DBP formation in drinking water: kinetics and linear modelling

2008 ◽  
Vol 8 (2) ◽  
pp. 161-166 ◽  
Author(s):  
G. Della Greca ◽  
M. Fabbricino
Keyword(s):  
Experimental Data ◽  
Partition Coefficients ◽  
Reaction Rate ◽  
Oxidation Reactions ◽  
State Approximation ◽  
Steady State Approximation ◽  
Linear Modelling ◽  
Linear Differential ◽  
Original Approach ◽  
By Products

An original approach for modelling disinfection by-products formation in chlorinated water is proposed. Assuming a multi-step formation mechanism, and introducing partition coefficients to differentiate the various compounds formed as a consequence of halogen incorporation and oxidation reactions, a system of linear differential equations is obtained and solved in explicit terms. Two sets of solutions are derived: the first one assuming that the reaction rate is the same for all species included in the model, as a consequence of steady state approximation; the second one assuming that the reaction rate is different from one species to another. Experimental data, obtained varying reaction time and chlorine dose, are used to calibrate the two models. Statistic tests are also performed to compare the two sets of solutions and validate the assumed hypotheses.

Optimizing Nephelometric Measurement of Specific Serum Proteins: Evaluation of Three Diluents

1974 ◽  
Vol 20 (12) ◽  
pp. 1548-1552 ◽  
Author(s):  
Lawrence M Killingsworth ◽  
Gregory J Buffone ◽  
Meena B Sonawane ◽  
Glennie C Lunsford
Keyword(s):  
Steady State ◽  
Continuous Flow ◽  
Reaction Rate ◽  
Serum Proteins ◽  
Physiological Saline ◽  
Rate Analysis ◽  
Specific Serum ◽  
State Approximation ◽  
Α2 Macroglobulin ◽  
Steady State Approximation

Abstract Three diluents were studied, to determine which is the best for the automated immunochemical measurement of specific serum proteins. Nine serum proteins (orosomucoid, α1-antitrypsin, α2-macroglobulin, haptoglobin, transferrin, C3, IgG, IgA, and IgM) were measured in physiological saline (9 g NaCI/liter), tris(hydroxymethyl)aminomethane buffer (0.01 mol/liter; pH 7.4), and physiological saline containing polyethylene glycol ("PEG 6000," 40 g/liter). Criteria were: reaction rate, analysis rate, carryover between samples, steady-state approximation, precision, and correlation with other methods. Saline containing polyethylene giycol is the best of the three diluents for use in continuous-flow nephelometric analysis of serum proteins.

Synthesis and Kinetics of Highly Substituted Piperidines in the Presence of Tartaric Acid as a Catalyst

2018 ◽  
Vol 21 (4) ◽  
pp. 302-311
Author(s):  
Younes Ghalandarzehi ◽  
Mehdi Shahraki ◽  
Sayyed M. Habibi-Khorassani
Keyword(s):  
Ambient Temperature ◽  
Tartaric Acid ◽  
Aromatic Aldehydes ◽  
One Pot ◽  
Rate Determining Step ◽  
State Approximation ◽  
Solvent Free Conditions ◽  
Steady State Approximation ◽  
Absorbance Changes ◽  
The One

Aim & Scope: The synthesis of highly substituted piperidine from the one-pot reaction between aromatic aldehydes, anilines and β-ketoesters in the presence of tartaric acid as a catalyst has been investigated in both methanol and ethanol media at ambient temperature. Different conditions of temperature and solvent were employed for calculating the thermodynamic parameters and obtaining an experimental approach to the kinetics and mechanism. Experiments were carried out under different temperature and solvent conditions. Material and Methods: Products were characterized by comparison of physical data with authentic samples and spectroscopic data (IR and NMR). Rate constants are presented as an average of several kinetic runs (at least 6-10) and are reproducible within ± 3%. The overall rate of reaction is followed by monitoring the absorbance changes of the products versus time on a Varian (Model Cary Bio- 300) UV-vis spectrophotometer with a 10 mm light-path cell. Results: The best result was achieved in the presence of 0.075 g (0.1 M) of catalyst and 5 mL methanol at ambient temperature. When the reaction was carried out under solvent-free conditions, the product was obtained in a moderate yield (25%). Methanol was optimized as a desirable solvent in the synthesis of piperidine, nevertheless, ethanol in a kinetic investigation had none effect on the enhancement of the reaction rate than methanol. Based on the spectral data, the overall order of the reaction followed the second order kinetics. The results showed that the first step of the reaction mechanism is a rate determining step. Conclusion: The use of tartaric acid has many advantages such as mild reaction conditions, simple and readily available precursors and inexpensive catalyst. The proposed mechanism was confirmed by experimental results and a steady state approximation.

scholarly journals Biodegradation of Chloroxylenol by Cunninghamella elegans IM 1785/21GP and Trametes versicolor IM 373: Insight into Ecotoxicity and Metabolic Pathways

2021 ◽  
Vol 22 (9) ◽  
pp. 4360
Author(s):  
Marta Nowak ◽  
Katarzyna Zawadzka ◽  
Janusz Szemraj ◽  
Aleksandra Góralczyk-Bińkowska ◽  
Katarzyna Lisowska
Keyword(s):  
Trametes Versicolor ◽  
Significant Rise ◽  
Pcr Analysis ◽  
Cunninghamella Elegans ◽  
Oxidation Reactions ◽  
Cytochrome P450 Enzymes ◽  
C Elegans ◽  
Real Time Quantitative Pcr ◽  
Genes Expression ◽  
By Products

Chloroxylenol (PCMX) is applied as a preservative and disinfectant in personal care products, currently recommended for use to inactivate the SARS-CoV-2 virus. Its intensive application leads to the release of PCMX into the environment, which can have a harmful impact on aquatic and soil biotas. The aim of this study was to assess the mechanism of chloroxylenol biodegradation by the fungal strains Cunninghamella elegans IM 1785/21GP and Trametes versicolor IM 373, and investigate the ecotoxicity of emerging by-products. The residues of PCMX and formed metabolites were analysed using GC-MS. The elimination of PCMX in the cultures of tested microorganisms was above 70%. Five fungal by-products were detected for the first time. Identified intermediates were performed by dechlorination, hydroxylation, and oxidation reactions catalysed by cytochrome P450 enzymes and laccase. A real-time quantitative PCR analysis confirmed an increase in CYP450 genes expression in C. elegans cells. In the case of T. versicolor, spectrophotometric measurement of the oxidation of 2,20-azino-bis (3-ethylbenzthiazoline-6-sulfonic acid) (ABTS) showed a significant rise in laccase activity during PCMX elimination. Furthermore, with the use of bioindicators from different ecosystems (Daphtoxkit F and Phytotoxkit), it was revealed that the biodegradation process of PCMX had a detoxifying nature.

scholarly journals Validation of MATLAB algorithm to implement a two-step parallel pyrolysis model for the prediction of maximum %char yield

2021 ◽  
Vol 1 (1) ◽  
Author(s):  
Ibiba Taiwo Horsfall ◽  
Macmanus Chinenye Ndukwu ◽  
Fidelis Ibiang Abam ◽  
Ololade Moses Olatunji ◽  
Ojong Elias Ojong ◽  
...  
Keyword(s):  
Experimental Data ◽  
Isothermal Condition ◽  
Char Yield ◽  
Experimental Investigations ◽  
Time Saving ◽  
Pyrolysis Products ◽  
Pyrolysis Model ◽  
Experimental Yield ◽  
By Products ◽  
Good Agreement

AbstractNumerical modeling of biomass pyrolysis is becoming a cost and time-saving alternative for experimental investigations, also to predict the yield of the by-products of the entire process. In the present study, a two-step parallel kinetic model was used to predict char yield under isothermal condition. MATLAB ODE45 function codes were employed to solve a set of differential equations that predicts the %char at varying residence times and temperatures. The code shows how the various kinetic parameters and mass of pyrolysis products were determined. Nevertheless, the algorithm used for the prediction was validated with experimental data and results from past works. At 673.15 K, the numerical simulation using ODE45 function gives a char yield of 27.84%. From 573.15 K to 673.15 K, char yield ranges from 31.7 to 33.72% to 27.84% while experimental yield decreases from 44 to 22%. Hence, the error between algorithm prediction and experimental data from literature is − 0.26 and 0.22. Again, comparing the result of the present work with the analytical method from the literature showed a good agreement.

scholarly journals Enzyme kinetics and metabolic control. A method to test and quantify the effect of enzymic properties on metabolic variables

1990 ◽  
Vol 269 (3) ◽  
pp. 697-707 ◽  
Author(s):  
L Acerenza ◽  
H Kacser
Keyword(s):  
Enzyme Concentration ◽  
Time Dependent ◽  
Experimental Systems ◽  
State Approximation ◽  
Metabolic Systems ◽  
Steady State Approximation ◽  
Before And After ◽  
Factor Alpha ◽  
Metabolic Variables ◽  
Time Invariant

It is usual to study the sensitivity of metabolic variables to small (infinitesimal) changes in the magnitudes of individual parameters such as an enzyme concentration. Here, the effect that a simultaneous change in all the enzyme concentrations by the same factor alpha (Co-ordinate-Control Operation, CCO) has on the variables of time-dependent metabolic systems is investigated. This factor alpha can have any arbitrary large value. First, we assume, for each enzyme measured in isolation, the validity of the steady-state approximation and the proportionality between reaction rate and enzyme concentration. Under these assumptions, any time-invariant variable may behave like a metabolite concentration, i.e. S alpha = Sr (S-type), or like a flux, i.e. J alpha = alpha Jr (J-type). The subscripts r and alpha correspond to the values of the variable before and after the CCO respectively. Similarly, time-dependent variables may behave according to S alpha (t/alpha) = Sr (t) (S-type) or to J alpha (t/alpha) = alpha J r (t) (J-type). A method is given to test these relationships in experimental systems, and to quantify deviations from the predicted behaviour. A positive test for deviations proves the violation of some of the assumptions made. However, the breakdown of the assumptions in an enzyme-catalysed reaction, studied in isolation, may or may not affect significantly the behaviour of the system when the component reaction is embedded in the metabolic network.

The Quasi-Steady-State Approximation: Numerical Validation

1998 ◽  
Vol 75 (9) ◽  
pp. 1158 ◽  
Author(s):  
Richard A. B. Bond ◽  
Bice S. Martincigh ◽  
Janusz R. Mika ◽  
Reuben H. Simoyi
Keyword(s):  
Steady State ◽  
Quasi Steady State ◽  
Numerical Validation ◽  
State Approximation ◽  
Steady State Approximation
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