Synthetic approaches toward stilbenes and their related structures

Compounds belonging to the stilbene family have gained remarkable significance in pharmaceutical as well as material chemistry. The current review covers the various synthetic approaches for the syntheses of stilbene scaffold and related structures over last 30 years. In addition, this review also highlights the role of stilbene intermediates used in the synthesis of important molecules with diverse applications in the field of pharmaceutics and material science.     

Biomedical Applications of Scutellaria edelbergii Rech. f.: In Vitro and In Vivo Approach

In the current study, in vitro antimicrobial and antioxidant activities and in vivo anti-inflammatory and analgesic activities of Scutellaria edelbergii Rech. f. (crude extract and subfractions, i.e., n-hexane, ethyl acetate (EtOAc), chloroform, n-butanol (n-BuOH) and aqueous) were explored. Initially, extraction and fractionation of the selected medicinal plant were carried out, followed by phytochemical qualitative tests, which were mostly positive for all the extracts. EtOAc fraction possessed a significant amount of phenolic (79.2 ± 0.30 mg GAE/g) and flavonoid (84.0 ± 0.39 mg QE/g) content. The EtOAc fraction of S. edelbergii exhibited appreciable antibacterial activity against Gram-negative (Escherichia coli and Klebsiella pneumoniae) strains and significant zones of inhibition were observed against Gram-positive bacterial strains (Bacillus subtilis and Staphylococcus aureus). However, it was found inactive against Candida Albicans and Fusarium oxysporum fungal strains. The chloroform fraction was the most effective with an IC₅₀ value of 172 and 74 µg/mL against DPPH (1,1-Diphenyl-2-picryl-hydrazyl) and ABTS assays, in comparison with standard ascorbic acid 59 and 63 µg/mL, respectively. Moreover, the EtOAc fraction displayed significant in vivo anti-inflammatory activity (54%) using carrageenan-induced assay and significant (55%) in vivo analgesic activity using acetic acid-induced writing assay. In addition, nine known compounds, ursolic acid (UA), ovaul (OV), oleanolic acid (OA), β-sitosterol (BS), micromeric acid (MA), taraxasterol acetate (TA), 5,3′,4′-trihydroxy-7-methoxy flavone (FL-1), 5,7,4′-trihydroxy-6,3′-dimiethoxyflavone (FL-2) and 7-methoxy catechin (FL-3), were isolated from methanolic extract of S. edelbergii. These constituents have never been obtained from this source. The structures of all the isolated constituents were elucidated by spectroscopic means. In conclusion, the EtOAc fraction and all other fractions of S. edelbergii, in general, displayed a significant role as antibacterial, free radical scavenger, anti-inflammatory and analgesic agents which may be due to the presence of these constituents and other flavonoids.     

Rating players in test match cricket

In general, the evaluation of player performance in test cricket is based on measures such as batting and bowling averages. These measures have a number of limitations, among which is that they fail to take into account the context in which runs are made or conceded and wickets are taken or given away. Furthermore, batting and bowling averages do not allow the comparison of performances in these two disciplines; this is because batting and bowling performances are measured using different metrics. With these issues in mind, we develop a new player rating system for test cricket. We use multinomial logistic regression to model match outcome probabilities session by session. We then use these probabilities to measure the overall contribution of players to the match outcome based on their individual batting, bowling and fielding contributions during each session. Our measure of contribution has the potential for rating players over time and for determining the ‘best’ player in a match, a series or a calendar year. We use results from 104 matches (2010–2012) to illustrate the method.     

Anomalous flow behavior in closed and open thin walled nanochannels

Molecular dynamics simulations have been carried out to examine water flow in symmetric and asymmetric open and closed ends nanochannels with hydrophilic surfaces. The results are counterintuitive and the opposite of what is observed in macro-systems-closed channels fill faster with fluid than do their open counterparts. In addition, hybrid closed-open asymmetric channels fill up even faster. These results can be explained on the basis of the fluid-structure interaction that arises through the different vibrational behaviors of the surface molecules that are part of the wall forming these channels. Such effects are not expected to be of significance in macro-channels, and point to an important case where macro and nanochannels exhibit contrary behavior. Since these effects results from strong interactions between the fluid molecules and solid surface, one would not expect them with hydrophobic walls, and our simulations confirm such behavior.     

Rate Optimality of Wavelet Series Approximations of Fractional Brownian Motion

Consider the fractional Brownian motion process $B_H(t), t\in [0,T]$, with parameter $H\in (0,1)$. Meyer, Sellan and Taqqu have developed several random wavelet representations for $B_H(t)$, of the form $\sum_{k=0}^\infty U_k(t)\epsilon_k$ where $\epsilon_k$ are Gaussian random variables and where the functions $U_k$ are not random. Based on the results of Kühn and Linde, we say that the approximation $\sum_{k=0}^n U_k(t)\epsilon_k$ of $B_H(t)$ is optimal if $$ \displaystyle \left( E \sup_{t\in [0,T]} \left| \sum_{k=n}^\infty U_k(t) \epsilon_k\right|^2 \right)^{1/2} =O \left( n^{-H} (1+\log n)^{1/2} \right), $$ as $n\rightarrow\infty$. We show that the random wavelet representations given in Meyer, Sellan and Taqqu are optimal.     

Sulfur-mediated C(sp2)–H imidation and 1,2-imidofluorination of vinyl sulfides

A new strategy for the C(sp²)–H imidation and 1,2-imidofluorination of vinylsulfides has been established through simple treatment with N-fluorobis(benzenesulfonyl)imide, which acts as both oxidant and nitrogen source. For alkyl and electron-rich aryl vinylsulfides, alkyl/arylthioenamines are produced in up to 92% total yields. However, for steric and electron-deficient aryl vinylsulfides, 1,2-imidofluorination products are prepared in up to 73% yields. The chemoselectivity is controlled by the steric and electronic effects of aryl substituents. Thionium ions are proposed as key intermediates in the two reactions.     

Prediction of hydrogen solubility in heavy hydrocarbons over a range of temperatures and pressures using molecular dynamics simulations

Using the method of molecular dynamics (MD), we have estimated the solubility of hydrogen in heavy hydrocarbons for a range of temperatures and pressures. Heavy hydrocarbon systems are known to be challenging not only for experimental measurements but also for reliable estimations using traditional equations of state (EOS). The simulation system used was designed with semi-permeable membranes to mimic actual experimental studies of gas solubility. Binary interaction parameters between the solute gas and the solvent (heavy hydrocarbons) components were adjusted when necessary to improve agreement with experimental results and then used in subsequent multi-component studies. Temperature and pressure ranges studied included higher temperatures and pressures which are especially difficult to investigate experimentally. Simulation results were finally used to adjust the binary interaction parameters (BIP) in simulation packages (e.g. Aspen) to enable quick and reliable predictions.     

The characterization of soils, clays, and clay firing products

Mössbauer spectroscopic studies of soils are generally centered around the characterization of Fe³⁺ oxides, making use of distinctive magnetic properties of the different oxides and the high sensitivity of the technique for magnetically ordered phases. Most work on clays and clay minerals, in contrast, focuses on the determination of the oxidation state of iron, iron structural site occupancies and distortions, and the transformations that take place during clay firing.