undergoes reaction in 0.1 M solutions of hydroxides forming mainly ettringite. In the case of 4 M hydroxides, both fly ashes undergo hydration processes. Conventional fly ash formed mainly amorphous aluminosilicate gel, while fluidized fly ash may create zeolitic products especially in the case of elevated temperature of early hydration. Sulfate and alkali ions can be incorporated into aluminosilicate structure of new formed products; however, this process depends strictly on the type of used hydroxide and its concentration. The presence of Ca(OH)₂, carbonates and alkali sulfates was also registered in the case of hydrated fluidized fly ash.

     

C, N CPMAS NMR and GIAO DFT calculations of stereoisomeric oxindole alkaloids from Cat's Claw (Uncaria tomentosa)

Oxindole alkaloids, isolated from the bark of Uncaria tomentosa [Willd. ex Schult.] Rubiaceae, are considered to be responsible for the biological activity of this herb. Five pentacyclic and two tetracyclic alkaloids were studied by solid-state NMR and theoretical GIAO DFT methods. The ¹³C and ¹⁵N CPMAS NMR spectra were recorded for mitraphylline, isomitraphylline, pteropodine (uncarine C), isopteropodine (uncarine E), speciophylline (uncarine D), rhynchophylline and isorhynchophylline. Theoretical GIAO DFT calculations of shielding constants provide arguments for identification of asymmetric centers and proper assignment of NMR spectra. These alkaloids are 7R/7S and 20R/20S stereoisomeric pairs. Based on the ¹³C CP MAS chemical shifts the 7S alkaloids (δ C3 70–71 ppm) can be easily and conveniently distinguished from 7R (δC3 74.5–74.9 ppm), also 20R (δC20 41.3–41.7 ppm) from the 20S (δC20 36.3–38.3 ppm). The epiallo-type isomer (3R, 20S) of speciophylline is characterized by a larger ¹⁵N MAS chemical shift of N4 (64.6 ppm) than the allo-type (3S, 20S) of isopteropodine (δN4 53.3 ppm). ¹⁵N MAS chemical shifts of N1–H in pentacyclic alkaloids are within 131.9–140.4 ppm.     

Usage of supplementary cementitious materials: advantages and limitations

Journal of Thermal Analysis and Calorimetry - It is well known that cement production is not neutral for natural environment among others due to high CO2 emission. Different strategies of...