The Experts below are selected from a list of 27 Experts worldwide ranked by ideXlab platform
C. Yohannan Panicker - One of the best experts on this subject based on the ideXlab platform.
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Synthesis, characterization and computational studies of Semicarbazide Derivative
Journal of Molecular Liquids, 2018Co-Authors: Manickam Muthukkumar, T. Bhuvaneswari, G. Venkatesh, C. Kamal, P. Vennila, Stevan Armaković, Y. Sheena Mary, C. Yohannan PanickerAbstract:Abstract The (E)‑1‑(3, 5 dibromo benzylidene) Semicarbazide (35DBBS) has been synthesized and characterized using Fourier-transform infrared (FT-IR), Fourier transform Raman (FT-Raman), 1H and 13C Nuclear magnetic resonance (NMR) spectral analyzes. Fukui functions, molecular electrostatic potential (MEP), bond dissociation energies (BDE) and average local ionization energy (ALIE) values have been studied with help of Density Functional Theory (DFT). Further, the stability of 35DBBS in water has been analyzed using molecular dynamics (MD) simulations. The optimized molecular geometrical parameters such as bond length, bond angle and dihedral angle were calculated in different phases viz., gaseous and aqueous and were compared with experimental values. The title compound's binding energy and antifungal ability of the title compound were evaluated using molecular docking studies. Further, Nonlinear Optical Properties (NLO) of 35DBBS have been examined by first order hyperpolarizability studies.
Stevan Armaković - One of the best experts on this subject based on the ideXlab platform.
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Synthesis, characterization and computational studies of Semicarbazide Derivative
Journal of Molecular Liquids, 2018Co-Authors: Manickam Muthukkumar, T. Bhuvaneswari, G. Venkatesh, C. Kamal, P. Vennila, Stevan Armaković, Y. Sheena Mary, C. Yohannan PanickerAbstract:Abstract The (E)‑1‑(3, 5 dibromo benzylidene) Semicarbazide (35DBBS) has been synthesized and characterized using Fourier-transform infrared (FT-IR), Fourier transform Raman (FT-Raman), 1H and 13C Nuclear magnetic resonance (NMR) spectral analyzes. Fukui functions, molecular electrostatic potential (MEP), bond dissociation energies (BDE) and average local ionization energy (ALIE) values have been studied with help of Density Functional Theory (DFT). Further, the stability of 35DBBS in water has been analyzed using molecular dynamics (MD) simulations. The optimized molecular geometrical parameters such as bond length, bond angle and dihedral angle were calculated in different phases viz., gaseous and aqueous and were compared with experimental values. The title compound's binding energy and antifungal ability of the title compound were evaluated using molecular docking studies. Further, Nonlinear Optical Properties (NLO) of 35DBBS have been examined by first order hyperpolarizability studies.
Young-a Son - One of the best experts on this subject based on the ideXlab platform.
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turn on fluorescent and colorimetric determination of cu 2 ions in aqueous media based on a rhodamine n phenyl Semicarbazide Derivative
Fibers and Polymers, 2015Co-Authors: Junemin Park, Boddu Ananda Rao, Young-a SonAbstract:We report the design and synthesis of a novel chemosensor (RGPS) rhodamine-based indicator for selective detection of Cu2+ ion. Sensing behavior toward various metal ions (M=Hg2+, Cu2+, Co2+, K+, Cs+, Ag+, Pb2+, Zn2+, Mg2+, Fe3+, Ni2+, Li+ and Al3+) was investigated by UV-Vis and fluorescence spectroscopy in acetonitrile:water (CH3CN-H2O, v/v, 9:1) solution. The indicator exhibited highly selective and sensitive colorimetric and “turn-on” fluorescent responses toward Cu2+ ions based on the ring-opening mechanism of the rhodamine spirolactam in an CH3CN-H2O (v/v, 9:1) solution. The obvious change from colorless to pale pink upon the addition of Cu2+ could make it a suitable “naked eye” indicator for Cu2+. More significantly, the sensor displayed a remarkable colorless to yellowish green fluorescence switch in the presence of Cu2+ ions. The limit of detection is proved 1.405×10−7 M from titration and 1:1 binding ratio is proved from jobs plot method. Finally, we proposed a reversible ring-opening mechanism (OFF-ON) of the rhodamine spirolactam induced by Cu2+ binding and forming a 1:1 stoichiometric complex of RGPS-Cu2+ which is supported by the material studio theory calculations.
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turn on fluorescent and colorimetric determination of cu2 ions in aqueous media based on a rhodamine n phenyl Semicarbazide Derivative
Fibers and Polymers, 2015Co-Authors: Junemin Park, Boddu Ananda Rao, Young-a SonAbstract:We report the design and synthesis of a novel chemosensor (RGPS) rhodamine-based indicator for selective detection of Cu2+ ion. Sensing behavior toward various metal ions (M=Hg2+, Cu2+, Co2+, K+, Cs+, Ag+, Pb2+, Zn2+, Mg2+, Fe3+, Ni2+, Li+ and Al3+) was investigated by UV-Vis and fluorescence spectroscopy in acetonitrile:water (CH3CN-H2O, v/v, 9:1) solution. The indicator exhibited highly selective and sensitive colorimetric and “turn-on” fluorescent responses toward Cu2+ ions based on the ring-opening mechanism of the rhodamine spirolactam in an CH3CN-H2O (v/v, 9:1) solution. The obvious change from colorless to pale pink upon the addition of Cu2+ could make it a suitable “naked eye” indicator for Cu2+. More significantly, the sensor displayed a remarkable colorless to yellowish green fluorescence switch in the presence of Cu2+ ions. The limit of detection is proved 1.405×10−7 M from titration and 1:1 binding ratio is proved from jobs plot method. Finally, we proposed a reversible ring-opening mechanism (OFF-ON) of the rhodamine spirolactam induced by Cu2+ binding and forming a 1:1 stoichiometric complex of RGPS-Cu2+ which is supported by the material studio theory calculations.
Manickam Muthukkumar - One of the best experts on this subject based on the ideXlab platform.
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Synthesis, characterization and computational studies of Semicarbazide Derivative
Journal of Molecular Liquids, 2018Co-Authors: Manickam Muthukkumar, T. Bhuvaneswari, G. Venkatesh, C. Kamal, P. Vennila, Stevan Armaković, Y. Sheena Mary, C. Yohannan PanickerAbstract:Abstract The (E)‑1‑(3, 5 dibromo benzylidene) Semicarbazide (35DBBS) has been synthesized and characterized using Fourier-transform infrared (FT-IR), Fourier transform Raman (FT-Raman), 1H and 13C Nuclear magnetic resonance (NMR) spectral analyzes. Fukui functions, molecular electrostatic potential (MEP), bond dissociation energies (BDE) and average local ionization energy (ALIE) values have been studied with help of Density Functional Theory (DFT). Further, the stability of 35DBBS in water has been analyzed using molecular dynamics (MD) simulations. The optimized molecular geometrical parameters such as bond length, bond angle and dihedral angle were calculated in different phases viz., gaseous and aqueous and were compared with experimental values. The title compound's binding energy and antifungal ability of the title compound were evaluated using molecular docking studies. Further, Nonlinear Optical Properties (NLO) of 35DBBS have been examined by first order hyperpolarizability studies.
Suk-kyu Chang - One of the best experts on this subject based on the ideXlab platform.
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Cu2+-selective fluorescent probe based on the hydrolysis of Semicarbazide Derivative of 2-(2-aminophenyl)benzothiazole
Dyes and Pigments, 2018Co-Authors: Hyein Ryu, Myung Gil Choi, Eun Jin Cho, Suk-kyu ChangAbstract:Abstract A new Cu2+-selective reaction-based fluorescent probe 1 based on the Semicarbazide-bearing Derivative of 2-(2-aminophenyl)benzothiazole has been developed. Designed probe 1 exhibited turn-on-type fluorescence signaling behavior that was more prominent toward Cu2+ ions than to other environmentally relevant metal ions. The signaling of probe 1 was due to the Cu2+-induced hydrolysis of Semicarbazide moiety to form its strongly fluorescent parent dye. Cu2+ signaling of probe 1 was not influenced by the presence of commonly encountered metal ions, and the detection limit was 1.71 × 10−8 M (1.1 ppb). As a practical application, the determination of Cu2+ in simulated semiconductor wastewater was conducted using a smartphone as a portable signal detection tool. For the color test analysis, enhanced reproducibility of Cu2+-sensing was realized using the grayscale image rather than the red, green, or blue channel image.
