• SANDEEP KUMAR

      Articles written in Journal of Chemical Sciences

    • Radical Scavenging Efficacy of Thiol Capped Silver Nanoparticles

      Kumudini Chandraker Sandeep Kumar Vaishanav Rekha Nagwanshi Manmohan L Satnami

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      Radical scavenging efficacy of L-cysteine (L-Cys), glutathione (GSH) and thioctic acid (TA) in the presence of silver nanoparticles (AgNPs) were determined by 1,1-diphenyl 2-picryl hydrazil (DPPH), nitric oxide (NO) and hydroxyl (OH) radicals as spectrophotometric assay. The hydrogen peroxide (H2O2) scavenging efficacy has been determined by titration method. Ascorbic acid has been used as standard for all radical scavenging efficacies. In general, antioxidant activity decreases in the presence of AgNPs. The covalent interactions of thiols (-SH) were found to be a key factor for the decreases in scavenging activity. The effect of thiol concentrations has been discussed. The size and shape of the nanoparticles and AgNP-SR interactions have been characterized through Transmission Electron Microscopy (TEM) and Fourier Transform Infrared (FTIR) spectroscopy, respectively.

    • Triethylammonium salt of dimethyl diphenyldithiophosphates: Single crystal X-ray and DFT analysis

      SANDEEP KUMAR RUCHI KHAJURIA MANDEEP KOUR RAKESH KUMAR LOVE KARAN RANA GEETA HUNDAL VIVEK K GUPTA RAJNI KANT SUSHIL K PANDEY

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      The present work demonstrates the single crystal X-ray and DFT analysis of $ [{(2,4-CH_{3})_{2}C_{6}H_{3}O}_{2}$PS_{2}HNEt_{3}]$ (1) and $ [{(3,4-CH_{3})_{2}$ $C_{6}H_{3}O}_{2}$ $PS_{2}HNEt_{3}]$ (2) along with computational analysis of $ [{(3,5-CH_{3})_{2}C_{6}H_{3}O}_{2} $PS_{2}HNEt_{3}]$ (3) by using density functional theory (DFT) in its hybrid form B3LYP method. Compounds1 and 2 crystallize in the orthorhombic space group Pbca and triclinic space groupP1,respectively andtheir X-ray analysis reveals that phosphorus atom is coordinated to the two S and two O atoms to form tetrahedralgeometry. The structure is stabilized by cation–anion N–H.... S hydrogen bonded interactions. The structuralparameters, vibrational bands and energy gaps of frontier orbitals (HOMO–LUMO) have been calculated.The calculated geometric and spectral results matched the experimental data with good agreement. Theoreticallycalculated frontier molecular orbitals (HOMO–LUMO) and their energies suggest that charge transferoccurs within the compounds.

    • Experimental and theoretical investigation on the anti-corrosive potential of potassium ethyl xanthogenate for corrosion of mild steel in acidic media

      SANIYA FATIMA S KSHAMA SHETTY JYOTI ROY CHOUDHURI SWAMYNATHAN K SHWETHA K SANDEEP KUMAR

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      Despite extensive research over the past several decades, effective inhibition of mild steel (MS)corrosion is still a challenging problem. Potassium ethyl xanthogenate (KEX) is well known in the mining industry for extracting various ores. Its applications in other fields, such as in the synthesis of unsymmetrical compounds, as surfactants, and in microbiology, have also been documented. However, surprisingly, its use in the prevention of corrosion of MS in acidic media has so far not been explored. We discovered that KEX ishighly effective in preventing MS corrosion in acidic media. The interaction of KEX with MS was investigated using conventional electrochemical techniques, SEM, and EDX spectroscopy. Corrosion inhibition efficiency was 92.4% in 1M HCl and 98.1% in 1M H2SO4. Experimental results were validated with theoretical and computational studies.

      Potassium ethyl xanthate (KEX) was successfully used as a corrosion inhibitor for mild steel dissolution in 1 M HCl and 1 M H2SO4 media. KEX showed excellent inhibition efficiency between 92% to 98% in acidic media. The mode of adsorption on mild steel surfaces was mainly physisorption.

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