Construction of Predictive Models to Describe Apparent and Complex Viscosity Values of O/W Model System Meat Emulsions Using Adaptive Neuro – Fuzzy Inference System (ANFIS) and Artificial Neural Networks (ANN)

This paper introduces an adaptive neuro ?C fuzzy inference system (ANFIS) and artificial neural networks (ANN) models to predict the apparent and complex viscosity values of model system meat emulsions. Constructed models were compared with multiple linear regression (MLR) modeling based on their estimation performance. The root mean square error (RMSE), mean absolute error (MAE) and determination coefficient (R ²) statistics were performed to evaluate the accuracy of the models tested. Comparison of the models showed that the ANFIS model performed better than the ANN and MLR models to estimate the apparent and complex viscosity values of the model system meat emulsions. Coefficients of determination (R ²) calculated for estimation performance of ANFIS modeling to predict apparent and complex viscosity of the emulsions were 0.996 and 0.992, respectively. Similar R ² values (0.991 and 0.985) were obtained when estimating the performance of the ANN model. In the present study, use of the constructed ANFIS models can be suggested to effectively predict the apparent and complex viscosity values of model system meat emulsions.     

Evaluation and modeling of biochemical methane potential (BMP) of landfilled solid waste: A pilot scale study

The main goal of this study was to present a comparison of landfill performance with respect to solids decomposition. Biochemical methane potential (BMP) test was used to determine the initial and the remaining CH₄ potentials of solid wastes during 27 months of landfilling operation in two pilot scale landfill reactors. The initial methane potential of solid wastes filled to the reactors was around 0.347 L/CH₄/g dry waste, which decreased with operational time of landfill reactors to values of 0.117 and 0.154 L/CH₄/g dry waste for leachate recirculated (R1) and non-recirculated (R2) reactors, respectively. Results indicated that the average rate constant increased by 32% with leachate recirculation. Also, the performance of the system was modeled using the BMP data for the samples taken from reactors at varying operational times by MATLAB program. The first-order rate constants for R1 and R2 reactors were 0.01571 and 0.01195 1/d, respectively. The correlation between the model and the experimental parameters was more than 95%, showing the good fit of the model.     

Involvement of integrin β4 in ozone stress-induced airway hyperresponsiveness

It is known that ozone stress can induce airway hyperresponsiveness (AHR). The underlying cellular and molecular mechanisms are not fully understood. We constructed a successive ozone-stressed rat model and showed that AHR caused by ozone stress presented as increased lung resistance (R_L) to inhaled histamine but not baseline R_L. Meanwhile, structural disruption and decreased expression of integrin β4 on airway epithelia were observed. Further regression analysis revealed a significant negative correlation between increases in R_L to histamine (at 0.32 mg/ml) and mRNA expression of integrin β4. Moreover, when integrin β4 on human bronchial epithelial cells was knocked down, we found that reactive oxygen species was increased and apoptosis rates were higher. Overall, this study suggests that downregulation of integrin β4 is important for the development ozone stress-induced AHR, presumably because it causes increased oxidative damage and epithelial apoptosis.     

The tryptophan photoproduct 6-formylindolo[3,2-b]carbazole (FICZ) binds multiple AHRs and induces multiple CYP1 genes via AHR2 in zebrafish

The tryptophan photooxidation product 6-formylindolo[3,2-b]carbazole (FICZ) has been proposed as a physiological ligand for the mammalian aryl hydrocarbon receptor (AHR), which it binds with high-affinity, inducing expression of cytochrome P450 1A1 (CYP1A1). We investigated whether the response to FICZ is evolutionarily conserved in vertebrates by measuring FICZ binding to two zebrafish AHRs (AHR1B and AHR2) and its ability to induce zebrafish CYP1 genes (CYP1A, CYP1B1, CYP1C1, CYP1C2, and CYP1D1) in vivo. Exposure of zebrafish embryos (48 h-post-fertilization; hpf) to 10 nM FICZ for 6 h caused strong induction of CYP1A mRNA and a statistically significant but modest induction of CYP1B1 and CYP1C1. Neither CYP1C2 nor CYP1D1 expression was induced by FICZ under the conditions of dose, time or developmental stage examined here. CYP1A induction was significantly greater after 6 h than after 12 h of exposure to FICZ, suggesting a rapid degradation of inducer. The 6-h EC₅₀ values for induction of CYP1A and CYP1B1 by FICZ were 0.6 and 0.5 nM compared to 72-h EC₅₀ values of 2.3 and 2.7 nM for PCB126, indicating that in zebrafish embryos FICZ is a more potent inducer than PCB126. FICZ at 10 nM was able to completely displace binding of 2,3,7,8-tetrachloro-1,6[³H]-dibenzo-p-dioxin to in vitro-expressed zebrafish AHR2 and AHR1B. Inhibition of AHR2 translation in zebrafish embryos by an AHR2-specific morpholino antisense oligonucleotide decreased the induction of CYP1A and CYP1B1 by FICZ and by PCB126. Together, these results demonstrate that FICZ is a potent AHR agonist in zebrafish, inducing expression of multiple CYP1 genes largely through AHR2. Evolutionary conservation of the response to FICZ is consistent with a possible role as an endogenous signaling molecule acting through the AHR.     

Field spectrometry: New methods to investigate epilithic micro-algae on rocky shores

The use of field reflectance spectrometry to detect and quantify chlorophyll-a in intertidal epilithic micro-algae is evaluated. Sandstone disks were placed into intertidal areas for different amounts of time to accumulate micro-algae. Field reflectance spectra (350-1050 nm) were acquired from each of the disks before and after they were collected from the intertidal zone. Pigments were extracted from the sandstone disks using methanol and chlorophyll-a concentration was determined spectrophotometrically. Other pigments were identified using High Performance Liquid Chromatography (HPLC). Different ratios of reflectance were tested. A ratio of reflectances at 750 and 670 nm (R₇₅₀ / R₆₇₀) had the tightest correlation with chlorophyll-a (R² = 0.93; SE = 1.14; P = < 0.001; n = 25). Data from the field were used to predict values of chlorophyll-a; predictions were strongly and linearly related to observed values (R² = 0.95; SE = 0.15; P < 0.001; n = 8). The average difference and average absolute difference between observed and predicted values of chlorophyll-a was 0.03 μg cm^− 2 (1.79% of the measured range) and 0.14 μg cm^− 2 (8.38% of the measured range), respectively.Absorptions due to chlorophylls a, b and c, carotenoids and the phycobiliproteins phycoerythrin, phycocyanin and allophycocyanin were identified. The techniques described here enable estimation of amounts of chlorophyll-a and the detection of several other pigments. Thus, investigations of microflora in studies of succession, biofilms or grazing in intertidal habitats can be enhanced by field spectrometry.     

A [P]NAD-based method to identify and quantitate long residence time enoyl-acyl carrier protein reductase inhibitors

The classical methods for quantifying drug–target residence time (t_R) use loss or regain of enzyme activity in progress curve kinetic assays. However, such methods become imprecise at very long residence times, mitigating the use of alternative strategies. Using the NAD(P)H-dependent FabI enoyl-acyl carrier protein (enoyl-ACP) reductase as a model system, we developed a Penefsky column-based method for direct measurement of t_R, where the off-rate of the drug was determined with radiolabeled [adenylate-³²P]NAD(P⁺) cofactor. In total, 23 FabI inhibitors were analyzed, and a mathematical model was used to estimate limits to the t_R values of each inhibitor based on percentage drug–target complex recovery following gel filtration. In general, this method showed good agreement with the classical steady-state kinetic methods for compounds with t_R values of 10 to 100 min. In addition, we were able to identify seven long t_R inhibitors (100–1500 min) and to accurately determine their t_R values. The method was then used to measure t_R as a function of temperature, an analysis not previously possible using the standard kinetic approach due to decreased NAD(P)H stability at elevated temperatures. In general, a 4-fold difference in t_R was observed when the temperature was increased from 25 to 37 °C.     

Biosorption of food dyes onto Spirulina platensis nanoparticles: equilibrium isotherm and thermodynamic analysis

The biosorption of food dyes FD&C red no. 40 and acid blue 9 onto Spirulina platensis nanoparticles was studied at different conditions of pH and temperature. Four isotherm models were used to evaluate the biosorption equilibrium and the thermodynamic parameters were estimated. Infra red analysis (FT-IR) and energy dispersive X-ray spectroscopy (EDS) were used to verify the biosorption behavior. The maximum biosorption capacities of FD&C red no. 40 and acid blue 9 were found at pH 4 and 298 K, and the values were 468.7 mg g⁻¹ and 1619.4 mg g⁻¹, respectively. The Sips model was more adequate to fit the equilibrium experimental data (R² > 0.99 and ARE < 5%). Thermodynamic study showed that the biosorption was exothermic, spontaneous and favorable. FT-IR and EDS analysis suggested that at pH 4 and 298 K, the biosorption of both dyes onto nanoparticles occurred by chemisorption.     

Application of vibrational spectroscopy in the quality assessment of Buchu oil obtained from two commercially important Agathosma species (Rutaceae)

Quality assessment of natural raw materials and derived consumer products is often done using conventional analytical techniques such as liquid and gas chromatography which are expensive and time consuming. This paper reports on the use of vibrational spectroscopy techniques as possible alternatives for the rapid and inexpensive assessment of the quality of ‘buchu oil’ obtained from two South African species; Agathosma betulina and Agathosma crenulata belonging to the Rutaceae family. Samples of A. betulina (55) and A. crenulata (16) were collected from different natural localities and cultivation sites in South Africa. The essential oil was obtained by hydrodistillation and scanned on Near infrared (NIR), mid infrared (MIR) and Raman spectrometers. The spectral data obtained was processed using chemometric techniques and orthogonal partial least squares discriminant analysis (OPLS-DA) was used to clearly differentiate between A. betulina and A. crenulata. The OPLS-DA technique also proved to be a useful tool to identify wave regions that contain biomarkers (peaks) that contributed to the separation of the two species. The three spectroscopy techniques were also evaluated for their ability to accurately predict the percentage composition of seven major compounds that occur in A. betulina ‘buchu’ oil. Using GC–MS reference data, calibration models were developed for the MIR, NIR and Raman spectral data to predict/profile the major compounds in ‘buchu oil’. A comparison of the three spectroscopy techniques showed that MIR together with PLS algorithms produced the best model (R²X = 0.96; R²Y = 0.88 and Q²Ycum = 0.85) for the quantification of six of the seven major oil constituents. The MIR model showed high predictive power for pseudo-diosphenol (R² = 0.97), isomenthone (R² = 0.97), menthone (R² = 0.90), limonene (R² = 0.91), pulegone (R² = 0.96) and diosphenol (R² = 0.85). These results illustrate the potential of MIR spectroscopy as a rapid and inexpensive alternative to predict the major compounds in buchu oil.     

Linking Ventilation Heterogeneity Quantified via Hyperpolarized 3He MRI to Dynamic Lung Mechanics and Airway Hyperresponsiveness

Advancements in hyperpolarized helium-3 MRI (HP ³He-MRI) have introduced the ability to render and quantify ventilation patterns throughout the anatomic regions of the lung. The goal of this study was to establish how ventilation heterogeneity relates to the dynamic changes in mechanical lung function and airway hyperresponsiveness in asthmatic subjects. In four healthy and nine mild-to-moderate asthmatic subjects, we measured dynamic lung resistance and lung elastance from 0.1 to 8 Hz via a broadband ventilation waveform technique. We quantified ventilation heterogeneity using a recently developed coefficient of variation method from HP ³He-MRI imaging. Dynamic lung mechanics and imaging were performed at baseline, post-challenge, and after a series of five deep inspirations. AHR was measured via the concentration of agonist that elicits a 20% decrease in the subject’s forced expiratory volume in one second compared to baseline (PC₂₀) dose. The ventilation coefficient of variation was correlated to low-frequency lung resistance (R = 0.647, P < 0.0001), the difference between high and low frequency lung resistance (R = 0.668, P < 0.0001), and low-frequency lung elastance (R = 0.547, P = 0.0003). In asthmatic subjects with PC₂₀ values <25 mg/mL, the coefficient of variation at baseline exhibited a strong negative trend (R = -0.798, P = 0.02) to PC₂₀ dose. Our findings were consistent with the notion of peripheral rather than central involvement of ventilation heterogeneity. Also, the degree of AHR appears to be dependent on the degree to which baseline airway constriction creates baseline ventilation heterogeneity. HP ³He-MRI imaging may be a powerful predictor of the degree of AHR and in tracking the efficacy of therapy.     

Leaching behavior of iron from simulated landfills with different operational modes

The aim of the present study was to investigate the leaching behavior of iron from simulated landfills with different operation modes, with an emphasis on the variation of iron in different oxidation state, ferrous Fe(II) and ferric Fe(III) percentage and the distribution of iron content in different landfill leachate fractions. The leaching behavior and accumulated amounts of iron leached out by leachate from conventional landfill (CL) and leachate recirculated landfill (RL) exhibited decidedly different trends except for the initial 28 days. In addition, the percentage of iron leached from CL and RL accounted 1.00% and 0.14% for the total amount in landfills, respectively. No correlations between iron and selected characteristics in leachate were found were observed in the two simulated landfills. Significant positive correlations between particulate bound iron and Fe(III) were found in the leachates from RL (R² = 0.748) and CL (R² = 0.833).     

Adsorptive features of acid-treated olive stones for drin pesticides: Equilibrium,kinetic and thermodynamic modeling studies

The adsorption behavior of drin pesticides from aqueous solution onto acid treated olive stones (ATOS) was investigated using stir bar sorptive extraction and gas chromatography coupled with mass spectroscopy. The effects of sorbent particle size, adsorbent dose, contact time, concentration of pesticide solution and temperature on the adsorption processes were systematically studied in batch shaking sorption experiments. Maximum removal efficiency (94.8%) was reached for aldrin (0.5 mg L⁻¹) using the fraction 63–100 μm of ATOS (solid/liquid ratio: 1 g L⁻¹). Experimental data were modeled by Langmuir, Freundlich and Dubinin–Radushkevich (D–R) isotherms. The Freundlich isotherm model (R² = 0.98–0.99) fitted the equilibrium data better than the Langmuir and D–R isotherm models, with low sum of error values (SE = 1.4–9.2%). The mean adsorption free energy derived from the D–R isotherm model (R² = 0.95–0.99) showed that the adsorption of drin pesticides was taken place by weak physical forces, such as van der Waals forces and hydrogen bonding. The calculated thermodynamic parameters, ΔH, ΔS and ΔG prove that drin pesticides adsorption on ATOS was feasible, spontaneous and exothermic under examined conditions. The pseudo first order, pseudo second order kinetic and the intra-particle diffusion models were used to describe the kinetic data and rate constants were evaluated.     

Studies on the regioselectivity and kinetics of the action of trypsin on proinsulin and its derivatives using mass spectrometry

Human M-proinsulin was cleaved by trypsin at the R³¹R³²–E³³ and K⁶⁴R⁶⁵–G⁶⁶ bonds (B/C and C/A junctions), showing the same cleavage specificity as exhibited by prohormone convertases 1 and 2 respectively. Buffalo/bovine M-proinsulin was also cleaved by trypsin at the K⁵⁹R⁶⁰–G⁶¹ bond but at the B/C junction cleavage occurred at the R³¹R³²–E³³ as well as the R³¹–R³²E³³ bond. Thus, the human isoform in the native state, with a 31 residue connecting C-peptide, seems to have a unique structure around the B/C and C/A junctions and cleavage at these sites is predominantly governed by the structure of the proinsulin itself. In the case of both the proinsulin species the cleavage at the B/C junction was preferred (65%) over that at the C/A junction (35%) supporting the earlier suggestion of the presence of some form of secondary structure at the C/A junction. Proinsulin and its derivatives, as natural substrates for trypsin, were used and mass spectrometric analysis showed that the k_cat./K_m values for the cleavage were most favourable for the scission of the bonds at the two junctions (1.02 ± 0.08 × 10⁵ s^− 1 M^− 1) and the cleavage of the K²⁹–T³⁰ bond of M-insulin-RR (1.3 ± 0.07 × 10⁵ s^− 1 M^− 1). However, the K²⁹–T³⁰ bond in M-insulin, insulin as well as M-proinsulin was shielded from attack by trypsin (k_cat./K_m values around 1000 s^− 1 M^− 1). Hence, as the biosynthetic path follows the sequence; proinsulin → insulin-RR → insulin, the K²⁹–T³⁰ bond becomes shielded, exposed then shielded again respectively.     

Effects of phase vector and history extension on prediction power of adaptive-network based fuzzy inference system (ANFIS) model for a real scale anaerobic wastewater treatment plant operating under unsteady state

A conceptual neural fuzzy model based on adaptive-network based fuzzy inference system, ANFIS, was proposed using available input on-line and off-line operational variables for a sugar factory anaerobic wastewater treatment plant operating under unsteady state to estimate the effluent chemical oxygen demand, COD. The predictive power of the developed model was improved as a new approach by adding the phase vector and the recent values of COD up to 5–10 days, longer than overall retention time of wastewater in the system. History of last 10 days for COD effluent with two-valued phase vector in the input variable matrix including all parameters had more predictive power. History of 7 days with two-valued phase vector in the matrix comprised of only on-line variables yielded fairly well estimations. The developed ANFIS model with phase vector and history extension has been able to adequately represent the behavior of the treatment system.     

Understanding DP receptor antagonism using a CoMSIA approach

A Comparative Molecular Similarity Indices Analysis (CoMSIA) was performed for 2,6-substituted-4-monosubstituted aminopyrimidine antagonists of prostaglandin D₂ receptor (DP). Both two-component (Q² = 0.63, R² = 0.82, SEE = 0.47 pIC₅₀) and three-component (Q² = 0.70, R² = 0.91, SEE = 0.36 pIC₅₀) CoMSIA models were established. Two hydrogen-bond acceptors with spatial separation of about 8 Å are shown as optimal for binding. A large hydrophobic center that separates the two acceptors confers to the potency of the 2,6-substituted-4-monosubstituted aminopyrimidine. The models were used to predict IC₅₀ values for compounds which had functional groups different from those in the training set.     

A spectrophotometric transesterification-based assay for lipases in organic solvent

A new method to evaluate lipase activities in nonaqueous conditions using vinyl ester absorbance at ultraviolet (UV) wavelengths is described. The model reaction is the transesterification between vinyl stearate and pentanol in hexane at 30 °C or in decane at 50 °C. The conversion of vinyl stearate into pentyl stearate is monitored through decreasing UV absorbance at 200 nm. Six commercial lipases were tested with this method, and results were compared with gas chromatography (GC) quantification and a classical spectrophotometric method using p-nitrophenyl palmitate. Results from the new spectrophotometric assay are similar both to results from GC quantification (R² = 0.999) and to results from p-nitrophenyl palmitate (R² = 0.989). The proposed method is able to evaluate both high activity from immobilized lipases such as immobilized Candida antarctica B lipase (3060 ± 350 U g⁻¹) and low activity from crude enzymatic extracts such as Carica papaya dried latex (0.1 ± 0.04 U g⁻¹). The method has also been used to measure kinetic parameters of C. antarctica B lipase for vinyl stearate and the correlation between its synthesis activity and its concentration. The method has also proved to be effective in studying the acyl selectivity of a lipase by comparing its activities with increasing chain lengths of vinyl esters.     

Debranched cassava starch crystallinity determination by Raman spectroscopy: Correlation of features in Raman spectra with X-ray diffraction and C CP/MAS NMR spectroscopy

Because starch crystallinity influences the physical, mechanical, and technological aspects of numerous starch-based products during production and storage, rapid techniques for its assessment are vital. Samples of different levels of crystallinity were obtained by debranching gelatinized cassava starch, followed by subjection to various hydrothermal treatments. The recrystallized products were further subjected to partial hydrolysis with a mixture of α-amylase and glucoamylase prior to freeze-drying. Crystallinities were determined using X-ray diffraction (XRD) and ¹³C CP/MAS NMR spectroscopy, and correlated with FT-Raman spectra features. XRD crystallinities ranged between 0 and 58%, and agreed with crystalline-phase fractions (R² = 0.99) derived from the respective ¹³C CP/MAS NMR spectra. A strong linear correlation was found between crystallinities and integrated areas of the skeletal mode Raman band at 480 cm⁻¹ (R² = 0.99). With appropriate calibration, FT-Raman spectroscopy is a promising tool for rapid determination of starch crystallinity.     

Effects of Acidification, Sodium Chloride, and Moisture Levels on Wheat Dough: II. Modeling of Bread Texture and Staling Kinetics

The effect of three experimental factors pH (addition of lactic acid and sodium hydroxide), water, and sodium chloride (NaCl) addition on wheat bread making performance (volume, baking loss, crumb firmness, crumb grain features) and the crumb staling during storage was studied. The staling behavior was modeled with the Avrami equation and with linear regressions. All bread quality parameters were reliably modeled using response surface methodology (up to R ² ?=?0.97). The crumb staling behavior was better described by a linear regression than by the rate constant k of the Avrami equation (R ² ?=?0.87 / R ² ?=?0.36). The highest volume can be achieved with the experimental values pH 5.39, 0.41?g NaCl 100?g^?1 flour and 68.7?g water 100?g^?1 flour. Correlation analysis revealed significant linear dependency of dough rheology (complex shear modulus) on the firmness of the bread crumb (r?=?0.73) and staling attributes (r????0.73). Dough microstructural properties showed significant but low correlation with bread making performance attributes.     

Estimating Arundo donax shoot biomass

We developed an equation for estimating Arundo donax shoot dry weight from shoot length. The equation, shoot dry weight (g) = 14.254 (standard error = ±0.275) × shoot height² (m), was as effective at explaining a high proportion of total variation in shoot dry weight (R² = 0.90) as more complicated equations containing additional morphometric parameters. Tested against two independent datasets, the equation provided accurate estimates of dry weight for shoots ranging from 0.3 to 7.06 m height (dataset 1, P < 0.0001, R² = 0.87, N = 29; dataset 2, P < 0.0001, R² = 0.82, N = 192). The equation provides aboveground biomass estimates from stem counts and heights more rapidly than harvest methods.     

Performance of durian shell waste as high capacity biosorbent for Cr(VI) removal from synthetic wastewater

The capability of durian shell waste biomass as a novel and potential biosorbent for Cr(VI) removal from synthetic wastewater was studied. The adsorption study was performed in batch mode at different temperatures and pH. Langmuir and Freundlich isotherm models fit the equilibrium data very well (R² > 0.99). The maximum biosorption capacity of durian shell was 117 mg/g. On modeling its kinetic experimental data, the pseudo-first order prevails over the pseudo-second order model. Thermodynamically, the characteristic of Cr-biosorption process onto durian shell surface was spontaneous, irreversible and endothermic.     

Prediction of moisture, calorific value, ash and carbon content of two dedicated bioenergy crops using near-infrared spectroscopy

The potential of near infrared spectroscopy in conjunction with partial least squares regression to predict Miscanthus xgiganteus and short rotation coppice willow quality indices was examined. Moisture, calorific value, ash and carbon content were predicted with a root mean square error of cross validation of 0.90% (R² = 0.99), 0.13 MJ/kg (R² = 0.99), 0.42% (R² = 0.58), and 0.57% (R² = 0.88), respectively. The moisture and calorific value prediction models had excellent accuracy while the carbon and ash models were fair and poor, respectively. The results indicate that near infrared spectroscopy has the potential to predict quality indices of dedicated energy crops, however the models must be further validated on a wider range of samples prior to implementation. The utilization of such models would assist in the optimal use of the feedstock based on its biomass properties.