Mean Relative Deviation Research Articles

Determination of glyphosate and its derivative, aminomethylphosphonic acid, in human urine by gas chromatography coupled to tandem mass spectrometry and isotope pattern deconvolution

An analytical method for the simultaneous determination of glyphosate (GLY) and its main derivative, aminomethyl-phosphonic acid (AMPA), in human urine has been developed using gas chromatography coupled to tandem mass spectrometry (MS/MS) operated in multiple reaction monitoring mode (MRM). Sample preparation involved dilution of urine with water and derivatization with a mixture of trifluoroacetic acid anhydride and trifluoroethanol. Derivatization conditions such as reaction time and temperature, derivative stability, injection solvent, MS ionization mode and MS-MS transitions, among others, were studied to obtain the highest method sensitivity. The target compounds were initially quantified by the isotope dilution method using isotopically labelled analogs of GLY and AMPA as internal standards. However, due to spectral overlap between GLY and labelled GLY in the selected quantitative transition, a quantification method based on isotope pattern deconvolution (IPD) has been developed. The instrumental limits of detection were 0.05 ng mL−1 for both compounds, while the method detection limits were 0.39 and 0.25 ng mL−1, for AMPA and GLY, respectively. The mean recoveries from urine and water spiked at different concentrations were 77 and 69% for AMPA and 90 and 102% for GLY, respectively, with mean relative standard deviations of 8–10% (urine samples, n = 12) and 3.6–4% (water samples, n = 6). Once validated, the feasibility of the method was tested by determination of AMPA and GLY in human urine samples from people living close to agricultural areas. The developed method affords the determination of these compounds at trace concentrations in complex matrices such as urine, avoiding elaborate handling and cleanup steps. Isotope pattern deconvolution has proven to be a successful alternative to calibration curve for GLY overriding the method uncertainties associated to spectral overlapping.

Assessment of water absorption characteristics for improved sesame (Sesamum indicum L.) varieties during hydration

AbstractThe water absorption characteristics of sesame varieties (GT‐3, GT‐4, GJT‐5, GT‐6, and TKG‐22) were studied during hydration at temperatures ranging 35–55°C. The Peleg model adequately defined the hydration behavior of sesame seed varieties at the 35°C, 45°C, and 55°C soaking temperatures with the comparable coefficient of determination (R2) and mean relative percentage deviation modulus (P). The Peleg rate constant K1 and the capacity constant K2 reduced significantly with the rise in hydration temperatures, suggesting corresponding increases in the initial hydration rate as well as the equilibrium moisture content in all the varieties tested. The Arrhenius equation was used to calculate the activation energy (Ea) of GT‐3, GT‐4, GJT‐5, GT‐6, and TKG‐22 sesame varieties and was noted to be 38.74, 33.37, 30.68, 37.85, and 33.23 kJ/mol, respectively. The enthalpy (H) was raised significantly with hydration temperature while entropy (ΔS) and released energy (ΔG) were found nonsignificant (p > 0.05).

Measurement and correlation of solubility data for deferiprone in propylene glycol and 2-propanol at different temperatures

This investigation dealt with the thermodynamic properties, saturated solubility values, and solvation behavior of deferiprone as an oral iron chelator agent in non-aqueous mixtures of propylene glycol and 2-propanol using experimental measurements and mathematical correlations. The solubility of deferiprone demonstrated a positive correlation with both temperature and propylene glycol mass fraction. Four mathematical models were employed to correlate the solid-liquid equilibrium data, and the low mean relative deviation values of less than 3.6% illustrate the good agreement of computed data with the experimental data. The apparent thermodynamic behavior of deferiprone dissolution was also investigated according to van’t Hoff and Gibbs equation.

Quantitative Representation of Water Quality Biotoxicity by Algal Photosynthetic Inhibition.

The method based on the photosynthetic inhibition effect of algae offers the advantages of swift response and straightforward measurement. Nonetheless, this effect is influenced by both the environment and the state of the algae themselves. Additionally, a single parameter is vulnerable to uncertainties, rendering the measurement accuracy and stability inadequate. This paper employed currently utilized photosynthetic fluorescence parameters, including Fv/Fm(maximum photochemical quantum yield), Performance Indicator (PIabs), Comprehensive Parameter Index (CPI) and Performance Index of Comprehensive Toxicity Effect (PIcte), as quantitative toxicity characteristic parameters. The paper compared the univariate curve fitting results with the multivariate data-driven model results and investigated the effectiveness of Back Propagation(BP) Neural Network and Support Vector Machine for Regression (SVR) models to enhance the accuracy and stability of toxicity detection. Using Dichlorophenyl Dimethylurea (DCMU) samples as an example, the mean Relative Root Mean Square Error (RRMSE) corresponding to the optimal parameter PIcte for the dose-effect curve fitting was 1.246 in the concentration range of 1.25-200 µg/L. On the other hand, the mean RRMSEs corresponding to the results of the BP neural network and SVR models were 0.506 and 0.474, respectively. Notably, BP neural network exhibited excellent prediction accuracy in the medium-high concentration range of 7.5-200 µg/L, with a mean RRSME of only 0.056. Regarding the stability of the results, the mean Relative Standard Deviation (RSD) of the univariate dose-effect curve results was 15.1% within the concentration range of 50-200 µg/L. In contrast, the mean RSDs for both BP neural network and SVR results were less than 5%. In the concentration range of 1.25-200 µg/L, the mean RSDs were 6.1% and 16.5%, with the BP neural network performing well. The experimental results of Atrazine were analyzed to further validate the effectiveness of the BP neural network in improving the accuracy and stability of results. These findings provided valuable insights for the development of biotoxicity detection by using the algae photosynthetic inhibition method.

Online measurement system of slab front-end bending in hot rough rolling based on line structured light vision

Front-end bending is one of the most significant defects of slabs in hot rough rolling. To address the lack of effective methods to detect slab front-end bending in hot rolling, a measurement system based on line structured light vision is proposed in this paper. Line structured light lasers and area-scan cameras are arranged on the supports on both the exit and entrance of a roughing mill. First, the calibration of the measurement system is completed by camera calibration and the random sampling consistency algorithm. Second, multiple regions of interest gray thresholds and the Steger algorithm are used to realize laser centerline extraction on the surface of a large-scale and high-temperature slab. Last, the actual value of the slab front-end bending is obtained and calculated through coordinate transformation. The proposed measurement system can detect slab front-end bending in real time and the relative mean deviation is 0.93%.

Simulation study on coupled heat and moisture transfer in grain drying process based on discrete element and finite element method

In present article, the soybean packed bed was generated based on the Discrete Element Method, and the distribution of radial porosity and airflow path of the packed bed were analyzed. The porosity distribution of the packed bed is not uniform, and it is larger near the wall. However, it is lower near the central axis, resulting in a larger airflow tortuosity in this area. Based on the thermal non-equilibrium principle, the double-diffusion heat and moisture transfer model of grain pile was developed. The double-diffusion model was verified and validated using experimental data from the relative literature on soybean thin-layer drying, and the mean relative deviation was 1.74–4.47% between the simulated and the experimental results. The model was applied to the drying process of soybean packed bed, and the influence of drying air temperature and inlet air velocity on drying was analyzed. It was shown that the moisture transfer rate of soybean is mainly affected by the drying air temperature and the moisture content of soybean. At constant air temperature of 35 °C, 45 °C, 55 °C, and 65 °C, and drying air relative humidity of 17%, 21%, 25%, and 30%, respectively, the drying rates were 0.086, 0.089, 0.093, and 0.098%(d.b.)/min, respectively (within the first 10 min). The drying with the stepwise temperature makes the drying rate curve abnormal. Compared with the constant temperature drying at 45 °C, when the drying air temperature changes from the initial value of 55 °C and 35 °C to the end value of 40 °C and 65 °C, respectively. It was observed that drying the packed bed moisture content to 14.5%(d.b.) saves time as much as 80, 110, and 130 min.

Development, optimization, and in vitro/in vivo evaluation of ranitidine hydrochloride resinate sustained release suspension

Purpose: To prepare ranitidine hydrochloride (RH) sustained-release suspension aimed at improving its safety, effectiveness and convenience of administration. Methods: The RH resinate suspension was prepared using bath method, with a cation- exchange resin as carrier. To obtain an ideal sustained release effect, RH resinates were coated with Eudragit®RS100 using the surface coating method, followed by optimization through a single-factor experiment and response surface analysis. The optimized RH suspension was characterized using accelerated stability test. Moreover, it was pharmacokinetically evaluated in vivo. Results: The optimized RH resin microcapsules showed relative mean deviation between the predicted and measured release values that was < 10 %, (p < 0.05) and demonstrated good reproducibility. Accelerated stability test results showed that the optimized RH suspension exhibited good stability over a period of 6 months (F > 0.9; drug content: 97 – 100 %, drug release: f2 > 50; drug leakage < 0.5 %), with good redispersibility. Results from pharmacokinetics showed that values of Tmax for RH sustained-release suspension and RH common tablet were 4.00 and 2.5 h, respectively (p < 0.05), while the corresponding Cmax values were 2545.78 and 3245.97 ng/mL, respectively (p < 0.05). Results of analysis of AUC0-24 showed that they were equivalent in terms of AUC0-24 (p < 0.05) and bioavailability of 101.05%. Conclusion: The optimized ranitidine hydrochloride (RH) sustained-release suspension has been successfully prepared using ion-exchange resin as a carrier and Eudragit® RS100 as a coating material.

Integrated a Fused Silica Capillary Cell and In Situ Raman Spectroscopy for Determining the Solubility of CO2 in n-Decane and n-Decane + n-Hexane System

Understanding the solubility of CO2 is critical for implementing CO2-enhanced oil recovery (CO2-EOR). In this work, the solubility of CO2 in n-decane in a temperature range between 303.15 K and 353.15 K and pressures up to 15 MPa was measured using a fused silica capillary cell with in situ Raman spectroscopy. A semi-empirical CO2 solubility prediction model was obtained according to the experimental results. In order to improve the solubility of CO2 in n-decane, the solubility of CO2 in n-decane and co-solvent n-hexane (3% wt) mixture was also comparatively investigated. The results indicated that the solubility of CO2 in n-decane was 1.6355~64.0084 mol/kg. The data from the prediction model were in good agreement with the experimental data, and the mean relative deviation was 3.65%, indicating that the prediction model could be used to predict the solubility of CO2 in n-decane under different conditions. The solubility of CO2 in n-decane + n-hexane system ranged from 1.0127 mol/kg to 65.7286 mol/kg. It was found that, under low-pressure conditions, the addition of co-solvent n-hexane did not enhance the solubility of CO2, while it had a certain enhancement effect on the dissolution of CO2 under high-pressure conditions. As the temperature increased from 303.15 K to 353.15 K, the enhancement efficiency of the solubility of CO2 also increased from 1.34~2.05% to 8.17~9.82%, and the average enhancement efficiency increased from 1.74% to 9.00%. This study provides more CO2 solubility data for CO2-EOR.

Mathematical Models of Moisture Sorption Isotherms of Grains Sorghum (Sorghum bicolor (L.) Moench)

1U. of K. J. Agric. Sci. 22(1), 1-12, 2014Mathematical Models of Moisture Sorption Isotherms of GrainsSorghum (Sorghum bicolor (L.) Moench)Eman Abdu Abdalla1 , Mohamed Ayoub Ismail and AbdelmoniemElamin Mohamed2Department of Agricultural Engineering, Faculty of Agriculture,University of Khartoum, SudanAbstract: The objective of the study was to fit or test the experimentaldata of adsorption and desorption isotherms of grains sorghum The studywas carried out at the Department of Agricultural Engineering, Faculty ofAgriculture, University of Khartoum and the Food Processing ResearchCenter, Shambat, Sudan, during January 2007 - March 2008. Fourmathematical models namely modified Henderson, modified Chung-Pfost, modified Oswin and modified Halsey were used to predict sorptionisotherms. The adsorption and desorption isotherms were determinedusing standard static gravimetric method, six levels of water activitiesrang 0.112- 0.865 were maintained by using saturated salt solutions insideair-tight glass desiccators, while incubators were used to maintain three aconstant temperature namely 25oC,35 oC and 45oC. A non-linearregression analysis was used to evaluate the parameters of the fourselected models. The models were compared by using statisticalparameters: mean relative percentage deviation (P%), standard error ofestimates (Es), coefficient of determination (R2 ) and randomness ofresidual plots of difference between measured and predicted values. Forthe mathematical models, the results indicated that the modified Chung-Pfost model satisfactorily predicts the adsorption and desorptionisotherms of grains sorghum

The importance of inspecting the inoculum’s methane production for estimating kinetic parameters in biochemical methane potential tests

The aim of this study was to improve the quality of estimations of the first-order kinetic constant k, in Biochemical Methane Potential (BMP) tests. The results showed that existing guidelines for BMP tests are not sufficient to improve the estimation of k. The methane production of the inoculum itself exerted a major influence on the estimation of k. A flawed value in k was correlated with a high endogenous methane production. Excluding blanks that showed a distinct lag-phase of >1 day and a mean relative standard deviation >10% during the first ten days of a BMP test helped to retrieve more consistent estimates for k. For improving the repeatability in the determination of k in BMP tests, it is strongly recommended to inspect the methane production rate of the blanks. The proposed threshold values may be applied by other researchers but need further verification with different data.

Determination of Se and Te by hydride generation-inductively coupled plasma mass spectrometry after mixed-acid digestion of tungsten ores

Se and Te in tungsten ores are important parameters for exploring the metallogenetic process of tungsten ores; however, due to their high refractory, low abundance, extreme volatilization, as well as the complex matrix interference during analysis, it is a challenge to accurately determining their concentrations in tungsten ores. This study presents a method of combining hydride generation device with inductively coupled plasma mass spectrometry (HG-ICP-MS) to determine the contents of Se and Te in tungsten ores. As a pre-processing step, tungsten ores were dissolved in the mixture of HF + HNO3 + HClO4 and microwaved for digestion. The analytical results show that the main matrix components (K, Na, Ca, Mg, Fe, Mn and Pb) in tungsten ores have no interference, and the interference of W, Cu, Zn and Bi can be eliminate by adding an appropriate amount of Fe3+. The method was used to test 6 samples with different tungsten concentrations. Compared with the results of hydride generation atomic fluorescence spectrometry (HG-AFS) method, the mean values of HG-ICP-MS method showed a good consistency and the relative mean deviations of Se and Te contents were in the range of −5.2%­ to 6.2% and − 3.8%­ to 3.4%, respectively. The values of Se, Te and Te/Se ratio determined from various geological samples (30 soil and sediment samples, 30 granite samples, 25 poly-metallic sulfide ore samples and 29 tungsten ore samples) highlight their potential prospecting in the metallogenetic process of tungsten ores.

First Retrieval of Total Ozone Columns from EMI-2 Using the DOAS Method

The Environmental Trace Gases Monitoring Instrument 2 (EMI-2), a second-generation Chinese hyperspectral satellite-based spectrometer, was launched on 7 September 2021. The total ozone column (TOC) product, which is one of the most important elements of the EMI-2 mission, is required for monitoring the Antarctic ozone hole and regional tropospheric ozone pollution. The first EMI-2 TOC results using the differential optical absorption spectroscopy (DOAS) method are presented in this study. Significant improvements, such as the fitting interval, reference spectrum, and iterative air mass factor (AMF) calculation scheme, were implemented in the EMI-2 TOC retrieval in comparison with the EMI DOAS TOC algorithm, thus generating more accurate reads. The monthly average EMI-2 DOAS TOCs in November 2021 were compared with the TROPOspheric Monitoring Instrument (TROPOMI) TOCs, and the results showed a good correlation (R = 0.99). The EMI-2 TOCs showed similar global spatial distributions to those of TROPOMI, with an overall mean relative bias and mean standard deviation of 0.16% and 2.38%, respectively. However, large differences (up to 7%) appeared in some polar areas near the coastline, which were mainly caused by different surface albedo algorithms. Furthermore, ground-based measurements from 20 stations across different latitudes derived from the World Ozone and Ultraviolet Radiation Data Center dataset were used to assess the accuracy of the EMI-2 DOAS TOCs, and they had a mean relative bias and mean standard deviation of 0.70% and 3.65%, respectively. These results indicate that the EMI-2 DOAS TOC algorithm can yield reliable global TOCs and monitor daily Antarctic TOCs for assessing the healing of ozone holes.

Counting-loss correction method based on window pulse shaping

In order to obtain a precise X-ray counting rate, a window shaping algorithm is proposed and is applied. The proposed algorithm shapes original pulses into window pulses with sharp edge and stable width. In the experiment, the measured counting rate at 3.9uA tube current is used to estimate the incoming counting rate. The dead time and corrected counting rate are estimated by the paralyzable dead-time model. The experimental results show that the mean dead time of radiation events is 260ns and the relative mean deviation is 3.44% in the newly designed counting system. While the incoming counting rate is in the range of 100kcps to 2Mcps, the relative error of the corrected counting rate compared with the incoming counting rate is less than 1.78%. The proposed algorithm suppresses the dead time swing and improves the accuracy of the total counting rate of X-ray fluorescence spectrum.

Physiologically based pharmacokinetic-pharmacodynamic evaluation of meropenem in CKD and hemodialysis individuals.

Objective: Chronic kidney disease (CKD) has significant effects on renal clearance of drugs. The application of antibiotics in CKD patients to achieve the desired therapeutic effect is challenging. This study aims to determine meropenem plasma exposure in the CKD population and further investigate optimal dosing regimens. Methods: A healthy adult PBPK model was established using the meropenem's physicochemical parameters, pharmacokinetic parameters, and available clinical data, and it was scaled to the populations with CKD and dialysis. The differences between the predicted concentration, Cmax, and AUClast predicted and observed model values were assessed by mean relative deviations (MRD) and geometric mean fold errors (GMFE) values and plotting the goodness of fit plot to evaluate the model's performance. Finally, dose recommendations for CKD and hemodialysis populations were performed by Monte Carlo simulations. Results: The PBPK models of meropenem in healthy, CKD, and hemodialysis populations were successfully established. The MRD values of the predicted concentration and the GMFE values of Cmax and AUClast were within 0.5-2.0-fold of the observed data. The simulation results of the PBPK model showed the increase in meropenem exposure with declining kidney function in CKD populations. The dosing regimen of meropenem needs to be further adjusted according to the renal function of CKD patients. In patients receiving hemodialysis, since meropenem declined more rapidly during the on-dialysis session than the off-dialysis session, pharmacodynamic evaluations were performed for two periods separately, and respective optimal dosing regimens were determined. Conclusion: The established PBPK model successfully predicted meropenem pharmacokinetics in patients with CKD and hemodialysis and could further be used to optimize dosing recommendations, providing a reference for personalized clinical medication.

CFD Simulation of Temperature and Air Flow in a Natural Convection Solar Tunnel Dryer with a Bare Flat-Plate Chimney

Computational Fluid Dynamics simulation of a natural convection solar tunnel dryer with a bare flat-plate chimney is presented. The chimney’s function is to create airflow in the dryer through the buoyancy effect by re-heating the air coming from the drying unit and is therefore a major factor in the drying rate. CFD simulation was therefore employed to study the temperature and airflow in the dryer and determine the areas that could be improved upon. The design of the solar tunnel dryer geometry used in this simulation was done in SOLIDWORKS 2016 whereas the simulation of temperature distribution of airflow inside the dryer was performed using SOLIDWORKS 2016 flow simulation program in a steady-state regime. The boundary conditions were set using the obtained experimental data. The simulation results showed that the chimney losses heat, that there is air recirculation in the collector, that the airflow experiences some pressure loss as it moves from the drying chamber to the chimney, and that there is some reduction of the velocity in some parts of the dryer. The simulated and experimental collector efficiencies were found to be 33.09 and 37.63%, respectively, giving a mean relative deviation of collector temperature of 5.1%. To improve the performance of the dryer, insulating and glazing of the chimney is suggested as well as using a curved joint between the chimney and the drying chamber.

Energetics and Ionic–Electronic and Geometric Variabilities of Hydroxylammonium-Based Salts

In the present work, we study the formation energy of energetic ionic salts (EISs), as well as the volumetric and electric variabilities of ions involved in EISs, by employing 25 hydroxylammonium cations (HA+) in 22 salts as examples. We identify the viability of a dispersion-corrected density functional theory method, PBE-D3(BJ), to describe the lattice parameters, with a mean relative deviation of 1.26% and a maximal relative deviation of 2.5%. Thereby, the ionization energy, formation energy, and lattice energy are predicted. The variability of volume (VHA+) is confirmed in different HA+-based salts, as well as between two HA+ of the same lattice with Z′ > 1. The largest difference of VHA+ among the 25 HA+ reaches ∼9%. This variability of VHA+ is originated from the difference in crystal field effects, or intermolecular interactions. That is, the stronger intermolecular hydrogen bond tends to exhibit a stronger drag and pull effect on HA+ and leads to a larger VHA+. In comparison, it exhibits a more significant variability of electricity, as the maximal total Mulliken charge of HA+ (QHA+) is >1.67 times the minimal one. Moreover, the observed QHA+ varying from 0.164 to 0.438 e is much less than the apparent charge of 1 e, suggesting the highly insufficient charge of HA+ in EISs. This means that the ionic bonding does not necessarily govern the intermolecular interactions in common EISs. Besides, an electrostatic potential (ESP) minimum-oxygen balance (OB) correlation is found in the anions countering HA+, as the more negative OB tends to cause a more negative ESP minimum. All of these findings are expected to richen the insight into the nature of EISs as a special group of EMs.

Clinical and Technical Validation of Novel Bite Force Measuring Device for Functional Analysis after Mandibular Reconstruction.

Bite force measuring devices that are generally suitable for edentulous patients or patients undergoing mandibular reconstruction are missing. This study assesses the validity of a new bite force measuring device (prototype of loadpad®, novel GmbH) and evaluates its feasibility in patients after segmental mandibular resection. Accuracy and reproducibility were analyzed with two different protocols using a universal testing machine (Z010 AllroundLine, Zwick/Roell, Ulm, Germany). Four groups were tested to evaluate the impact of silicone layers around the sensor: no silicone ("pure"), 2.0 mm soft silicone ("2-soft"), 7.0 mm soft silicone ("7-soft") and 2.0 mm hard silicone ("2-hard"). Thereafter, the device was tested in 10 patients prospectively who underwent mandibular reconstruction using a fibula free flap. Average relative deviations of the measured force in relation to the applied load reached 0.77% ("7-soft") to 5.28% ("2-hard"). Repeated measurements in "2-soft" revealed a mean relative deviation of 2.5% until an applied load of 600 N. Maximum bite force decreased postoperatively by 51.8% to a maximum mean bite force of 131.5 N. The novel device guarantees a high accuracy and degree of reproducibility. Furthermore, it offers new opportunities to quantify perioperative oral function after reconstructive surgery of the mandible also in edentulous patients.

Experimental investigation on flow condensation pressure drop of R134a in microfin tube at high mass flux

Abstract To clarify the influencing mechanisms of the experimental condition and the tube structure on the pressure drop of heat transfer fluid, the two-phase flow condensation pressure drop of R134a inside the microfin tube was experimentally studied at high mass flux, which is different from other conventional researches. The experimental result shows the pressure drop is proportional to mass flux and fin helical angle, and is inversely proportional to condensation temperature and coolant Reynolds number. Moreover, the experimental data of pressure drop was compared with the predicted value of some existing correlations for the microfin tube. It can be found that the correlations of Cavallini et al., Han et al. and Haraguchi et al. show a good prediction effect with mean relative deviation (MRD) of 13.89, 16.08 and −2.19%, respectively. The correlations of Pierre/0.053, Kedzierski et al. and Choi et al. all underestimate most of the experimental data of the pressure drop inside the tube, and their prediction deviations are >10%. That is, the application effect of the separated flow model is better than that of the homogeneous flow model. Finally, the Kedzierski et al. correlation was improved to realize a high-precision prediction of the fluid flow mechanism inside the tube. Because the prediction deviation of the improved correlation between the experimental value and the predicted value was greatly reduced, its prediction deviation is <10% for R134a and R410A; therefore, it can be said the improved correlation has a good predictive result for the pressure drop.

A study on the cross-section data of 43,44m,46,47Sc isotopes via (d,x) reactions on natural abundance targets under the effects of deuteron optical models

Many studies have investigated the influence of theoretical models and factors involved in the acquisition of cross-section data of a nuclear reaction. The implications of different models of various variables such as level density, gamma strength function, and optical potentials on cross-section calculations whether used solo or jointly are investigated in a significant portion of the works conducted in this perspective. The aim of this particular study is to investigate the influence of different optical models on the cross-section calculations in production of several scandium isotopes, known for various medical uses, from several targets with natural abundances by (d,x) reactions. For this purpose, the cross-section calculations using five available deuteron optical models of TALYS code in natTi(d,x)43Sc, natTi(d,x)44mSc, natTi(d,x)46Sc, natTi(d,x)47Sc, natV(d,x)47Sc and natCr(d,x)47Sc reactions were performed and the obtained calculation results were compared with the experimental cross-section data gathered from the literature. To understand whether there is a significant and consistent relationship between the experimental data and the calculation results, both have been plotted together and analyzed with the naked-eye. In addition, the calculations of the mean standardized deviation, the mean relative deviation, the mean ratio and the mean square logarithmic deviation were performed in order to evaluate the results numerically.

Closed-Vessel Conductively Heated Digestion System for the Elemental Analysis of Agricultural Materials by High-Resolution Continuum Source Flame Atomic Absorption Spectrometry (HR-CS FAAS)

Novel applications of the closed-vessel conductively heated digestion system (CHDS) are proposed to digest biomass, biochar, oyster shell flour, bone meal and swine manure for the determination of Ca, K, Mg, Na, Cu, Fe, Mn, and Zn by high-resolution continuum source flame atomic absorption spectrometry (HR-CS FAAS). The performance of the digestion method using 14 and 7 mol L−1 HNO3 was checked by analyzing soil, rock, and plant certified reference materials (CRMs). For comparative purposes, all samples were analyzed after microwave-assisted digestion (MW-AD). Results obtained for most analytes by the closed-vessel conductively heated digestion system (CHDS) were in agreement with certified values and those attained by the comparative digestion method. The use of 7 mol L−1 HNO3 furnished lower blanks for most analytes and was effective to prepare challenging samples as biomass, biochar, shell and bone meal, swine manure, plants, soil, phosphate rock, and may be a good alternative for elemental determinations using most analytical techniques that rely on solution-based sample introduction systems. The detection limits (dry basis, mg kg−1) for Ca, Cu, Fe, K, Mg, Mn, Na, and Zn were 3, 0.4, 4, 4, 0.7, 0.4, 3, and 2, respectively. The mean relative standard deviations were close to 4.9% for closed-vessel conductively heated digestion (CHDS) and 5.9% for microwave-assisted digestion (MW-AD).