A study on piperine, active compound of black pepper

Gökalp, Faik

doi:10.21541/apjes.66230

Cited by 2 publications

(1 citation statement)

References 17 publications

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“…The theoretical calculations were performed by means of the lanl2dz functional. The theoretical values were obtained by using the result of HF method [39,40]. The structure activity of the compounds using this method were indicated and appraised.…”

Section: 1materials and Methodsmentioning

confidence: 99%

A theoretical overview of heavy metal treatment with agricultural wastes

Gökalp

2020

Sakarya University Journal of Science

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Tomato plant between Pb 2+ , Cd 2+ with tomato waste having amino and the other functional groups waste contain cellulose materials(lignin), polysaccharides having functional groups having the ability of binding heavy metals as sorbents is commonly cultivated plant for its fruits. Aim of this study to determine the best alternative way to search the binding capacity of agricultural waste as theoretical to remove heavy metals with tomato plant from waste waters as economically by comparing experimental results respectively. The capacities of adsorption for heavy metals (Pb(II), Cu(II) and Cd(II)) of the tomato plant residue were 0.092, 0.533 and 0.238 mmol/g sorbent. As theoretical, HF (Hartree-fock), lanl2dz methods were used for molecular calculation. The theoretical calculations were carried out by means of the lanl2dz functional base. The chemical activities were calculated by using this method. The removal of Pb 2+ and Cd 2+ found lower than Cu 2+ because of the strong complex formation as experimental and theoretical calculations supported this issue. Theoretical calculations are important to prevent loss of time and cost.

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Section: 1materials and Methodsmentioning

confidence: 99%

A theoretical overview of heavy metal treatment with agricultural wastes

Gökalp

2020

Sakarya University Journal of Science

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The Role of the Various Solvent Polarities on Piperine Reactivity and Stability

Ahmed

Omer

2021

Journal of Physical Chemistry and Functional Materials

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ARTICLE INFOPiperine is a natural cytotoxic agent aware of various therapeutic acts. The aim of this study is to look into the effects of solvent polarity on solvent-free energy, dipole moment, polarizability, and hyper-polarizability of the first order, as well as various molecular properties including chemical hardness and softness, chemical potential, electronegativity, and electrophilicity index, in order to gain a better understanding of its reactivity and stability. The Becke, 3-parameter, Lee-Yang-Parr (B3LYP) level of theory with the cc-pVDZ basis set was used to perform all forms of calculations in both the gas phase and in solution. The Solvation Model on Density (SMD) was used to measure the solvation-free energy, dipole moment, and molecular properties of five solvent systems: water, DMSO, ethanol, cyclohexane, and heptane. when the dielectric constant reduced, the solving energies gradually will have decreased, i.e. free energy decreased with declining solvent polarity. Piperine's dipole moment has been found to increase when transitioning from non-polar to polar solvents. The dipole moment of piperine was greater than that of the gas phase in various solvents. PPN's dipole moment and first order hyper-polarizability gradually increased as the solvent polarity increased, while its polarizability decreased. In addition, the hardness, chemical potential and electrophilicity index were decreased from non-polar to polar solvent, but with the rise in solvent polarity for the PPN molecule, softness and electronegativity were increased. The determined free energy solvation, dipole moment, polarizability, hyper-polarizability of the first order, and molecular properties identified in this research may contribute to an understanding of the stability and reactivity of piperine in specific solvent systems.

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A study on piperine, active compound of black pepper

Cited by 2 publications

References 17 publications

A theoretical overview of heavy metal treatment with agricultural wastes

A theoretical overview of heavy metal treatment with agricultural wastes

The Role of the Various Solvent Polarities on Piperine Reactivity and Stability

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