New Antibacterial Diterpenes from Pseudopterogorgia elisabethae

From the MeOH extract of Pseudopterogorgia elisabethae, collected from the Bahamas, four new diterpenes, elisabethin E ( 1 ), elisabethin F ( 2 ), pseudopterosin P ( 3 ), and pseudopterosin Q ( 4 ), were isolated and their structures established with the aid of extensive spectroscopic studies. Compounds 3 and 4 showed antibacterial activity selectively against the Gram‐positive bacteria Streptococcus pyogenes, Staphylococcus aureus, and Enterococcus faecalis.     

Glutathione S-transferase inhibiting chemical constituents of Caesalpinia bonduc

Glutathione S-transferase inhibition assay-guided fractionations on the ethanolic extract of the bark of Caesalpinia bonduc resulted in the isolation of a new sterol, 17-hydroxy-campesta-4,6-dien-3-one (1) along with four known compounds, 13,14-seco-stigmasta-5,14-dien-3alpha-ol (2), 13,14-seco-stigmasta-9(11),14-dien-3alpha-ol (3), caesaldekarin J (4) and pipataline (5) as active constituents. Structures of compounds 1-5 were established on the basis of extensive NMR spectroscopic studies. The compounds (1-5) were isolated on the basis of their inhibitory activity against glutathione S-transferase, an enzyme that has been implicated in resistances during treatment of cancer and parasitic infections. Efforts to study structure-activity relationships of compounds 2 and 3 were also made by modifying their structures. The IC50 values of these compounds and their derivatives ranged from 57-380 microM and were compared to the inhibitory effects due to sodium taurocholate, an isoprene-derived GST inhibitor (IC50=398 microM). A plausible biosynthesis of 13,14-seco-steroids has also been proposed.     

Novel microbial transformations of sclareolide

Fungal catalysis of sclareolide (1) using Mucor plumbeus (ATCC 4740), Cunninghamella blakesleeana (ATCC 9245), Cunninghamella echinulata (ATCC 9244), Curvularia lunata (ATCC 12017) and Aspergillus niger (ATCC 1004), was performed. Cunninghamella blakesleeana (ATCC 9245) metabolized compound 1 to afford O(6)-sclareolide (2), 3beta,6alpha-dihydroxysclareolide (3), 9-hydroxysclareolide (4), along with three known metabolites, 1beta,3beta-dihydroxysclareolide (5), 3-oxosclareolide (6) and 3beta-hydroxysclareolide (7). Biotransformation experiments of compound 1 with Cunninghamella echinulata (ATCC 9244) also yielded two new compounds, 5-hydroxysclareolide (8), and 7beta-hydroxysclareolide (9) along with two known compounds 5 and 7. Spectroscopic methods were used to establish the structures of compounds 2-9. Compounds 2-9 exhibited modest acetylcholinesterase inhibitory activity.     

Kinetic study and pyrolysis: GC/MS products analysis of Spirulina platensis cultivated under a different growing medium

Journal of Thermal Analysis and Calorimetry - Microalgae have a great potential to produce biofuels, but the cost is still too high mainly due to the biomass production. Mixotrophic cultivation has...     

Effect of Zn doping on electronic structure and optical properties zincblende GaN(A DFT+U insight)

The development of new materials,having exceptional properties in comparison to existing materials is highly required for bringing advancement in electronic and optoelectronic technologies.Keeping this fact,we investigated structural,electronic,and optical properties of zincblende GaN doped with selected Zn concentrations(6.25%,12.50%,and 18.70%),using the first-principle calculations based on density functional theory with GGA+U.We conducted the entire study using the WIEN2K code.In this study,we calculated various significant parametric quantities such as cohesive energies,formation energies,bulk moduli,and lattice constants along with the study of optical and electronic properties by substituting Ga atoms with Zn atoms in 1×2×2 supercell.The structural stability is confirmed by studying the phonon dispersion curves which suggest that Zn:GaN material is stable against the 6.25%and 18.70%Zn concentrations while for 12.50%,it shows instability.The Hubbard values U=0,2,4,6 eV were added to GGA and the electronic properties were improved with the U=6 eV.Optical absorption was blue shifted while the refractive index and dielectric constant were increased with increasing the Zn concentrations.Electronic properties are enhanced due to the prime contribution of cations(Zn)3ri states.The optical and electronic properties are further discussed in detail in the entire study.     

Retention of regiochemistry of monosubstituted allyl acetates in the ruthenium catalysed allylic alkylation with malonate anion

In the RuCl2(p-cymene)/PPh3 catalysed regioselective allylic alkylation of monosubstituted allyl acetates with malonate anion, the selective substitution at the position originally substituted with acetate was observed.     

A polythiophene derivative bearing TEMPO as a cathode material for rechargeable batteries

A polythiophene derivative bearing TEMPO radical was synthesized by oxidative chemical polymerization of its monomer. The polymer had a high spin density (2.05 × 10²¹ spins/g of polymer). CV studies of the polymer showed that the electrochemical redox reaction of the TEMPO radicals were completely reversible. We demonstrated, for the first time, construction and charge/discharge characteristics of an organic radical battery utilizing a TEMPO bearing polythiophene based cathode material. The battery had an initial specific discharge capacity of 79 A h/kg (87% of the theoretical capacity) and an average output voltage of 3.6 V. The specific energy capacity initially discharged was 268 W h/kg.     

Computer simulations of particle-bubble interactions and particle sliding using Discrete Element Method

Polymer coatings on nano-sized remediation agents and subsurface heterogeneity will affect their transport, likely in a pH-dependent manner. The effect of pH on the aggregation of polymer-coated nanoscale zerovalent iron (nZVI) and its deposition onto sand and clay (kaolinite) surfaces was studied. nZVI coatings included a high molecular weight (90 kg/mol) strong polyanion, poly(methacrylic acid)-b-(methy methacrylate)-b-(styrenesulfonate) (PMAA-PMMA-PSS) and a low molecular weight (2.5 kg/mol) weak polyanion, polyaspartate. Aggregation and deposition increased with decreasing pH for both polyelectrolytes. The extent was greater for the low MW polyaspartate coated nZVI. Enhanced deposition at lower pH was indicated because the elutability of polyaspartate-modified hematite (which did not aggregate) also decreased at lower pH. The greater deposition onto clay minerals compared to similar sized silica fines is attributed to charge heterogeneity on clay mineral surfaces, which is sensitive to pH. Heteroaggregation between kaolinite particles and nZVI over the pH range 6-8 confirmed this assertion. Excess unadsorbed polyelectrolyte in solution (100mg/L) enhanced the transport of modified nZVI by minimizing aggregation and deposition onto sand and clay. These results indicate that site physical and chemical heterogeneity must be considered when designing an nZVI emplacement strategy.     

Electrophoretic deposition of TiO2 nanoparticles using organic dyes

Electrophoretic deposition method has been developed for the deposition of TiO(2) nanoparticles modified with organic dyes. Alizarin red, alizarin yellow and pyrocatechol violet dyes were used for the dispersion and charging of TiO(2) in ethanol and anodic electrophoretic deposition of TiO(2) films. The deposition yield was varied by the variation of dye concentration in suspensions and deposition time. Aurintricarboxylic acid dye was used for the deposition of TiO(2) from aqueous suspensions. It was found that thin films of pure aurintricarboxylic acid and composite aurintricarboxylic acid TiO(2) films can be obtained. The deposition yield was studied by quartz crystal microbalance. Dye film thickness was varied in the range of 0.1-2 μm by variation in the deposition time at a constant voltage. The composition of the films and the amount of the deposited material can be varied by the variation of TiO(2) and dye concentration in suspensions and deposition time. The films were studied by Fourier transform infrared spectroscopy, thermogravimetric analysis, differential thermal analysis and electron microscopy. The deposition mechanisms were discussed. The electrophoretic deposition method offers advantages for the fabrication of dye-sensitized TiO(2) films.     

Simultaneous operation of dibenzothiophene hydrodesulfurization and methanol reforming reactions over Pd promoted alumina based catalysts

In the current study simultaneous reactions of hydrodesulfurization(HDS) of dibenzothiophene(DBT) and reforming of methanol in a micro-autoclave reactor were studied over bi-metallic(Co-Mo/Al2O3 and Ni-Mo/Al2O3) and tri-metallic(Pd-Co-Mo/Al2O3 and Pd-Ni-Mo/Al2O3) catalyst systems which were prepared by incipient impregnation method.In situ hydrogen utilization and low Pd loadings were the major targets of this study.For comparison purpose,catalytic activity was separately determined for both the methanol reforming and HDS of DBT reactions as well.Ni based catalysts were confirmed with better activity than Co ones for both the reactions with Pd promoted ones ranking at the top i.e.Pd-Ni-Mo/Al2O3 > Ni-Mo/Al2O3 > Pd-Co-Mo/Al2O3 > Co-Mo/Al2O3 where Pd-Ni-Mo/Al2O3 showed 91% DBT conversion at 380 ℃ and 12 h reaction time.Some of the selected organic additives on catalytic activity were tested for their effect toward HDS reaction which was unique with close relation to their chemical nature.Reaction products were quantitatively and qualitatively analyzed via HPLC and GC-MS techniques respectively which helped in elucidating reaction mechanism.