Investigations of dual-frequency nematic liquid crystals doped with dichroic dye

In this work, we studied and analysed a particular variety of liquid crystals, the so-called dual-frequency nematic liquid crystals (DFNLCs). The interest was to perform dielectric spectroscopy and optical characterisation with two pure and doped mixtures of DFNLCs. By means the dielectric spectroscopy we observed a low value of crossover frequency at room temperature for one dye doped mixture. Additionally, in the spectra studies, a scattering of light at cross-frequency, and a stable and unstable focal conical state was observed, respectively, for the investigated mixtures.     

Different approaches for fabrication of low-cost electrochemical sensors

Electrochemistry combined with economical and sustainable platforms (such as paper) provides portable, affordable, robust, and user-friendly devices. In general, techniques, such as photolithography and sputtering, are excellent alternatives for producing these platforms. However, owing to the requirement of expensive and sophisticated instrumentation, as well as cleanroom facilities, these techniques have limited access. Thus, the search for easy to use and produce approaches have been reported, using consumables, including adhesives, carbon ink, graphite, pencil, office paper, paperboard, among others. In this sense, in this mini-review, we discuss various strategies explored to fabricate low-cost electrochemical sensors, including its main applications. Different manufacturing methods, such as screen and stencil printing, laser-scribing, and pencil drawing, will be discussed here, emphasizing the performance of the obtained devices, in addition to their advantages and disadvantages.     

A Posteriori Error Estimates for an Optimal Control Problem with a Bilinear State Equation

Journal of Optimization Theory and Applications - We propose and analyze a posteriori error estimators for an optimal control problem that involves an elliptic partial differential equation as...     

Further Withaphysalin Derivatives from Acnistus arborescens

Two new epimeric chlorinated withaphysalins, rel‐(4β,5β,6α,18S,22R)‐ and rel‐(4β,5β,6α,18R,22R)‐6‐chloro‐18,20‐epoxy‐18‐ethoxy‐4,5‐dihydroxy‐1‐oxowitha‐2,24‐diene‐26,22‐lactone ( 1 and 2 resp.), together with the new rel‐(4β,5β,6α,18R,22R)‐6‐chloro‐18,20‐epoxy‐4,5‐dihydroxy‐18‐methoxy‐1‐oxowitha‐2,24‐diene‐26,22‐lactone ( 3 ) and rel‐(3β,4β,5β,6β,18R,22R)‐5,6:18,20‐diepoxy‐3,18‐diethoxy‐4‐hydroxy‐1‐oxowith‐24‐ene‐26,22‐lactone ( 4 ) were isolated from the leaves of Acnistus arborescens and named withaphysalins T–W, respectively. The final structures and the complete ¹H‐ and ¹³C‐NMR assignments of the three chlorowithaphysalins 1 – 3 were performed by means of HR‐ESI‐MS and 1D‐ and 2D‐NMR experiments, including COSY, HSQC, and HMBC, beside comparison with spectral data of analogous compounds from the literature. The structure of 4 was also confirmed by means of a single‐crystal X‐ray diffraction analysis.     

Terpenoids from Croton regelianus

Two new terpenoids, the bisnorditerpene rel‐(5β,8α,10α)‐8‐hydroxy‐13‐methylpodocarpa‐9(11),13‐diene‐3,12‐dione ( 1 ) and the guaiane sesquiterpene rel‐(1R,4S,6R,7S,8aR)‐decahydro‐1‐(hydroxymethyl)‐4,9,9‐trimethyl‐4,7‐(epoxymethano)azulen‐6‐ol ( 2 ), together with seven known compounds, were isolated from Croton regelianus var. matosii. The structures of the isolated compounds were determined by HR‐ESI‐TOF and a combination of 1D‐ and 2D‐NMR experiments.     

A three-state surface-confined molecular switch with multiple channel outputs

A self-assembled monolayer of a tetrathiafulvalene derivative on indium tin oxide is shown to operate as a ternary redox switch in which the magnetic and optical outputs are employed to provide a readout of the state. This surface-confined molecular switch exhibits excellent reversibility and stability and is thus promising for the development of molecular electronics.     

Influence of a helical pitch on orthoconic antiferroelectric liquid crystals performance

Orthoconic antiferroelectric liquid crystals, whose half cone angle is 45°, are of interest in display technology because they are capable of providing greyscale in passively addressing waveform while exhibiting very good contrast. However, orthoconic antiferroelectrics having short pitch are difficult to be aligned, this makes surface stabilized alignment unfeasible. In this case, dynamic behaviour is usually poor, avoiding electronic addressing with standard electronics. In this work, we report the helical pitch measurements of OAFLC mixtures and we compare electrooptical performance of high and low pitch OAFLCs.     

Investigation of thermal behavior of Heliotropium indicum L. lyophilized extract by TG and DSC

Thermogravimetric (TG) techniques and differential scanning calorimetry (DSC) used for the study of pre-formulation or drug–adjuvant compatibility have been gaining importance in Brazil. These techniques are being used for the verification of possible interactions between drugs and adjuvants. Aiming at studying the behavior of a plant extract and its mixture with adjuvants, using these thermoanalytical techniques the plant species Heliotropium indicum L. was used. This plant which is originally from India and has been well acclimatized in Brazil has healing and anti-inflammatory properties. The methodology for obtaining the extract followed the Brazilian Pharmacopoeia methodology. And the incorporation of the extract with adjuvants was through binary mixtures (1:1 w/w). The TG and DSC curves were obtained under nitrogen atmosphere (25 mL min^?1) at a heating rate of 5 °C min^?1; TG tests were analyzed within a temperature range from 25 to 600 °C and DSC from 25 to 300 °C. The TG curves show good thermal stability of the extract and its mixtures with adjuvants up to 150 °C, except the propylene glycol (PLG). The DSC curves revealed an incompatibility of the extract with methylparaben and PLG mixture.     

A multireference configuration interaction study with singles and doubles of some mesoionic rings: reaction and activation free energies for the ring-opening reaction

For the first time, multireference configuration interaction with singles and doubles (MR-CISD) calculations (including extensivity corrections, MR-CISD+Q) have been performed to study the ring-opening reactions of the following mesoionic rings and their 2, 3, and 4 methyl-substituted derivatives: ( a ) 1,3-oxazol-5-one, ( c ) 1,3-oxazol-5-thiolate, and ( d ) 1,3-thiazol-5-thiolate. The ring-opening reaction of the parent 1,3-thiazol-5-one mesoionic ring ( b ) has also been studied. The effect of methyl and S replacement on the reaction and activation free energies (ΔG and ΔG^†, respectively) is studied. For a , the effect of methyl replacement on C2 is almost negligible, while on N3 and C4, it is significantly larger, especially in the latter position. The open structure (ketene form) of a is considerably more stable, and the replacement of the exocyclic O by S stabilizes the ketene tautomer even more and increases ΔG^† considerably. On the other hand, replacement of the endocyclic O by S (yielding b ) completely prevents the formation of the open structure, while replacement of both endo and exo atoms strongly stabilizes the cyclic structure and leads to a remarkably high value of ΔG^†. In some cases, the relative polarity of the stationary points is used to estimate how ΔG and ΔG^† are expected to change as one goes from the gas phase to aprotic polar solvents. A linear correlation between the multiconfigurational character of the mesoionic rings and ΔG^† has been observed, and such correlation is used to estimate the ΔG^† values for the methyl-substituted c and d . The largest barrier (13.78 kcal/mol) has been obtained for the 4-methyl-1,3-thiazol-5-thiolate (4-m- d ).