Enhanced nonlinear optical properties (NLO) were observed for an indium phthalocyanine–magnetite nanocomposite at 532 nm compared to the performance of the bare phthalocyanine and its silica nanoparticle dyad.

Magnetite Nanoparticles

10.1039/c4nj01619j

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Citations (30)

CCDC 1559373: Experimental Crystal Structure Determination

The Cambridge Structural Database (2017)

Craig A. Obafemi Olatomide A. Fadare Jerry P. Jasinski Sean P. Millikan Efere M. Obuotor

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

10.5517/ccdc.csd.cc1pbnc1

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An approximate procedure for profiling dye molecules with potentials as sensitizers in solar cell application: A DFT/TD-DFT approach

Chemical Physics Letters (2019)

Kayode Sanusi Nafisat O. Fatomi Adegoke O. Borisade Yusuf Yılmaz Ümit Ceylan

10.1016/j.cplett.2019.03.028

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Citations (14)

Tryptanthrin from microwave-assisted reduction of isatin using solid-state-supported sodium borohydride: DFT calculations, molecular docking and evaluation of its analgesic and anti-inflammatory activity

Heliyon (2020)

Craig A. Obafemi Oluwaseun B. Adegbite Olatomide A. Fadare Ezekiel O. Iwalewa N.O. Omisore

Tryptanthrin is a potent natural alkaloid with good in vitro pharmacological properties. Herein, we report the synthesis of the compound via a new method involving the reduction of isatin with solid-state-supported sodium borohydride under microwave irradiation. The title compound has been tested for its analgesic and anti-inflammatory activity. The results showed that tryptanthrin dose dependently inhibits oedema and pain formation in all the models used. The agent also exhibited significant higher effects in its anti-inflammatory and analgesic activities better than positive drugs (aspirin and indomethacin) being currently used in the treatment and in the management of acute and chronic forms of pain and inflammatory disorders. The inhibitory potential of the compound was investigated by molecular docking using the software AutoDock Vina. The docking results were used to better rationalize the action and prediction of the binding affinity of tryptanthrin. Density Functional Theory (DFT) calculations at the B3LYP/6-311++G (2df, 2pd) level of theory showed that compared to ascorbic acid, tryptanthrin shows higher antioxidant activity which may be improved upon by functionalizing the aromatic core to enhance its solubility in polar solvents. The calculated electronic and thermodynamic properties obtained for tryptanthrin compete well with the standard ascorbic acid.

Isatin

Docking (animal)

Diclofenac Sodium

Sodium borohydride

10.1016/j.heliyon.2020.e05756

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Citations (24)