The Effectiveness of Charge Limiting and Partial Charge Limiting

2021 ◽  
Author(s):  
Evan Chen
Keyword(s):  
Partial Charge

Utilization of electrical charges in the pores of tofu waste for hydrogen production in water

2020 ◽  
pp. 124-135
Author(s):  
I. N. G. Wardana ◽  
N. Willy Satrio
Keyword(s):  
Magnetic Field ◽  
Hydrogen Production ◽  
Sodium Bicarbonate ◽  
Positive Charge ◽  
Electrical Energy ◽  
Hydrogen Sensor ◽  
Water Molecules ◽  
Partial Charge ◽  
Delocalized Electron ◽  
Water Hydrogen

Tofu is main food in Indonesia and its waste generally pollutes the waters. This study aims to change the waste into energy by utilizing the electric charge in the pores of tofu waste to produce hydrogen in water. The tofu pore is negatively charged and the surface surrounding the pore has a positive charge. The positive and negative electric charges stretch water molecules that have a partial charge. With the addition of a 12V electrical energy during electrolysis, water breaks down into hydrogen. The test was conducted on pre-treated tofu waste suspension using oxalic acid. The hydrogen concentration was measured by a MQ-8 hydrogen sensor. The result shows that the addition of turmeric together with sodium bicarbonate to tofu waste in water, hydrogen production increased more than four times. This is due to the fact that magnetic field generated by delocalized electron in aromatic ring in turmeric energizes all electrons in the pores of tofu waste, in the sodium bicarbonate, and in water that boosts hydrogen production. At the same time the stronger partial charge in natrium bicarbonate shields the hydrogen proton from strong attraction of tofu pores. These two combined effect are very powerful for larger hydrogen production in water by tofu waste.

Structurally Related Edaravone Analogues: Synthesis, Antiradical, Antioxidant, and Copper-Chelating Properties

2020 ◽  
Vol 18 (10) ◽  
pp. 779-790 ◽  
Author(s):  
Alexandre LeBlanc ◽  
Miroslava Cuperlovic-Culf ◽  
Pier Jr. Morin ◽  
Mohamed Touaibia
Keyword(s):  
Oxidative Stress ◽  
Amyotrophic Lateral Sclerosis ◽  
Therapeutic Potential ◽  
Antioxidant Properties ◽  
Radical Scavenging ◽  
Therapeutic Options ◽  
Partial Charge ◽  
Associated Diseases ◽  
Significant Interest ◽  
Lateral Sclerosis

Background:: The current therapeutic options available to patients diagnosed with Amyotrophic Lateral Sclerosis (ALS) are limited and edaravone is a compound that has gained significant interest for its therapeutic potential in this condition. Objectives: : The current work was thus undertaken to synthesize and characterize a series of edaravone analogues. Methods: A total of 17 analogues were synthesized and characterized for their antioxidant properties, radical scavenging potential and copper-chelating capabilities. Results: Radical scavenging and copper-chelating properties were notably observed for edaravone. Analogues bearing hydrogen in position 1 and a phenyl at position 3 and a phenyl in both positions of pyrazol-5 (4H)-one displayed substantial radical scavenging, antioxidants and copper-chelating properties. High accessibility of electronegative groups combined with higher electronegativity and partial charge of the carbonyl moiety in edaravone might explain the observed difference in the activity of edaravone relative to the closely related analogues 6 and 7 bearing hydrogen at position 1 and a phenyl at position 3 (6) and a phenyl in both positions (7). Conclusion: Overall, this study reveals a subset of edaravone analogues with interesting properties. Further investigation of these compounds is foreseen in relevant models of oxidative stress-associated diseases in order to assess their therapeutic potential in such conditions.

scholarly journals Catalytic Antioxidant Activity of Bis-Aniline-Derived Diselenides as GPx Mimics

Molecules ◽  
2021 ◽  
Vol 26 (15) ◽  
pp. 4446
Author(s):  
Giancarlo V. Botteselle ◽  
Welman C. Elias ◽  
Luana Bettanin ◽  
Rômulo F. S. Canto ◽  
Drielly N. O. Salin ◽  
...  
Keyword(s):  
Antioxidant Activity ◽  
Hydrogen Bond ◽  
Electronic Properties ◽  
Partial Charge ◽  
Amino Group ◽  
Diphenyl Diselenide ◽  
Charge Delocalization ◽  
Ipso Substitution ◽  
Efficient Route ◽  
Catalytic Performances

Herein, we describe a simple and efficient route to access aniline-derived diselenides and evaluate their antioxidant/GPx-mimetic properties. The diselenides were obtained in good yields via ipso-substitution/reduction from the readily available 2-nitroaromatic halides (Cl, Br, I). These diselenides present GPx-mimetic properties, showing better antioxidant activity than the standard GPx-mimetic compounds, ebselen and diphenyl diselenide. DFT analysis demonstrated that the electronic properties of the substituents determine the charge delocalization and the partial charge on selenium, which correlate with the catalytic performances. The amino group concurs in the stabilization of the selenolate intermediate through a hydrogen bond with the selenium.

Partial charge exchange and excitation cross sections for C3+ + H collisions

1991 ◽  
Vol 21 (S1) ◽  
pp. S245-S246
Author(s):  
L. F. Errea ◽  
B. Herrero ◽  
L. M�ndez ◽  
O. M� ◽  
A. Riera
Keyword(s):  
Charge Exchange ◽  
Cross Sections ◽  
Partial Charge ◽  
Excitation Cross Sections

Lifetime of Singlet Oxygen and Quenching by NaN3 in Mixed Solvents

1982 ◽  
Vol 37 (5) ◽  
pp. 649-652 ◽  
Author(s):  
N. Miyoshi ◽  
M. Ueda ◽  
K. Fuke ◽  
Y. Tanimoto ◽  
M. Itoh ◽  
...  
Keyword(s):  
Activation Energy ◽  
Charge Transfer ◽  
Singlet Oxygen ◽  
Mixed Solvents ◽  
Solvent Polarity ◽  
Thermal Lensing ◽  
Partial Charge ◽  
Partial Charge Transfer ◽  
Quenching Rate ◽  
Quenching Rate Constant

Singlet oxygen was generated by the photosensitization of erythrosine. The lifetime of singlet oxygen and the quenching rate constant for singlet oxygen by NaN3 were measured by a thermal lensing method in MeOH-H2O mixed solvents. The reciprocal of the lifetime increased linearly with the increase of the H2O mole fraction. Semi-log plot of the quenching constant against the reciprocal of the solvent polarity exhibited a linear relation. The quenching of the singlet oxygen by NaN3 may proceed through a partial charge-transfer intermediate. The activation energy for the quenching reaction of N3- + 1O2 →[N3·1O2-] increased with the increase of the solvent polarity. The lifetime was also measured in MeOH-ethyleneglycol mixed solvents, and its relation with viscosity was obtained

scholarly journals STUDY OF PARAMETERS OF REACTIVITY MOLECULAR IN ADDITION REACTIONS OF HYDROHALIC ACIDS WITH ETHYLENE

2011 ◽  
Vol 08 (15) ◽  
pp. 54-64
Author(s):  
Francisco José Santos LIMA ◽  
Ademir Oliveira da SILVA ◽  
Yuri Lima de BRITO ◽  
Fernanda Louise Cardoso de SOUSA
Keyword(s):  
Free Energy ◽  
Thermodynamic Parameters ◽  
Electrostatic Potential ◽  
Molecular Modelling ◽  
Quantitative Data ◽  
Addition Reactions ◽  
Partial Charge ◽  
Kinetic Behavior ◽  
Atomic Properties ◽  
Molecular Reactivity

The molecular reactivity parameters (PRM´s) have been used to quantify atomic properties that influence in the interactions among the molecules. It is possible throughout the analysis of its magnitudes and stereochemistry arrangement of the system, to foresee and/or to explain certain experimental events. The aim of this work was to establish parallel among the thermodynamic parameters (enthalpy, entropy and free energy), and the results of the simulations of theoretical molecular modelling through the geometric qualitative and semi-quantitative data (densities of coulomb of electrostatic potential and partial charge), generated by a commercial software (WebLab ViewerPro) for the obtaining of PRM´s, in the hydrohalic acids reactions with the ethylene. It can be notice that there is clearly dependence of the reactivity parameters with the thermodynamic and kinetic behavior of these reactions.

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