Effects and Characterization of Some Topical Ointments Based on Vegetal Extracts on Incision,Excision, and Thermal Wound Models

The present paper aims to formulate and characterize four phytotherapeutic ointments based on Hippophae fructus, Calendulae flos, Bardanae folium, and Millefolii herba, which are included in a novel ointment base. In order to investigate the healing properties of the ointments, in vivo experimental wound models of linear incision, circular excision, and thermal burn were performed on Wistar rats. Topical treatment was performed daily for 21 days. Determination of the wound contraction rate (WCR), the period of reepithelization, and histopathological examination were achieved. Additionally, for the tested ointments, oscillatory and rotational rheological tests were carried out, and for the extracts, HPLC analysis was performed. The results demonstrate that the tested novel ointments are safe for use and the most effective ointment proved to be the one based on Arctium lappa, followed by that of Calendulae flos.     

Synthesis and characterization of the inclusion complex between repaglinide and sulfobutylether-β-cyclodextrin (Captisol®)

An inclusion complex between repaglinide and a cyclodextrin derivative, 7-sulfobutylether-β-cyclodextrin (Captisol^®) was synthesized and characterized taking into account its possible benefits regarding the solubility, thus the bioavailability of repaglinide (an oral antidiabetic, carbamoyl methyl benzoic acid, practically insoluble in water, used for the treatment of type II diabetes mellitus). In order to establish the optimal conditions for the synthesis, phase-solubility studies were performed. Their results (A_L type phase-solubility diagram), as well as the chromatographic retention behavior of repaglinide in the presence of Captisol^® indicated that an 1:1 inclusion complex is formed. The estimated apparent stability constant, according to the Higuchi-Connors method is 530 M^?1. These data were confirmed by ¹H-NMR, IR, DTA of the inclusion complex prepared through lyophilization.     

New exact solutions corresponding to the second problem of Stokes for second grade fluids

New exact solutions for the velocity field corresponding to the second problem of Stokes, for second grade fluids, have been established by the Laplace transform method. These solutions, presented as a sum of the steady-state and transient solutions, are in accordance with the previous solutions obtained by a different technique. The required time to reach the steady state is determined by graphical illustrations. This time decreases if the frequency of the velocity increases. The effects of the material parameters on the decay of the transients are also investigated by graphs.     

Synthesis of new quinuclidine derivatives via Pd-mediated cross-coupling and cross-benzannulation reactions

New functionalized quinuclidines were prepared via palladium-catalyzed addition reactions of terminal alkynes (donors) to internal alkynes (acceptors). The enantiopure terminal alkynes were derivatives of quincoridine and quincorine, two semi-natural Cinchona alkaloids. The processes exhibited high chemoselectivity and excellent diastereoselectivity, the E-enynes being obtained as single products in almost all cases. The synthesis of new tetra and pentasubstituted benzene derivatives in good yields by [2+2+2] benzannulation of the diynes, obtained by the palladium-catalyzed homodimerization of 10,11-didehydro quincoridine and 10,11-didehydro quincorine, with terminal alkynes and in fair yield by [4+2] benzannulation of an enyne derivative of 10,11-didehydro quincoridine with 2,4-hexane-diyne are reported.     

Discrimination of GalNAc (4S/6S) sulfation sites in chondroitin sulfate disaccharides by chip-based nanoelectrospray multistage mass spectrometry

Sulfation pattern within chondroitin sulfate (CS) glycosaminoglycan (GAG) chains is an important post-translational modification that regulates their interaction with proteins. In this context, development of highly efficient and reproducible analytical methods for the investigation of CS sulfation patterns is of high necessity. In this study we report a novel method for straightforward determination of N-acetylgalactosamine (GalNAc) sulfation sites in chondroitin sulfate disaccharides. Our protocol involves combining fully automated chip-based nanoelectrospray (nanoESI) for analyte infusion and ionization in negative ion mode with multistage (MSⁿ) collision-induced dissociation (CID) high capacity ion trap (HCT) mass spectrometry for generation of sequence ions diagnostic for identification of sulfate ester group position within GalNAc residues. The feasibility of this approach is here demonstrated on chondroitin 6-O-sulfate and chondroitin 4-O-sulfate disaccharides. Fragmentation patterns obtained by MS² and MS³ sequencing stages provided first mass spectrometric data from which sulfation site(s) within GalNAc monosaccharide ring could be unequivocally deciphered. Hence, the method allowed discriminating 4S/6S sulfation sites solely on the basis of MS and multistage MS evidence.      

Molecular modeling of phenothiazine derivatives: self-assembling properties

This study aims to present a detailed theoretical investigation of noncovalent intermolecular interactions between different π-π stacking phenothiazine derivatives and between different alkane chains varying from propane to decane. Second-order M?ller-Plesset perturbation (MP2), coupled cluster (CC), and density functional (DFT) theories were the quantum chemistry methods used in our calculation. For MP2 and CC methods, the density-fitting and local approximations were taken into account, while in the case of DFT, the M06 and M06-2x hybrid meta-GGA exchange-correlation functionals as well as the semiempirical correction to the DFT functional for dispersion (BLYP-D) was considered. The results obtained with the aforementioned methods were compared with the potential energy curve given by the DF-SCSN-LMP2 theory considered as benchmark. For all these calculations, the correlation-consistent basis sets of cc-pVNZ (where N = D, T, Q) were used. In addition, potential energy curves built using the semiempirical PM6-D2 and the MM3 molecular force field methods were also compared with the benchmark curve and their efficiency was discussed. As the next step, several geometry conformations were investigated for both phenothiazine derivatives and alkane chain dimers. It was found that the conformational stability of these molecular systems is exclusively given by the dispersion-type electron correlation effects. The density functional tight-binding (DFTB) method applied for dimer structures was compared with the results obtained by the higher level local perturbation theory method, and based on these conclusions larger phenothiazine derivative oligomers structures were investigated. Finally, the optimal configuration of the complex molecular systems built by phenothiazine derivative, alkane chain fragments, and thiol groups was determined, and their self-assembling properties were discussed.     

Synthesis and electronic properties of terthienyls β-substituted by (thienyl)cyanovinylene groups

Terthienyls functionalized at their two outer β,β′-positions by 2- and 3-(thienyl)cyanovinyl groups have been synthesized by basic condensation. The analysis of their electronic properties by UV-vis spectroscopy and cyclic voltammetry shows that the mode of derivatization affects essentially the LUMO level of the conjugated system.     

Stratifying systems via relative simple modules

In this paper we continue the study of stratifying systems, which were introduced by K. Erdmann and C. Sáenz in [Comm. Algebra 31 (7) (2003) 3429–3446]. We show that this new concept provides a categorical generalization of the Δ-modules for a standardly stratified algebra.     

Activation of SO2 and CO2 by Trivalent Uranium Leading to Sulfite/Dithionite and Carbonate/Oxalate Complexes

The first sulfite [{((^nP,MeArO)₃tacn)U^IV}₂(μ‐κ¹:κ²‐SO₃)] (tacn=triazacyclononane) and dithionite [{((^nP,MeArO)₃tacn)U^IV}₂(μ‐κ²:κ²‐S₂O₄)] complexes of uranium from reaction with gaseous SO₂ have been prepared. Additionally, the reductive activation of CO₂ was investigated with respect to the rare oxalate [{((^nP,MeArO)₃tacn)U^IV}₂(μ‐κ²:κ²‐C₂O₄)] formation. This ultimately provides the unique S₂O₄^2?/C₂O₄^2? and SO₃^2?/CO₃^2? complex pairs. All new complexes were characterized by a combination of single‐crystal X‐ray diffraction, elemental analysis, UV/Vis/NIR electronic absorption, IR vibrational, and ¹H NMR spectroscopy, as well as magnetization (VT SQUID) studies. Moreover, density functional theory (DFT) calculations were carried out to gain further insight into the reaction mechanisms. All observations, together with DFT, support the assumption that SO₂ and CO₂ show similar (dithionite/oxalate) to analogous (sulfite/carbonate) activation behavior with uranium complexes.     

Synthesis and Antimicrobial Activity of New Derivatives of 1,3,4‐Thiadiazoles and 1,2,4‐Triazoles with 5‐Nitroindazole as Support

The synthesis of new derivatives of 1,3,4‐thiadiazoles and 1,2,4‐triazoles was achieved using the 1,4‐disubstituted thiosemicarbazides as intermediaries.