Kinetics of reduction of ruthenium(III) by sodium tetrahydroborate

Summary The kinetics of reduction of ruthenium(III) by sodium tetrahydroborate in aqueous acidic medium have been studied. The effect of variation in the concentration of substrate (RuCl₃·3H₂O), pH, and reductant (BH₄ ^–1) has been studied. The activation parameters were evaluated. Based on a one-electron transfer, the mechanism involves the reduction of ruthenium(III) by hydrogen.     

Molecules relevant for organic photovoltaics: a range-separated density functional study

Accurate determination of both fundamental and optical gap is necessary for designing molecules relevant for organic photovoltaics. Here, we study how range-separated density functionals reproduce frontier orbital energies, HOMO (highest occupied molecular orbital)–LUMO (lowest unoccupied molecular orbital) gaps, and optical gaps for molecules relevant for organic photovoltaics. In this study, we consider 12 different range-separated density functional for computing HOMO energy, HOMO–LUMO gap, and optical gap which are compared with available experimental and reported GW values. We found that the reproduction of desired photovoltaic properties primarily depend on range separation parameter. Moreover, the tested functionals are comparable with OT-BNL functional.     

Effect of surface roughness and chemical composition on the wetting properties of silicon-based substrates

The article reports on the wetting properties of silicon-based materials as a function of their roughness and chemical composition. The investigated surfaces consist of hydrogen-terminated and chemically modified atomically flat crystalline silicon, porous silicon and silicon nanowires. The hydrogenated surfaces are functionalized with 1-octadecene or undecylenic acid under thermal conditions. The changes occurring upon surface functionalization are characterized using Fourier transform infrared (FTIR) spectroscopy, X-ray photoelectron spectroscopy (XPS) spectroscopy and water contact angle measurements. By increasing the surface roughness, the static water contact angle increases. The combination of high surface roughness with chemical functionalization with water repellent coating (1-octadecene) enables reaching superhydrophobicity (water contact angle greater than 150°) for silicon nanowires.     

A facile microwave assisted synthesis of spiro-1,3-oxazines from N-(2-(cyclohex-1-en-1-yl)ethyl)amides

A mild and efficient methodology has been developed for the synthesis of spiro-1,3-oxazine derivatives by the microwave assisted cyclization of N-2-(1′-cyclohexenyl)ethyl-acetamides/benzamides. The reaction was catalyzed by in situ generated trimethylsilyl iodide and featured by its very short reaction time. The starting materials were easily obtained by the condensation of substituted acetic/benzoic acids with 2-(1′-cyclohexenyl)ethyl amine.     

Kinetics of reduction of vanadium(V) by sodium tetrahydroborate

Summary The kinetics of reduction of vanadium(V) ions by NaBH₄ in aqueous acidic medium have been studied. The rate of the reaction depends upon the first powers of the concentrations of the reactants. The activation parameters were evaluated. Evidence is presented for the formation of vanadium(IV) as the reduction product. A plausible mechanism for the reduction reaction is suggested.     

Synthesis of silver nanoparticles in an aqueous suspension of graphene oxide sheets and its antimicrobial activity

A solution-based approach to the synthesis of silver (Ag) nanoparticles by chemical reduction of AgNO(3) in a graphene oxide (GrO) suspension is demonstrated. X-ray diffraction and transmission electron microscopy indicate that the Ag nanoparticles, of size range 5-25nm, were decorated on the GrO sheets. The size and shape of the Ag nanoparticles are dependent on the concentration of the AgNO(3) solution. Antimicrobial activity of such hybrids materials is investigated against the Gram negative bacteria Escherichia coli and Pseudomonous aeruginosa. The bacterial growth kinetics was monitored in nutrient broth supplemented with the Ag nanoparticle-GrO suspension at different conditions. It was observed that P. aeruginosa is comparatively more sensitive to the Ag nanoparticle-GrO suspension.     

Benzoyl transfer reactivities of racemic 2,4-di-O-acyl-myo-inosityl 1,3,5-orthoesters in the solid state: molecular packing and intermolecular interactions correlate with the ease of the reaction

Racemic 2,4-di-O-acyl-myo-inosityl 1,3,5-orthoesters undergo transesterification catalyzed by sodium carbonate with varying ease of reaction in the solid state; reactions in solution and melt do not show such varied differences. An interesting crystal of a 1:1 molecular complex of highly reactive racemic 2,4-di-O-benzoyl-myo-inosityl 1,3,5-orthoformate and its orthoacetate analogue exhibited better reactivity than the latter component alone. Single-crystal X-ray structures of the reactants have been correlated with the observed differences in the acyl-transfer efficiencies in the solid state. Although each of the derivatives helically self-assembles around the crystallographic 2(1) axis linked through O-H...O hydrogen bonding, the pre-organization of the reactive groups (C=O [El] and OH [Nu]), C-H...O and the C-H...pi interactions are significantly more favourable for the reactive derivatives than the less reactive ones. Bond-length distributions also showed differences; the O-C bond of the axial benzoyl group, which gets cleaved during the reaction, is longer (1.345-1.361 A) relative to the chemically equivalent O-C bond of the equatorial benzoyl group (1.316-1.344 A) in the reactive derivatives. These bond-length differences are not significant in the less reactive derivatives. The overall molecular organization is different too; the strikingly discrete helices, which may be viewed as "reaction tunnels" and are held by interhelical interactions, are clearly evident in the reactive derivatives in comparison with the less reactive ones.     

Langmuir probe study in the nonresonant current drive regime of helicon discharge

Characterization of the current drive regime is done for helicon wave-generated plasma in a torus, at a very high operating frequency. A radiofrequency-compensated Langmuir probe is designed and used for the measurement of plasma parameters along with the electron energy distributions in radial scans of the plasma. The electron energy distribution patterns obtained in the operational regime suggest that Landau damping cannot be responsible for the efficient helicon discharge in the present study. A typical peaked radial density profile, high plasma temperature and absence of an appreciable amount of energetic electrons for resonant wave-particle interactions, suggest that the chosen operational regime is suitable for the study of nonresonant current drive by helicon wave. Successful and significant current drive achieved in our device clearly demonstrates the capability of nonresonant current drive by helicon waves in the present operational regime.      

Stand-off Raman spectroscopic detection of minerals on planetary surfaces

We have designed and developed two breadboard versions of stand-off Raman spectroscopic systems for landers based on a 5-in. Maksutov-Cassegrain telescope and a small (4-in. diameter) Newtonian telescope receiver. These systems are capable of measuring the Raman spectra of minerals located at a distance of 4.5-66 m from the telescope. Both continuous wave (CW) Ar-ion and frequency doubled Nd:YAG (532 nm) pulsed (20 Hz) lasers are used as excitation sources for measuring remote Raman spectra of rocks and minerals. We have also made complementary measurements on the same rock samples with a micro-Raman system in 180 and 135 degrees geometry for evaluating the system performance and for estimating effect of grain size and laser-induced heating on the spectra of minerals using alpha-quartz as a model mineral. A field portable remote pulsed Raman spectroscopic system based on the 5-in. telescope and an f/2.2 spectrograph has been developed and tested. We have also demonstrated a prototype of a combined Raman and laser-induced breakdown spectroscopy (LIBS) system, capable of providing major element composition and mineralogical information on both biogenic and inorganic minerals at a distance of 10 m from the receiver.     

Inhibiting protein biofouling using graphene oxide in droplet-based microfluidic microsystems

Biofouling or adsorption of biomolecules onto surfaces in microfluidic devices limits the type of samples which can be handled. In this paper, we take advantage of the high adsorption capacity of graphene oxide (GO) for proteins as a strategy to limit biofouling, while preserving their activity for droplet-based lab-on-chip applications.