Advances in the computational analysis of SARS-COV2 genome

Nonlinear Dynamics - Given a data-set of Ribonucleic acid (RNA) sequences we can infer the phylogenetics of the samples and tackle the information for scientific purposes. Based on current data and...     

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.     

Photodiffraction in InGaAs/InGaAsP multiple quantum wells enclosed in a microcavity

We report new results on the diffraction properties of photoinduced gratings in InGaAs/InGaAsP MQW structures. The original feature of this device is that the QWs are enclosed in an asymmetric Fabry–Perot microcavity in order to increase the diffraction efficiency. We observe oscillations in the diffraction efficiency due to resonant effects in the microcavity. The experimental spectra are compared with theory. Diffraction efficiency at 1.55 μm attains a maximum value of 2.7% at a write beam fluence of 260 μ J cm⁻², and then decreases at higher fluences. We explain this phenomenon by an absorption saturation at high excitation.     

Two different synthetic routes involving the reaction of dodecylamine or nicotinamide with crystalline lamellar vanadylphosphate

The crystalline lamellar compound, VOPO₄·2H₂O, was employed as host to react with a long monoamine aliphatic chain, dodecylamine, and with an aromatic derivative, nicotinamide, using two distinct synthetic approaches: in the solid state and from aqueous solution. The resulting compounds were characterized by elemental analysis, infrared spectroscopy, X-ray diffractometry, thermogravimetry and SEM microscopy. From X-ray diffraction patterns, the calculated increase of the interlayer distance was 2.05 nm for the dodecylamine, containing product, which is in agreement with the intercalation process, and was observed with both reactions routes. On the contrary, the guest nicotinamide molecule was not inserted into the lamellar cavity. The reaction in the solid state caused a small modification of the phosphate microstructure, in comparison with the solution procedure. The aliphatic amine molecules are oriented in a bilayer inside the host cavity by forming an angle of 67° with the inorganic lamella. The thermal decomposition for both series of synthesized compounds did not demonstrate any difference in behavior.     

Thermodynamic study of a series lithium β-diketonates

Thermal behaviour of a series of lithium β-diketonates: Li(dpm) (dpm=dipivaloylmethanate (2,2,6,6-tetramethylheptane-3,5- dionate)), Li(pta) (pta=pivaloyltrifluoracetonate (2,2-dimethyl-6,6,6-trifluoro-3,5-hexanedionate)), Li(tfa) (tfa=trifluoracetylacetonate (1,1,1-trifluoro-2,4-pentandionate)), Li(hfa) (hfa=hexafluoracetylacetonate (1,1,1,5,5,5-hexafluoro-2,4-pentandionate)) has been investigated. Gas phase composition of these complexes has been established. Temperature dependences of vapor pressure of lithium compounds were obtained by static and dynamic methods, and thermodynamic parameters were calculated. Dependence of compound volatility on ligand structure is shown. For Li(dpm) detailed investigation has been done by differential scanning calorimetry (DSC).