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1.
Chem Commun (Camb) ; 55(1): 83-86, 2018 Dec 18.
Article in English | MEDLINE | ID: mdl-30511064

ABSTRACT

An iron oxide based-electroactive IoNanofluid with a high dielectric constant, high stability and low viscosity was synthesized from ferrous sulphate heptahydrate via a facile microwave assisted one-step route in 1-butyl-4-methylpyridinium chloride. The IoNanofluid exhibited CE coupled faradaic redox reactions involving reversible chemical reaction and reversible electron transfer steps. A transition from diffusion controlled to surface controlled capacitive processes was observed at varying scan rates. The efficiency of the charge-discharge process was greater than 94% even after 100 cycles.

2.
J Phys Chem A ; 122(1): 328-340, 2018 Jan 11.
Article in English | MEDLINE | ID: mdl-29111741

ABSTRACT

A comprehensive study on the structure, nature of interaction, and properties of six ionic pairs of 1-butylpyridinium and 1-butyl-4-methylpyridinium cations in combination with tetrafluoroborate (BF4-), chloride (Cl-), and bromide (Br-) anions have been carried out using density functional theory (DFT). The anion-cation interaction energy (ΔEint), thermochemistry values, theoretical band gap, molecular orbital energy order, DFT-based chemical activity descriptors [chemical potential (µ), chemical hardness (η), and electrophilicity index (ω)], and distribution of density of states (DOS) of these ion pairs were investigated. The ascendancy of the -CH3 substituent at the fourth position of the 1-butylpyridinium cation ring on the values of ΔEint, theoretical band gap and chemical activity descriptors was evaluated. The ΔEint values were negative for all six ion pairs and were highest for Cl- containing ion pairs. The theoretical band gap value after -CH3 substitution increased from 3.78 to 3.96 eV (for Cl-) and from 2.74 to 2.88 eV (for Br-) and decreased from 4.9 to 4.89 eV (for BF4-). Ion pairs of BF4- were more susceptible to charge transfer processes as inferred from their significantly high η values and comparatively small difference in ω value after -CH3 substitution. The change in η and µ values due to the -CH3 substituent is negligibly small in all cases except for the ion pairs of Cl-. Critical-point (CP) analyses were carried out to investigate the AIM topological parameters at the interionic bond critical points (BCPs). The RDG isosurface analysis indicated that the anion-cation interaction was dominated by strong Hcat···Xani and Ccat···Xani interactions in ion pairs of Cl- and Br- whereas a weak van der Waal's effect dominated in ion pairs of BF4-. The molecular electrostatic potential (MESP)-based parameter ΔΔVmin measuring the anion-cation interaction strength showed a good linear correlation with ΔEint for all 1-butylpyridinium ion pairs (R2 = 0.9918). The ionic crystal density values calculated by using DFT-based MESP showed only slight variations from experimentally reported values.

3.
3 Biotech ; 4(2): 197-204, 2014 Apr.
Article in English | MEDLINE | ID: mdl-28324450

ABSTRACT

Endophytes, by residing within the specific chemical environment of host plants, form unique group of microorganisms. Microbially unexplored medicinal plants can have diverse and potential microbial association. The rhizome of ginger is very remarkable because of its metabolite richness, but the physiological processes in these tissues and the functional role of associated microorganisms remain totally unexplored. Through the current study, the presence of four different endophytic bacterial strains were identified from ginger rhizome. Among the various isolates, ZoB2 which is identified as Pseudomonas sp. was found to have the ability to produce IAA, ACC deaminase and siderophore. By considering these plant growth promoting properties, ZoB5 can expect to have considerable effect on the growth of ginger.

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