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Iridium (IV) Oxide (IrO2) Nanoparticles and Cancers
Alireza Heidari,
Margaret Hotz,
Nancy MacDonald,
Victoria Peterson,
Angela Caissutti,
Elizabeth Besana,
Jennifer Esposito,
Katrina Schmitt,
Ling-Yu Chan,
Francesca Sherwood,
Maria Henderson,
Jimmy Kimmel
Issue:
Volume 10, Issue 4, December 2021
Pages:
54-58
Received:
5 July 2021
Accepted:
9 August 2021
Published:
30 October 2021
Abstract: In the current research, roles and applications of Iridium (IV) Oxide (IrO2) nanoparticles in cancer nanobiotechnology using synchrotron and synchrocyclotron radiations is investigated. The calculation of thickness and optical constants of Iridium (IV) Oxide (IrO2) roles and applications of Iridium (IV) Oxide (IrO2) nanoparticles in cancer nanobiotechnology using synchrotron and synchrocyclotron radiations produced using sol–gel method over glassy medium through a single reflection spectrum is presented. To obtain an appropriate fit for reflection spectrum, the classic Drude–Lorentz model for parametric di–electric function is used. The best fitting parameters are determined to simulate the reflection spectrum using Lovenberg–Marquardt optimization method. The simulated reflectivity from the derived optical constants and thickness are in good agreement with experimental results. The results of optimization algorithm of Lovenberg–Marquardt with physical model of Drude–Lorentz for determining optical constants of Iridium (IV) Oxide (IrO2)–roles and applications of Iridium (IV) Oxide (IrO2) nanoparticles in cancer nanobiotechnology using synchrotron and synchrocyclotron radiations produced using sol–gel method through a single reflection spectrum show that higher doping leads to lower reflectivity and reflection coefficient and also, leads to increase in thickness of thin layer.
Abstract: In the current research, roles and applications of Iridium (IV) Oxide (IrO2) nanoparticles in cancer nanobiotechnology using synchrotron and synchrocyclotron radiations is investigated. The calculation of thickness and optical constants of Iridium (IV) Oxide (IrO2) roles and applications of Iridium (IV) Oxide (IrO2) nanoparticles in cancer nanobiot...
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Reduction of Nitrate Content in Water by the Use of Banana Peels Biochar
Yacouba Zoungranan,
Kouassi Kouadio Dobi-Brice,
Koutouan Djako Oscar Eric,
Sombo Anselme Stanislas,
Ekou Tchirioua,
Ekou Lynda
Issue:
Volume 10, Issue 4, December 2021
Pages:
59-66
Received:
9 October 2021
Accepted:
1 November 2021
Published:
10 November 2021
Abstract: The intensification of agricultural, domestic and industrial activities leads to the increasing contamination of groundwater and surface water by nitrates. Indeed, agricultural runoff, septic tank effluents, landfill leachates or wastewater treatment plant effluents contribute to this nitrification, yet drinking water containing high nitrate content can cause health problems. The study examines the improvement of nitrate removal in synthetic water solution by adsorption on banana peel’s activated carbon (BPAC). Different effects of physicochemical parameters, such as the optimal contact time of BPAC in solution, the pH of the nitrate solution, the initial concentration of nitrate solution, the BPAC mass, and the temperature were evaluated. The study revealed that BPAC has a low nitrate adsorption capacity under normal laboratory conditions. However, this adsorption capacity of BPAC increases with increasing of temperature and initial content of nitrate, while it decreases with increasing BPAC mass. For a content of 100 mg/L nitrate solution, the maximum adsorption capacity was 0, 687 mg/g for an equilibrium time of 180 min. Nitrate adsorption is optimal in acidic media (pH=3). The application of kinetic models to the experimental data showed that the mechanism of nitrate adsorption on BPAC obeys pseudo-first order kinetics. The Freundlich isotherm perfectly describes the mechanism of nitrate adsorption on BPAC.
Abstract: The intensification of agricultural, domestic and industrial activities leads to the increasing contamination of groundwater and surface water by nitrates. Indeed, agricultural runoff, septic tank effluents, landfill leachates or wastewater treatment plant effluents contribute to this nitrification, yet drinking water containing high nitrate conten...
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Thermochemistry and Reaction Kinetics of Secondary Ethyl Radical of Methyl Ethyl Sulfide, CH3SCH•CH3, with 3O2 to CH2SCH(OO•)CH3
Guanghui Song,
Joseph Bozzelli,
Hebah Abdel-Wahab
Issue:
Volume 10, Issue 4, December 2021
Pages:
67-80
Received:
4 October 2021
Accepted:
29 October 2021
Published:
12 November 2021
Abstract: The quantum Rice-Ramsperger-Kassel (QRRK) theory is used to analyze the reaction between the activated CH3S CH•CH3 and molecular oxygen to account for further reaction and collisional and deactivation. hydroxyl radicals initiate the oxidation of Methyl ethyl sulfide (CH3SCH2CH3) and MES (methylthioethane) under combustion conditions. The CBS-QB3 and G3MP2B3 composite and M062X/6-311+G(2d, p) DFT methods was used to study the thermochemical properties of reactants, products and transition states. These thermochemical properties are used for the calculations for kinetic and thermochemical parameters. Under high pressure and low temperature, isomerization and stabilization of the CH3SCH(OO•)CH3 adduct is of importance. Under atmospheric pressure and at temperatures between above 600 ~ 800 K reactions of the chemically activated peroxy adduct become important relative to stabilization. The reaction between CH3SCH•CH3 and O2 forms an energized peroxy adduct CH3SCH(OO•)CH3 with a calculated well depth of 30.2 kcal/mol at the CBS-QB3 level of theory. Kinetic parameters are calculated using the thermochemical properties of products, reactants and transition states obtained using under CBS-QB3 method of calculation. At temperature below 500 K, Stabilization of CH3SCH(OO•)CH3 adduct is of importance. Temperature of 500-900 K, is optimal for intramolecular hydrogen shift and the isomerization of CH3SCH(OO•)CH3 adduct. At temperature above 800 K, all of the subsequent reaction paths are of importance. For a reaction to move forward under pressure 1-4 atm, the recommended optimal temperature is between 600-800 K. A new pathway for the CH3SCH(OO•)CH3 adduct is observed, the attachment of peroxyl oxygen radical to sulfur followed by carbon-sulfur bond dissociation and formation of oxygen-sulfur and oxygen-carbon double bonds.
Abstract: The quantum Rice-Ramsperger-Kassel (QRRK) theory is used to analyze the reaction between the activated CH3S CH•CH3 and molecular oxygen to account for further reaction and collisional and deactivation. hydroxyl radicals initiate the oxidation of Methyl ethyl sulfide (CH3SCH2CH3) and MES (methylthioethane) under combustion conditions. The CBS-QB3 an...
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Extraction of Humic Acid from Agricultural Crop Residues Conditioned with Cow Dung, Compost from Landfill and Human Waste
Antoinette Abijuru,
Theoneste Bisangabagabo,
Jean De Dieu Shema,
Froduard Hitimana,
Nestor Uwitonze
Issue:
Volume 10, Issue 4, December 2021
Pages:
81-87
Received:
27 May 2021
Accepted:
29 June 2021
Published:
17 November 2021
Abstract: Rwanda has various sources for humic substances that may be utilized for the large scale production of humic acid which can be used as soil amendment to enhance the plant growth. Humic substance is a dark colored fully decomposed remains of plant and animal organic matter through the process called humification. This work aims of finding the potential source of extracting humic acid for reducing environment pollution and increasing the yield from agriculture in any weather seasons The potential sources that were investigated in this study include 30:70 coffee husk and cow dung named as A, 70:30 coffee husk and cow dung named as C, 30:70 cow dung and rice husk named as B, compost from landfill named as LC and human waste named as HW. All tested samples were treated with 0.1M sodium hydroxide NaOH for dissolving all humic substances. Humic acid was recovered after all sources were allowed to be precipitated with concentrated hydrochloric acid (38%). Analysis was done with UV-visible spectrometer through determining E4/E6 ratio and concentration. Also masses were measured with electrical balance. The results shows that in all tested sample, landfill compost and 30:70 cow dung and rice husks have low E4/E4 which signify high degree of aromatic condensation, high molecular weight compared to the other sources these values are 4.31 and 4 respectively. The concentration also was found to be 770 ppm for landfill compost and 484.54ppm for 30:70 cow dung and rice husks. Finally, in all tested samples landfill compost (LC) and 30:70 cow dung and rice (B) husks found to be considered as potential source for production of humic acid compared to the tested potential source.
Abstract: Rwanda has various sources for humic substances that may be utilized for the large scale production of humic acid which can be used as soil amendment to enhance the plant growth. Humic substance is a dark colored fully decomposed remains of plant and animal organic matter through the process called humification. This work aims of finding the potent...
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Theoretical Study on Lanthanide Metal Organometallic Compounds
Issue:
Volume 10, Issue 4, December 2021
Pages:
88-92
Received:
17 October 2021
Accepted:
2 November 2021
Published:
17 November 2021
Abstract: Organometallic sandwich complexes exhibit a number of potential structural and electronic properties and attract the attention of many researchers in recent years. In this paper, we systematically studied the structure and stability of Ln(C8H8)‾ and Ln(C8H8)2‾ (Ln = Ce, Eu, Ho, Nd and Yb) complexes using density functional theory calculations. It is found that the Ln (C8H8)‾ (Ln = Ce, Eu, Ho, Nd and Yb) complexes have high C8v point symmetry structure and Ln(C8H8)2‾ are typical "sandwich" structure. The stability of Ln(C8H8)‾ and Ln(C8H8)2‾ is explained by the calculation of binding energy and HOMO-LUMO gap. The study of binding energy shows Eu(C8H8)‾, Eu(C8H8)2‾, Ho(C8H8)‾ and Ho(C8H8)2‾ have significantly high binding energy and exhibit high thermodynamic stability. The HOMO-LUMO gaps of Ho(C8H8)‾, Eu(C8H8)2‾ and Ho(C8H8)2‾ are 2.016, 3.117 and 3.098 eV, respectively, which are obviously higher than other complexes. The result implies that these three complexes are more stable than other complexes. Besides, the comparison of experimental and theoretical vertical electron detachment energy (VDE) of Ln(C8H8)2‾ is presented in this paper. The relative error (between theoretical and experimental) of vertical electron detachment energies of sandwich complexes Ln(C8H8)2‾ is in the range of 3.7-9.3%, indicating that the theoretical and experimental results are in good agreement.
Abstract: Organometallic sandwich complexes exhibit a number of potential structural and electronic properties and attract the attention of many researchers in recent years. In this paper, we systematically studied the structure and stability of Ln(C8H8)‾ and Ln(C8H8)2‾ (Ln = Ce, Eu, Ho, Nd and Yb) complexes using density functional theory calculations. It i...
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Chemical Reaction Rate from a (Semiempirical) Dynamical Point of View
Thanassis Dialynas,
Nikos Lazarides,
Artemis Saitakis
Issue:
Volume 10, Issue 4, December 2021
Pages:
93-103
Received:
8 October 2021
Accepted:
2 November 2021
Published:
17 November 2021
Abstract: The aim of the present paper is to check - or better to confirm - the mathematical validity of chemical reaction rate, faced as a set of differential equations. Firstly one - way elementary reactions are considered, in the most general case. Secondly the same thing is done with two-way (opposing) elementary reactions. At this stage, we show that the two – way reaction, as we mean it, is compatible with the reduction of the total Gibbs energy as expected in every natural process. As an example of a two way elementary reaction of a completely solvable problem we give the hydrolysis of sucrose to glucose and fructose, where the “inversion” of sucrose is examined not only with the initial linear reaction of “Wilhelmy” (1850), but also with the two way nonlinear reaction introduced. Finally the validity of the mathematical model is checked for more complex cases such as the Michaelis-Menten mechanism or reactions in solution, where it is found that the two cases, apparently are four – dimensional while in reality are two – dimensional (after the “subtraction” of the constraints of “motion”) and naturally cannot exhibit chaotic behavior. In all cases the treatment is not one-hundred-percent mathematically austere but it has also arbitrary although reasonable hypotheses.
Abstract: The aim of the present paper is to check - or better to confirm - the mathematical validity of chemical reaction rate, faced as a set of differential equations. Firstly one - way elementary reactions are considered, in the most general case. Secondly the same thing is done with two-way (opposing) elementary reactions. At this stage, we show that th...
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Implementation and Realization of a Kossel Diffraction Pattern Simulation Application
Fannou Jean-Louis Comlan,
Semassou Guy Clarence,
Moussa Djibril Aliou,
Gerbaud Patrice,
Hougan Aristide
Issue:
Volume 10, Issue 4, December 2021
Pages:
104-111
Received:
16 October 2021
Accepted:
8 November 2021
Published:
29 November 2021
Abstract: To better understand some of the local metallurgical mechanisms, it is necessary to have information about the scale of the stress gradient in the vicinity of a grain boundary or around a precipitate. This measurement is accessible by Kossel microdiffraction. Diffraction consists of the emission of Kossel cones, which are then intercepted by a screen. This leads to an image that can be used to trace the deformation field. The simulation technique is best suited to this purpose. The present work falls within this framework and aims on the one hand to geometrically model the phenomenon and on the other hand to develop an application in Java language for digital simulations of the Kossel cliché. The methodology adopted is to take into account all the parameters on which the phenomenon depends to establish the geometric model which has been programmed in the JAVA language with a view to making a simulation application comprising 14 interacting classes. The result obtained after an example of simulation is rather satisfactory and promising. However, a comparison will have to be made for the complete validation of the model. This will be the subject of another publication later.
Abstract: To better understand some of the local metallurgical mechanisms, it is necessary to have information about the scale of the stress gradient in the vicinity of a grain boundary or around a precipitate. This measurement is accessible by Kossel microdiffraction. Diffraction consists of the emission of Kossel cones, which are then intercepted by a scre...
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