scholarly journals Polychromatic-Light Irradiation Kinetics of Dacarbazine and Nifedipine. Application as New Reliable UVA-drug-actinometers.

Author(s):  
Mounir Maafi ◽  
Mohammed Ahmed Al-Qarni

Abstract The photokinetic behaviour of materials driven by polychromatic light is an area that has not received a lot of attention in the literature. Most often, such photokinetic data is treated by thermal kinetic models (i.e., the classical 0th -, 1st - or 2nd -order equations). Such models were not analytically derived from the rate-laws of the photodegradation reactions. Polychromatic light kinetic modelling is hence of importance, as a means to providing adequate toolkits and metrics. This paper aims at proposing two reliable drug-actinometers useful for polychromatic UVA range. The general actinometric methodology offered here is also useful for any drugs/materials obeying a primary photoprocess where both reactant and photoproduct absorb the incident light, of the \(AB{\left(1{\Phi }\right)}_{{\epsilon }_{B}\ne 0}\) type. The present method has been consolidated by the η-order kinetics, a mathematical model analytically derived from the photosystem’s rate-law. This represents the first ever equation in the literature, to model polychromatic light of this reactive system. This framework further demonstrated the lamp-specificity of actinometers. Overall, Dacarbazine and Nifedipine photodegradations obeyed η-order kinetics, and stand as effective actinometers that can be recommended for the ICH Q1b photostability testing.

Molecules ◽  
2020 ◽  
Vol 25 (4) ◽  
pp. 784 ◽  
Author(s):  
Nour Zghaibi ◽  
Rozita Omar ◽  
Siti Mazlina Mustapa Kamal ◽  
Dayang Radiah Awang Biak ◽  
Razif Harun

The kinetics of lipid extraction utilizing microwave-assisted extraction (MAE) from Nannochloropsis sp. microalgae were studied using a low cost and green solvent, namely brine (NaCl) solution. The kinetic modelling of the lipid extraction was performed to evaluate the mechanism of the lipid mass transfer using different extraction models, including Fick’s Law, First and Second-order Rate Law and the Patricelli mathematical model. The Patricelli mathematical model described the kinetics of lipid extraction well, with the highest average values of determination coefficient (R2 ≥ 0.952) and the lowest average values of mean relative percentage deviation (MRPD ≤ 8.666%). The lipid analysis indicated a positive influence of the microwave temperature and time on the quantity and quality of extracted lipids. SEM analysis of spent microalgae clearly shows an increase in the distorted cell with increase microwave temperature and time, which could be directly correlated to the mechanism of the MAE-brine technique.


Author(s):  
Emanuele Moioli ◽  
Leo Schmid ◽  
Peter Wasserscheid ◽  
Hannsjoerg Freund

The kinetics of the acid catalyzed reactions of acetaldehyde ammonia trimer (AAT) and paraldehyde (para) to 2-methyl-5-ethyl pyridine (MEP) in the presence of an acid catalyst were investigated systematically. A...


Catalysts ◽  
2021 ◽  
Vol 11 (6) ◽  
pp. 723
Author(s):  
Mahesh Muraleedharan Nair ◽  
Stéphane Abanades

The CeO2/CeO2−δ redox system occupies a unique position as an oxygen carrier in chemical looping processes for producing solar fuels, using concentrated solar energy. The two-step thermochemical ceria-based cycle for the production of synthesis gas from methane and solar energy, followed by CO2 splitting, was considered in this work. This topic concerns one of the emerging and most promising processes for the recycling and valorization of anthropogenic greenhouse gas emissions. The development of redox-active catalysts with enhanced efficiency for solar thermochemical fuel production and CO2 conversion is a highly demanding and challenging topic. The determination of redox reaction kinetics is crucial for process design and optimization. In this study, the solid-state redox kinetics of CeO2 in the two-step process with CH4 as the reducing agent and CO2 as the oxidizing agent was investigated in an original prototype solar thermogravimetric reactor equipped with a parabolic dish solar concentrator. In particular, the ceria reduction and re-oxidation reactions were carried out under isothermal conditions. Several solid-state kinetic models based on reaction order, nucleation, shrinking core, and diffusion were utilized for deducing the reaction mechanisms. It was observed that both ceria reduction with CH4 and re-oxidation with CO2 were best represented by a 2D nucleation and nuclei growth model under the applied conditions. The kinetic models exhibiting the best agreement with the experimental reaction data were used to estimate the kinetic parameters. The values of apparent activation energies (~80 kJ·mol−1 for reduction and ~10 kJ·mol−1 for re-oxidation) and pre-exponential factors (~2–9 s−1 for reduction and ~123–253 s−1 for re-oxidation) were obtained from the Arrhenius plots.


Nukleonika ◽  
2017 ◽  
Vol 62 (3) ◽  
pp. 235-240 ◽  
Author(s):  
Henrietta Nichipor ◽  
Yongxia Sun ◽  
Andrzej G. Chmielewski

Abstract Theoretical study of NOx removal from humid air by a hybrid system (catalyst combined with electron beam) was carried out. The purpose of this work is to study the possibility to decrease energy consumption for NOx removal. The kinetics of radiation catalytic oxidation of NO on the catalyst TiO2 surface under electron beam irradiation was elaborated. Program Scilab 5.3.0 was used for numerical simulations. Influential parameters such as inlet NO concentration, dose, gas fl ow rate, water concentration and catalyst contents that can affect NOx removal efficiency were studied. The results of calculation show that the removal efficiency of NOx might be increased by 8-16% with the presence of a catalyst in the gas irradiated field.


Author(s):  
Л.Ф. Сафиуллина

В статье рассмотрен вопрос идентифицируемости математической модели кинетики химической реакции. В процессе решения обратной задачи по оценке параметров модели, характеризующих процесс, нередко возникает вопрос неединственности решения. На примере конкретной реакции продемонстрирована необходимость проводить анализ идентифицируемости модели перед проведением численных расчетов по определению параметров модели химической реакции. The identifiability of the mathematical model of the kinetics of a chemical reaction is investigated in the article. In the process of solving the inverse problem of estimating the parameters of the model, the question arises of the non-uniqueness of the solution. On the example of a specific reaction, the need to analyze the identifiability of the model before carrying out numerical calculations to determine the parameters of the reaction model was demonstrated.


2018 ◽  
Vol 78 (9) ◽  
pp. 1916-1924 ◽  
Author(s):  
Lucie Pokorna-Krayzelova ◽  
Dana Vejmelková ◽  
Lara Selan ◽  
Pavel Jenicek ◽  
Eveline I. P. Volcke ◽  
...  

Abstract Hydrogen sulfide is a toxic and usually undesirable by-product of the anaerobic treatment of sulfate-containing wastewater. It can be removed through microaeration, a simple and cost-effective method involving the application of oxygen-limiting conditions (i.e., dissolved oxygen below 0.1 mg L−1). However, the exact transformation pathways of sulfide under microaerobic conditions are still unclear. In this paper, batch experiments were performed to study biochemical and chemical sulfide oxidation under microaerobic conditions. The biochemical experiments were conducted using a strain of Sulfuricurvum kujiense. Under microaerobic conditions, the biochemical sulfide oxidation rate (in mg S L−1 d−1) was approximately 2.5 times faster than the chemical sulfide oxidation rate. Elemental sulfur was the major end-product of both biochemical and chemical sulfide oxidation. During biochemical sulfide oxidation elemental sulfur was in the form of white flakes, while during chemical sulfide oxidation elemental sulfur created a white suspension. Moreover, a mathematical model describing biochemical and chemical sulfide oxidation was developed and calibrated by the experimental results.


2018 ◽  
Vol 14 (1) ◽  
Author(s):  
Bahador Abolpour ◽  
M. Mehdi Afsahi ◽  
Ataallah Soltani Goharrizi

Abstract In this study, reduction of in-flight fine particles of magnetite ore concentrate by methane at a constant heat flux has been investigated both experimentally and numerically. A 3D turbulent mathematical model was developed to simulate the dynamic motion of these particles in a methane content reactor and experiments were conducted to evaluate the model. The kinetics of the reaction were obtained using an optimizing method as: [-Ln(1-X)]1/2.91 = 1.02 × 10−2dP−2.07CCH40.16exp(−1.78 × 105/RT)t. The model predictions were compared with the experimental data and the data had an excellent agreement.


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