Chemical Profiles and Pharmacological Properties with in Silico Studies on Elatostema papillosum Wedd

The current study attempted, for the first time, to qualitatively and quantitatively determine the phytochemical components of Elatostema papillosum methanol extract and their biological activities. The present study represents an effort to correlate our previously reported biological activities with a computational study, including molecular docking, and ADME/T (absorption, distribution, metabolism, and excretion/toxicity) analyses, to identify the phytochemicals that are potentially responsible for the antioxidant, antidepressant, anxiolytic, analgesic, and anti-inflammatory activities of this plant. In the gas chromatography-mass spectroscopy analysis, a total of 24 compounds were identified, seven of which were documented as being bioactive based on their binding affinities. These seven were subjected to molecular docking studies that were correlated with the pharmacological outcomes. Additionally, the ADME/T properties of these compounds were evaluated to determine their drug-like properties and toxicity levels. The seven selected, isolated compounds displayed favorable binding affinities to potassium channels, human serotonin receptor, cyclooxygenase-1 (COX-1), COX-2, nuclear factor (NF)-κB, and human peroxiredoxin 5 receptor proteins. Phytol acetate, and terpene compounds identified in E. papillosum displayed strong predictive binding affinities towards the human serotonin receptor. Furthermore, 3-trifluoroacetoxypentadecane showed a significant binding affinity for the KcsA potassium channel. Eicosanal showed the highest predicted binding affinity towards the human peroxiredoxin 5 receptor. All of these findings support the observed in vivo antidepressant and anxiolytic effects and the in vitro antioxidant effects observed for this extract. The identified compounds from E. papillosum showed the lowest binding affinities towards COX-1, COX-2, and NF-κB receptors, which indicated the inconsequential impacts of this extract against the activities of these three proteins. Overall, E. papillosum appears to be bioactive and could represent a potential source for the development of alternative medicines; however, further analytical experiments remain necessary.     

Donor-acceptor copolymers from cyclopentannulation polymerizations with dicyclopenta[cd,jk]pyrene and dicyclopenta[cd,lm] perylene acceptors

A series of donor-acceptor copolymers with dicyclopenta[cd,jk]pyrene and dicyclopenta[cd,lm]perylene acceptor units was prepared via palladium catalyzed cyclopenta-annulation reactions. The acceptor units were paired with diethynyl containing donor groups based on benzo[1,2-b:4,5-b’]dithiophene, thieno[3,2-b]thiophene, and 4-octyl-4H-dithieno[3,2-b:2′,3′-d]pyrrole to create six polymer variants. The cyclopentannulation polymerization resulted in copolymers with molecular weights (Mn) of 6–14 kDa and broad light absorption in the visible region with band gaps of 1.38–1.85 eV. The synthetic methodology, as well as optoelectronic properties, including thin-film absorption and cyclic voltammetry, of the donor-acceptor copolymers are presented.     

Temperature dependence of interband transition energy in InGaAsN strain-compensated quantum-well and ridge-waveguide lasers fabricated with pulsed anodic oxidation

Ridge-waveguide InGaAsN triple-quantum-well strain-compensated lasers grown by metal organic chemical vapor deposition were fabricated with pulsed anodic oxidation. The laser’s output power reached 145 mW in continuous-wave mode at room temperature for a 4-?m -stripe-width laser. Continuous-wave single longitudinal mode operation was maintained at a high injection current level with a wavelength of 1287.3 nm at room temperature. Single longitudinal mode operation at 1317.2 nm was achieved at twice the threshold current at 100 °C. The band gap of InGaAsN in the quantum wells at different temperatures was calculated and compared to the measured temperature-dependent laser wavelength.     

Positive value of information in games

We exhibit a general class of interactive decision situations in which all the agents benefit from more information. This class includes as a special case the classical comparison of statistical experiments à la Blackwell. AMS 2000 Subject Classification:Primary 91A35.The work of Bruno Bassan and Marco Scarsini was partially supported by MIUR-COFIN. The authors express their thanks to Sylvain Sorin for enlightening comments.     

Influence of moisture on the viscoelastic relaxations in long aliphatic chain contained semiaromatic polyamide, (PA9‐T) fiber

The effect of moisture on the mechanical relaxation processes of semiaromatic semicrystalline polyamides synthesized by a long‐chain aliphatic diamine and terephthalic acid was investigated by dynamic viscoelastic analysis (DVA) and differential scanning calorimetry (DSC). Moreover, the implication of moisture with the amorphous and crystalline domains was also examined by temperature‐dependent wide‐angle X‐ray diffraction and Fourier transform infrared spectra. The characteristics of the relaxations such as α, β, γ, and the pronounced peak shoulder appeared at 25–100 °C in DVA tan δ curves were found to be strongly susceptible to the presence of moisture. With moisture evaporation, the peak shoulder of 25–100 °C and the β‐relaxation disappeared. The former is anticipated to originate from to the side group motion of hydrogen‐bonded water, whereas the later one is from the motions of the amide–water complex units. With the disappearance of the β‐relaxation, the γ‐relaxation appeared simultaneously in much lower temperatures and ultimately coupled with the δ‐relaxation. The γ‐relaxation is attributed to be associated with the molecular motion of the amide group and δ‐relaxation with for the motion of the methylene units. The existence of two types of water was identified in the polymer, namely, tightly bound and loosely bound. The tightly bound water is believed to be directly connected by hydrogen bonding with the strong polar groups and the loosely bound water weakly links with those connected water making hydrogen bridges. The moisture acts as a plasticizer in the polymer matrix, which causes quite a large depression in its glass transition temperature (T_g). WAXD and FTIR studies corroborated the existence of water solely in amorphous regions, i.e., no rapport of water with the crystalline parts. © 2003 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 41: 2878–2891, 2003     

An investigation of tautomeric equilibria by means of mass spectrometry

Changes in the mass spectra with inlet temperature were used in this work to demonstrate the dependence of keto-enol tautomerism of acetylacetone, 3-methyl acetylacetone and 3-allyl acetylacetone on temperature. The largest dependence of temperature were shown by the ion [M ? 42]^+. arising from a McLafferty type rearrangement and by the ion [M ? Me]⁺ resulting from simple α-cleavage. The ion [M ? 42]^+. peak increases with the temperature of the inlet system while the ion [M ? Me]⁺ peak decreases. By assuming that the ion [M ? 42]^+. represents the keto form and that the ion [M ? Me]⁺ represents the cis-enol form (stabilized by the hydrogen bond) one sees that the direction of the intensity variation of these peaks with temperature is in accord with the expected change of keto-enol tautomerism with temperature. A quantitative correlation on the basis of the above assumptions is also approached. Recording of the mass spectra of these three β-diketones at different energies of the incident electrons enables us to estimate whether or not the particular ions present in the mass spectra result from energetically favourable processes. The variation of the intensities of the peaks with the temperature of the inlet at different electron energies is also discussed.     

Negative ion FAB mass spectroscopy of some ribose alkylated 5'-UMP derivatives

Characteristic fragment ions obtained in Fast atom bombardment (FAB) mass spectroscopy of ribose alkylated Uridine 5'-monophosphate (5'-UMP) derivatives in negative ion mode are described. All the compounds examined exhibited either [M]- or quasimolecular ion [M - H]- the fragmentations can be used to characterize these nucleotides.     

Three new cholinesterase-inhibiting cis-clerodane diterpenoids from Otostegia limbata

Three new tricyclic cis-clerodane type diterpenoids trivially named as limbatolide A (1), limbatolide B (2) and limbatolide C (3) have been isolated from the roots of Otostegia limbata along with two known compounds; oleanic acid and beta-sitosterol. The structure elucidation of the new compounds was based primarily on two-dimensional (2D) NMR techniques. Compounds 1-3 displayed inhibitory potential in a concentration-dependent manner against acetylcholinesterase (AChE; EC 3.1.1.7) and butyrylcholinesterase (BChE; EC 3.1.1.8) enzymes, respectively.