Reaction Kinetic Analysis of Syntesized Lifepo4 Using Kissinger Method

The reaction kinetic analyses of synthesized LiFePO4 have been done using Kissinger method. LiFePO4 was prepared by mixing equimolar amount of LiCl, FeCl2.4H2O and H3PO4 in distilled water solution. Solution homogenization was achived by magnetic stirring and heating at 60 ºC. LiFePO4 precursor obtained after heat treatment at 200 ºC for 2 hours. LiFePO4 precursor was then analysized by using Differential Thermal Analysis (DTA) at heating rate of 5, 10, 15 and 20 ºC min-1 respectively. LiFePO4 powder was obtained after heating at 700 ºC for 4 hours, then the X-Ray Diffactometer (XRD) analysis was done to confirm phase purity and crystalline structure, meanwhile morphology observation was done by using Scanning Electron Microscope (SEM). By using Kissinger method, activation energy of LiFePO4 formation reaction was about Ea = 412 kJmol-1, and the frequeny factor A =1,1705 x 103

Kinetic analysis of drug release from nanoparticles

PURPOSE. Comparative drug release kinetics from nanoparticles was carried out using conventional and our novel models with the aim of finding a general model applicable to multi mechanistic release. Theoretical justification for the two best general models was also provided for the first time. METHODS. Ten conventional models and three models developed in our laboratory were applied to release data of 32 drugs from 106 nanoparticle formulations collected from literature. The accuracy of the models was assessed employing mean percent error (E) of each data set, overall mean percent error (OE) and number of Es less than 10 percent. RESULTS. Among the models the novel reciprocal powered time (RPT), Weibull (W) and log-probability (LP) ones produced OE values of 6.47, 6.39 and 6.77, respectively. The OEs of other models were higher than 10%. Also the number of errors less than 10% for the models was 84.9, 80.2 and 78.3 percents of total number of data sets. CONCLUSIONS. Considering the accuracy criteria the reciprocal powered time model could be suggested as a general model for analysis of multi mechanistic drug release from nanoparticles. Also W and LP models were the closest to the suggested model RPT

Kinetic Analysis of Lower Body Resistance Training Exercises

This study evaluated and compared the peak vertical ground reaction force (GRF) and rate of force development (RFD) for the eccentric and concentric phases of 4 lower body resistance training exercises, including the back squat, deadlift, step-up, and forward lunge. Sixteen women performed 2 repetitions of each of the 4 exercises at a 6 repetition maximum load. Kinetic data were acquired using a force platform. A repeated measures ANOVA was used to evaluate the differences in GRF between the exercises. Results revealed significant main effects for GRF both the eccentric (p ≤ 0.001) and concentric (p ≤ 0.001) phases. Significant main effects were also found for RFD for the eccentric (p ≤ 0.001) and concentric phases (p ≤ 0.001). Force and power requirements and osteogenic potential differ between these resistance training exercises

Kinetic Analysis of Discrete Path Sampling Stationary Point Databases

Analysing stationary point databases to extract phenomenological rate constants can become time-consuming for systems with large potential energy barriers. In the present contribution we analyse several different approaches to this problem. First, we show how the original rate constant prescription within the discrete path sampling approach can be rewritten in terms of committor probabilities. Two alternative formulations are then derived in which the steady-state assumption for intervening minima is removed, providing both a more accurate kinetic analysis, and a measure of whether a two-state description is appropriate. The first approach involves running additional short kinetic Monte Carlo (KMC) trajectories, which are used to calculate waiting times. Here we introduce `leapfrog' moves to second-neighbour minima, which prevent the KMC trajectory oscillating between structures separated by low barriers. In the second approach we successively remove minima from the intervening set, renormalising the branching probabilities and waiting times to preserve the mean first-passage times of interest. Regrouping the local minima appropriately is also shown to speed up the kinetic analysis dramatically at low temperatures. Applications are described where rates are extracted for databases containing tens of thousands of stationary points, with effective barriers that are several hundred times kT.Comment: 28 pages, 1 figure, 4 table

Kinetic analysis of an efficient DNA-dependent TNA polymerase.

alpha-l-Threofuranosyl nucleoside triphosphates (tNTPs) are tetrafuranose nucleoside derivatives and potential progenitors of present-day beta-d-2'-deoxyribofuranosyl nucleoside triphosphates (dNTPs). Therminator DNA polymerase, a variant of the 9 degrees N DNA polymerase, is an efficient DNA-directed threosyl nucleic acid (TNA) polymerase. Here we report a detailed kinetic comparison of Therminator-catalyzed TNA and DNA syntheses. We examined the rate of single-nucleotide incorporation for all four tNTPs and dNTPs from a DNA primer-template complex and carried out parallel experiments with a chimeric DNA-TNA primer-DNA template containing five TNA residues at the primer 3'-terminus. Remarkably, no drop in the rate of TNA incorporation was observed in comparing the DNA-TNA primer to the all-DNA primer, suggesting that few primer-enzyme contacts are lost with a TNA primer. Moreover, comparison of the catalytic efficiency of TNA synthesis relative to DNA synthesis at the downstream positions reveals a difference of no greater than 5-fold in favor of the natural DNA substrate. This disparity becomes negligible when the TNA synthesis reaction mixture is supplemented with 1.25 mM MnCl(2). These results indicate that Therminator DNA polymerase can recognize both a TNA primer and tNTP substrates and is an effective catalyst of TNA polymerization despite changes in the geometry of the reactants

Molecular kinetic analysis of a finite-time Carnot cycle

We study the efficiency at the maximal power $\eta_\mathrm{max}$ of a finite-time Carnot cycle of a weakly interacting gas which we can reagard as a nearly ideal gas. In several systems interacting with the hot and cold reservoirs of the temperatures $T_\mathrm{h}$ and $T_\mathrm{c}$, respectively, it is known that $\eta_\mathrm{max}=1-\sqrt{T_\mathrm{c}/T_\mathrm{h}}$ which is often called the Curzon-Ahlborn (CA) efficiency $\eta_\mathrm{CA}$. For the first time numerical experiments to verify the validity of $\eta_\mathrm{CA}$ are performed by means of molecular dynamics simulations and reveal that our $\eta_\mathrm{max}$ does not always agree with $\eta_\mathrm{CA}$, but approaches $\eta_\mathrm{CA}$ in the limit of $T_\mathrm{c} \to T_\mathrm{h}$. Our molecular kinetic analysis explains the above facts theoretically by using only elementary arithmetic.Comment: 6 pages, 4 figure

Kinetic Analysis of the Thermal Degradation of Polystyrene-Montmorillonite Nanocomposite

Nanocomposites exhibit a combination of unique properties, such as increased heat distortion temperature, reduced permeability, reduced flammability and improved mechanical properties. In this work, a polystyrene (PS) clay nanocomposite was prepared via bulk polymerization using a novel organically modified montmorillonite (MMT). The organic-modifier is the N,N-dimethyl-n-hexadecyl-(4-vinylbenzyl) ammonium chloride (VB16). The thermal stability of PS–VB16 compared to pure PS is examined in pyrolytic and thermo-oxidative conditions. It is then studied using a kinetic analysis. It is shown that the stability of PS is significantly increased in the presence of clay. The thermal behavior of PS and PS nanocomposite is modeled and simulated. A very good agreement between experimental and simulated curves both in dynamic and isothermal conditions is observed. Using kinetic analysis associated to the reaction to fire of PS nanocomposite simulated in a cone calorimeter, the peak of heat release rate is half that of virgin PS, it is suggested that the clay acts as a char promoter slowing down the degradation and providing a protective barrier to the nanocomposite. The combination of these two effects is an important factor lowering the HRR

Thermodynamic and Kinetic Analysis of Sensitivity Amplification in Biological Signal Transduction

Based on a thermodynamic analysis of the kinetic model for the protein phosphorylation-dephosphorylation cycle, we study the ATP (or GTP) energy utilization of this ubiquitous biological signal transduction process. It is shown that the free energy from hydrolysis inside cells, $\Delta G$ (phosphorylation potential), controls the amplification and sensitivity of the switch-like cellular module; the response coefficient of the sensitivity amplification approaches the optimal 1 and the Hill coefficient increases with increasing $\Delta G$. We discover that zero-order ultrasensitivity is mathematically equivalent to allosteric cooperativity. Furthermore, we show that the high amplification in ultrasensitivity is mechanistically related to the proofreading kinetics for protein biosynthesis. Both utilize multiple kinetic cycles in time to gain temporal cooperativity, in contrast to allosteric cooperativity that utilizes multiple subunits in a protein.Comment: 19 pages, 7 figure