Stability of O3 + N2, O3 + O2 and O3 + CO2 double hydrates: DFT study

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Stereochemistry of the citrate anion in compounds containing guanidinium and citrate ions

Journal of Structural Chemistry - An analysis is presented for the results obtained in the studies initiated by A. E. Shvelashivili, Corresponding Member, Academy of Sciences of Georgia, and...     

Et2Zn-mediated stoichiometric C(sp)-H silylation of 1-alkynes and chlorosilanes

A first example of an Et₂Zn mediated silylation of 1-aklynes is reported. A series of functional groups are tolerated in this reaction. Mechanistic studies support Zn alkynilides as intermediates in the reaction. This reaction protocol provides a practical method for the preparation of alkynylsilanes and expands the application of organometallic zinc in organic synthesis.     

Synthesis of lupeol derivatives and their antileishmanial and antitrypanosomal activities

The natural product lupeol 1 was isolated from aerial parts of Vernonia scorpioides with satisfactory yield, which made it viable to be used as starting material in semisynthetic approach. Ten lupeol derivatives 2–11 were prepared by classical procedures. Including, five new esters derivatives 7–11, which were obtained by structural modifications in the isopropylidene fragment. All semisynthetic compounds and lupeol 1–11 were confirmed by ¹H NMR, ¹³C NMR and HRMS. Their antiprotozoal activity was evaluated in vitro against L. amazonensis and T. cruzi. Derivative 6 showed the best antitrypanosomal activity (IC₅₀ = 12.48 μg/mL) and the lowest cytotoxic derivative (CC₅₀ = 161.50 μg/mL). The mechanism of action of the most active derivatives (4, 6 and 11) is not dependent from the enzyme trypanothione reductase.     

Comprehensive heat exchange model for a semiconductor laser diode

By measuring the total energy flow from an optical device, we can develop new design strategies for thermal stabilization. Here we present a comprehensive model for heat exchange between a semiconductor laser diode and its environment that includes the mechanisms of conduction, convection, and radiation. We perform quantitative measurements of these processes for several devices, deriving parameters such as a laser's heat transfer coefficient, and then demonstrate the feasibility of thermal probing for the nondestructive wafer-scale characterization of optical devices.     

Note on B-splines, wavelet scaling functions, and Gabor frames

Let g be a continuous, compactly supported function on such that the integer translates of g constitute a partition of unity. We show that the Gabor system (g,a,b), with window g and time-shift and frequency-shift parameters a,b>0 has no lower frame bound larger than 0 if b=2,3,... and a>0. In particular, (g,a,b) is not a Gabor frame if g is a continuous, compactly supported wavelet scaling function and if b=2,3,... and a>0. We give an example for our result for the case that g=B/sub 1/, the triangle function supported by [-1,1], by showing pictures of the canonical dual corresponding to (g,a,b) where ab=1/4 and b crosses the lines N=2,3,.