A new approach in adsorption modeling using random forest regression, Bayesian multiple linear regression, and multiple linear regression: 2,4-D adsorption by a green adsorbent.

The mathematical model's usage in water quality prediction has received more interest recently. In this research, the potential of random forest regression (RFR), Bayesian multiple linear regression (BMLR), and multiple linear regression (MLR) were examined to predict the amount of 2,4-dichlorophenoxy acetic acid (2,4-D) elimination by rice husk biochar from synthetic wastewater, using five input operating parameters including initial 2,4-D concentration, adsorbent dosage, pH, reaction time, and temperature. The equilibrium and kinetic adsorption data were fitted best to the Freundlich and pseudo-first-order models. The thermodynamic parameters also indicated the exothermic and spontaneous nature of adsorption. The modeling results indicated an R2 of 0.994, 0.992, and 0.945 and RMSE of 1.92, 6.17, and 2.10 for the relationship between the model-estimated and measured values of 2,4-D removal for RFR, BMLR, and MLR, respectively. Overall performances indicated more proficiency of RFR than the BMLR and MLR models due to its capability in capturing the non-linear relationships between input data and their associated removal capacities. The sensitivity analysis demonstrated that the 2,4-D adsorption process is more sensitive to initial 2,4-D concentration and adsorbent dosage. Thus, it is possible to permanently monitor waters more cost-effectively with the suggested model application.

Temporal and spatial assessment of groundwater contamination with nitrate by nitrate pollution index (NPI) and GIS (case study: Fasarud Plain, southern Iran).

Groundwater resources in arid and semi-arid regions are the most and sometimes the only water resource used for agricultural, industrial, and urban water supply. Irregular and immense application of nitrogen fertilizers in the lands under cultivation and nitrate leakage from livestock farming have affected the groundwater quality. In such areas, nitrate is one of the main pollutants in the groundwater. In this study, the temporal and spatial trend of nitrate contamination in 31 wells in Fasarud Plain, southern Iran, from April 2017 to March 2018 were assessed. To survey the geochemical quality of the plain, a geographic information system to expand geographic location maps and spatial distribution maps of nitrate concentration and nitrate pollution index (NPI) was applied. Nitrate concentrations ranged between 2.43 and 96 mg L-1. Results indicated that nitrate temporal trend was increased significantly in most of the wells, and the spatial trend of area percentage of nitrate class 3 (not permissible limit of more than 50 mg L-1) was positive. The greatest quantities of this variable in groundwater samples detected in northern, western, and eastern areas of the plain have a direct relation with the fertilization of agricultural lands. Generally, by ending the irrigation season, nitrate concentration and NPI reduced temporally in the samples and the percentage area of nitrate class 3 decreased gradually, again beginning the agricultural season, the NPI, nitrate concentration, and percentage area of nitrate class 3 began to increase. Overall, the change of nitrate concentration and distribution of agricultural regions have illustrated that nitrate originated from nitrogenous inorganic fertilizers applied within irrigation periods.

Optimization of Hg(II) adsorption on bio-apatite based materials using CCD-RSM design: characterization and mechanism studies.

Bio-apatite based materials were prepared from bovine bone wastes (BBW) by thermal treatments using a direct flame (BBS) and annealing at 500-1,100 °C (BB500-BB1100). These low-crystalline materials were characterized by means of SEM, XRD, FTIR, TG, and pHPZC and were used for the adsorption of Hg(II) ions. A CCD-RSM design was used to optimize and analyze independent variables consisting of initial mercury concentration (10-100 mg L-1), pH (2-9), adsorbent mass (0.1-0.5 g), temperature (20-60 °C), and contact time (15-120 min). The results indicated that the order of the mercury uptakes for bio-apatite based adsorbents was BB500 > BB600 > BB800 > BB1100 > BBS > BBW. The dissolution-precipitation and ion-exchange reaction are the two dominant mechanisms for the removal of Hg(II) ions at low and high pH values, respectively. The CCD-RSM predicted maximum mercury adsorption of 99.99% under the optimal conditions of 51.31 mg L-1, 0.44 g, 6.5, 67.5 min, and 50 °C for initial mercury concentration, adsorbent mass, pH, contact time, and temperature, respectively. The findings of the present study revealed that the bio-apatite based materials, particularly BB500, are suitable and versatile adsorbents for the treatment of mercury-containing wastewater.

Adsorption of 2,4-dichlorophenoxyacetic acid using rice husk biochar, granular activated carbon, and multi-walled carbon nanotubes in a fixed bed column system.

The 2,4-dichlorophenoxyacetic acid (2,4-D) herbicide, as an aromatic hydrocarbon, is a dangerous and toxic organic pollutant among the agricultural pesticides. In this research, the performance of the biochar made from rice husk (BRH), granular activated carbon (GAC), and multi-walled carbon nanotubes (MWCNTs) was investigated for adsorption of 2,4-D in a fixed-bed column system. The influence of pH (2, 5, 7, 9), flow rate (0.5, 1, 1.5 mL min-1), bed depth (3, 6, 9 cm), and influent 2,4-D concentration (50, 100, 150, 300 mg L-1) on the adsorption process was evaluated. The resulting breakthrough curves indicated that the higher removal efficiency of 2,4-D took place at the lower flow rate, lower influent 2,4-D concentration, higher bed depth, and lower pH. While in most cases the removal ability of GAC was better than other adsorbents, generally, this study confirmed that the BRH, as a cheap and sustainable material, can be a viable alternative to GAC and MWCNTs for remediation and treatment scenarios, particularly in developing countries.

Modeling caffeine adsorption by multi-walled carbon nanotubes using multiple polynomial regression with interaction effects.

Permanent monitoring of environmental issues demands efficient, accurate, and user-friendly pollutant prediction methods, particularly from operating variables. In this research, the efficiency of multiple polynomial regression in predicting the adsorption capacity of caffeine (q) from an experimental batch mode by multi-walled carbon nanotubes (MWCNTs) was investigated. The MWCNTs were specified by scanning electron microscope, Fourier transform infrared spectroscopy and point of zero charge. The results confirmed that the MWCNTs have a high capacity to uptake caffeine from the wastewater. Five parameters including pH, reaction time (t), adsorbent mass (M), temperature (T) and initial pollutant concentration (C) were selected as input model data and q as the output. The results indicated that multiple polynomial regression which employed C, M and t was the best model (normalized root mean square error = 0.0916 and R2 = 0.996). The sensitivity analysis indicated that the predicted q is more sensitive to the C, followed by M, and t. The results indicated that the pH and temperature have no significant effect on the adsorption capacity of caffeine in batch mode experiments. The results displayed that estimations are slightly overestimated. This study demonstrated that the multiple polynomial regression could be an accurate and faster alternative to available difficult and time-consuming models for q prediction.

Refractive index degeneration in older lenses: A potential functional correlate to structural changes that underlie cataract formation.

A major structure/function relationship in the eye lens is that between the constituent proteins, the crystallins and the optical property of refractive index. Structural breakdown that leads to cataract has been investigated in a number of studies; the concomitant changes in the optics, namely increases in light attenuation have also been well documented. Specific changes in the refractive index gradient that cause such attenuation, however, are not well studied because previous methods of measuring refractive index require transparent samples. The X-ray Talbot interferometric method using synchrotron radiation allows for measurement of fine changes in refractive index through lenses with opacities. The findings of this study on older human lenses show disruptions to the refractive index gradient and in the refractive index contours. These disruptions are linked to location in the lens and occur in polar regions, along or close to the equatorial plane or in lamellar-like formations. The disruptions that are seen in the polar regions manifest branching formations that alter with progression through the lens with some similarity to lens sutures. This study shows how the refractive index gradient, which is needed to maintain image quality of the eye, may be disturbed and that this can occur in a number of distinct ways. These findings offer insight into functional changes to a major optical parameter in older lenses. Further studies are needed to elicit how these may be related to structural degenerations reported in the literature.

Geometry-invariant GRIN lens: finite ray tracing.

The refractive index distribution of the geometry-invariant gradient refractive index lens (GIGL) model is derived as a function of Cartesian coordinates. The adjustable external geometry of the GIGL model aims to mimic the shape of the human and animal crystalline lens. The refractive index distribution is based on an adjustable power-law profile, which provides additional flexibility of the model. An analytical method for layer-by-layer finite ray tracing through the GIGL model is developed and used to calculate aberrations of the GIGL model. The result of the finite ray tracing aberrations of the GIGL model are compared to those obtained with paraxial ray tracing. The derived analytical expression for the refractive index distribution can be employed in the reconstruction processes of the eye using the conventional ray tracing methods. The layer-by-layer finite ray tracing approach would be an asset in ray tracing through a modified GIGL model, where the refractive index distribution cannot be described analytically. Using the layer-by-layer finite ray-tracing method, the potential of the GIGL model in representing continuous as well as shell-like layered structures is illustrated and the results for both cases are presented and analysed.

Adjustable internal structure for reconstructing gradient index profile of crystalline lens.

Employing advanced technologies in studying the crystalline lens of the eye has improved our understanding of the refractive index gradient of the lens. Reconstructing and studying such a complex structure requires models with adaptable internal geometry that can be altered to simulate geometrical and optical changes of the lens with aging. In this Letter, we introduce an optically well-defined, geometrical structure for modeling the gradient refractive index profile of the crystalline lens with the advantage of an adjustable internal structure that is not available with existing models. The refractive index profile assigned to this rotationally symmetric geometry is calculated numerically, yet it is shown that this does not limit the model. The study provides a basis for developing lens models with sophisticated external and internal structures without the need for analytical solutions to calculate refractive index profiles.

Optical properties of the lens: an explanation for the zones of discontinuity.

The structural basis of zones of discontinuity in the living human eye lens has not been elucidated, and there is no conclusive explanation for what relevance they may have to the structure and function of the lens. Newly developed synchrotron radiation based X-ray Talbot interferometry has enabled the detection of subtle fluctuations in the human eye lens which, when used in mathematical modelling to simulate reflected and scattered light, can recreate the image of the lens seen in the living human eye. The results of this study show that the zones of discontinuity may be caused by subtle fluctuations in the refractive index gradient as well as from random scattering in the central regions. As the refractive index contours are created by cell layers with progressively varying protein concentrations, the zones are linked to growth and will contain information about ageing and development. The index gradient is important for image quality and fluctuations in this gradient may add to quality optimisation and serve as models for designs of new generation implant lenses.

The achromatic design of an atmospheric dispersion corrector for extremely large telescopes.

For off-zenith observations with ground-based astronomical telescopes, the effect of atmospheric dispersion relative to diffraction on image size increases with telescope diameter. Correction of atmospheric dispersion in extremely large telescopes (ELTs) might become critical. A common solution for ELTs is to use linear atmospheric dispersion correctors (ADCs). In spite of their simplicity, the intrinsic chromatic aberrations of linear ADCs could render diffraction-limited imaging impossible when used in a fast focus. The chromatic problems of the linear ADC in ELTs can be resolved by replacing the linear ADC by the achromatic ADC designs presented here, which provide diffraction-limited image quality and offer several opto-mechanical advantages over linear ADCs.

All-spherical catadioptric telescope design for wide-field imaging.

The current trend in building medium-size telescopes for wide-field imaging is to use a Ritchey-Chrétien (RC) design with a multilens corrector near the focus. Our goal is to find a cost-effective alternative design to the RC system for seeing-limited observations. We present an f/4.5 all-spherical catadioptric system with a 1.5° field of view. The system consists of a 0.8 m spherical primary and 0.4 m flat secondary mirror combined with a meniscus lens and followed by a three-lens field corrector. The optical performance is comparable to an equivalent f/4.5 RC system. We conclude that, for telescopes with apertures up to 2 m, the catadioptric design is a good alternative to the RC system.

A response surface methodology for optimization of 2,4-dichlorophenoxyacetic acid removal from synthetic and drainage water: a comparative study.

The potential of a granular activated carbon (GAC), a rice husk biochar (BRH), and multi-walled carbon nanotubes (MWCNTs) for removing 2,4-dichlorophenoxyacetic acid (2,4-D) from simulated wastewater and drainage water has been evaluated. In this regard, a response surface methodology (RSM) with a central composite design (CCD) (CCD-RSM design) was used to optimize the removal of 2,4-D from simulated wastewater under different operational parameters. The maximum adsorption capacities followed the order GAC > BRH > MWCNTs, whereas the equilibrium time increased in the order MWCNTs < GAC < BRH. In the case of GAC and BRH, the 2,4-D removal percentage increased significantly upon increasing the adsorbent dosage and temperature and decreased upon increasing the initial 2,4-D concentration and pH. The results showed that the contact time and temperature were not important as regards the adsorption efficiency of 2,4-D by MWCNTs, whereas rapid removal of 2,4-D from simulated wastewater was achieved within the first 5 min of contact with the MWCNTs. The results confirmed that the Freundlich isotherm model with the highest coefficient of determination (R2) and the lowest standard error of the estimate (SEE) satisfactorily fitted the 2,4-D experimental data. In addition, successful usage of the three adsorbents investigated was observed for removal of 2,4-D from drainage water from an agricultural drainage system. An economic analysis with a rate of return (ROR) method indicated that BRH could be used as an eco-friendly, low-cost, versatile, and high adsorption capacity alternative to GAC and MWCNTs for the removal of 2,4-D.

Alteration in refractive index profile during accommodation based on mechanical modelling.

The lens of the eye has a gradient refractive index (GRIN). Ocular accommodation, which alters the shape of the lens in response to visual demand, causes a redistribution of the internal structure of the lens leading to a change in the GRIN profile. The nature of this redistribution and the consequence of change in the GRIN profile are not understood. A modelling approach that considers how the GRIN profile may change with accommodation needs to take into account optical and mechanical parameters and be cognisant of individual variability in the shape and size of lenses. This study models the normalised axial GRIN profile during accommodation using reduced modelling and incorporating finite element analysis to connect inhomogenous mechanical characteristics of the lens to optical performance. The results show that simulated stretching changes the length of the plateau but does not alter the cortical gradient, which supports clinical findings. There is a very small change to the accommodated and non-accommodated profiles when normalised, yet this yields measurable changes in aberrations with around 11% and almost 13% difference in spherical aberration and astigmatism respectively. The results can be used in reconstruction of the refractive index and for investigating gradual changes with age.

The eye lens: age-related trends and individual variations in refractive index and shape parameters.

The eye lens grows throughout life by cell accrual on its surface and can change shape to adjust the focussing power of the eye. Varying concentrations of proteins in successive cell layers create a refractive index gradient. The continued growth of the lens and age-related changes in proteins render it less able to alter shape with loss of capacity by the end of the sixth decade of life. Growth and protein ageing alter the refractive index but as accurate measurement of this parameter is difficult, the nature of such alterations remains uncertain. The most accurate method to date for measuring refractive index in intact lenses has been developed at the SPring-8 synchrotron. The technique, based on Talbot interferometry, has an X-ray source and was used to measure refractive index in sixty-six human lenses, aged from 16 to 91 years. Height and width were measured for forty-five lenses. Refractive index contours show decentration in some older lenses but individual variations mask age-related trends. Refractive index profiles along the optic axis have relatively flat central sections with distinct micro-fluctuations and a steep gradient in the cortex but do not exhibit an age-related trend. The refractive index profiles in the equatorial aspect show statistical significance with age, particularly for lenses below the age of sixty that had capacity to alter shape in vivo. The maximum refractive index in the lens centre decreases slightly with age with considerable scatter in the data and there are age-related variations in sagittal thickness and equatorial height.

An analytical method for predicting the geometrical and optical properties of the human lens under accommodation.

We present an analytical method to describe the accommodative changes in the human crystalline lens. The method is based on the geometry-invariant lens model, in which the gradient-index (GRIN) iso-indicial contours are coupled to the external shape. This feature ensures that any given number of iso-indicial contours does not change with accommodation, which preserves the optical integrity of the GRIN structure. The coupling also enables us to define the GRIN structure if the radii and asphericities of the external lens surfaces are known. As an example, the accommodative changes in lenticular radii and central thickness were taken from the literature, while the asphericities of the external surfaces were derived analytically by adhering to the basic physical conditions of constant lens volume and its axial position. The resulting changes in lens geometry are consistent with experimental data, and the optical properties are in line with expected values for optical power and spherical aberration. The aim of the paper is to provide an anatomically and optically accurate lens model that is valid for 3 mm pupils and can be used as a new tool for better understanding of accommodation.

Interfacial chemistry in Al/CuO reactive nanomaterial and its role in exothermic reaction.

Interface layers between reactive and energetic materials in nanolaminates or nanoenergetic materials are believed to play a crucial role in the properties of nanoenergetic systems. Typically, in the case of Metastable Interstitial Composite nanolaminates, the interface layer between the metal and oxide controls the onset reaction temperature, reaction kinetics, and stability at low temperature. So far, the formation of these interfacial layers is not well understood for lack of in situ characterization, leading to a poor control of important properties. We have combined in situ infrared spectroscopy and ex situ X-ray photoelectron spectroscopy, differential scanning calorimetry, and high resolution transmission electron microscopy, in conjunction with first-principles calculations to identify the stable configurations that can occur at the interface and determine the kinetic barriers for their formation. We find that (i) an interface layer formed during physical deposition of aluminum is composed of a mixture of Cu, O, and Al through Al penetration into CuO and constitutes a poor diffusion barrier (i.e., with spurious exothermic reactions at lower temperature), and in contrast, (ii) atomic layer deposition (ALD) of alumina layers using trimethylaluminum (TMA) produces a conformal coating that effectively prevents Al diffusion even for ultrathin layer thicknesses (∼0.5 nm), resulting in better stability at low temperature and reduced reactivity. Importantly, the initial reaction of TMA with CuO leads to the extraction of oxygen from CuO to form an amorphous interfacial layer that is an important component for superior protection properties of the interface and is responsible for the high system stability. Thus, while Al e-beam evaporation and ALD growth of an alumina layer on CuO both lead to CuO reduction, the mechanism for oxygen removal is different, directly affecting the resistance to Al diffusion. This work reveals that it is the nature of the monolayer interface between CuO and alumina/Al rather than the thickness of the alumina layer that controls the kinetics of Al diffusion, underscoring the importance of the chemical bonding at the interface in these energetic materials.

Geometry-invariant GRIN lens: iso-dispersive contours.

A dispersive model of a gradient refractive index (GRIN) lens is introduced based on the idea of iso-dispersive contours. These contours have constant Abbe number and their shape is related to iso-indicial contours of the monochromatic geometry-invariant GRIN lens (GIGL) model. The chromatic GIGL model predicts the dispersion throughout the GRIN structure by using the dispersion curves of the surface and the center of the lens. The analytical approach for paraxial ray tracing and the monochromatic aberration calculations used in the GIGL model is employed here to derive closed-form expressions for the axial and lateral color coefficients of the lens. Expressions for equivalent refractive index and the equivalent Abbe number of the homogeneous equivalent lens are also presented and new aspects of the chromatic aberration change due to aging are discussed. The key derivations and explanations of the GRIN lens optical properties are accompanied with numerical examples for the human and animal eye GRIN lenses.

Geometry-invariant gradient refractive index lens: analytical ray tracing.

A new class of gradient refractive index (GRIN) lens is introduced and analyzed. The interior iso-indicial contours mimic the external shape of the lens, which leads to an invariant geometry of the GRIN structure. The lens model employs a conventional surface representation using a coincoid of revolution with a higher-order aspheric term. This model has a unique feature, namely, it allows analytical paraxial ray tracing. The height and the angle of an arbitrary incident ray can be found inside the lens in a closed-form expression, which is used to calculate the main optical characteristics of the lens, including the optical power and third-order monochromatic aberration coefficients. Moreover, due to strong coupling of the external surface shape to the GRIN structure, the proposed GRIN lens is well suited for studying accommodation mechanism in the eye. To show the power of the model, several examples are given emphasizing the usefulness of the analytical solution. The presented geometry-invariant GRIN lens can be used for modeling and reconstructing the crystalline lens of the human eye and other types of eyes featuring a GRIN lens.

Seroprevalence of anti-Helicobacter pylori and anti-CagA antibodies among healthy children according to age, sex, ABO blood groups and Rh status in south-east of Iran.

OBJECTIVE: The aim of this study was to evaluate the seroprevalence of anti-H. pylori and anti-CagA antibodies in healthy children and to investigate those relation with age, sex, ABO blood groups and Rh status. METHODS: Serum samples from 386 children (187 males; 199 females), aged 1-15 years were tested for the presence of antibody to H. pylori and its virulence factor (CagA) by use of ELISA. ABO blood grouping were also done by hemagglutination test . RESULTS: The overall seroprevalence of H. pylori infection was 46.6%. The prevalence of anti-H. pylori antibody was significantly (p<0.05) higher in males (51.9%) compare to females (41.7%). The prevalence of anti-CagA antibody in infected children was 72.8%. Although, the prevalence of anti-CagA antibody was higher in males (78.4%) compared to females (66.3%), but the difference was not statistically significant (p=0.07). In age subgroups of 1-5 years, 6-10 years and 11-15 years, the prevalence of anti-H. pylori was 37.6%, 46.9% and 54.9% and regarding infected-children the prevalence and the mean titer of anti-CagA antibody were 63.8%, 75.94 Uarb/ml; 75%, 63.32 Uarb/ml and 79.45%, 57.11 Uarb/ml; respectively. The seroprevalence of anti-H. pylori and anti-CagA (in infected children) were 53% and 77.3% in blood group A, 50.5% and 64.7% in blood group B, 44.4% and 62.5% in blood group AB, 41.6 % and 76.8% in blood group O, 45.9% and 73% in Rh(+) phenotype and 54.84% and 70.6% in Rh(-) phenotype, respectively. The prevalence of both antibodies did not significantly differ between ABO blood groups or Rh status. However, within blood group A, the prevalence of anti-H. pylori and anti-CagA was significantly higher in males compare to females (p<0.05). CONCLUSION: These results showed that almost half of the children acquire H. pylori infection. Anti-CagA antibody are also common in the children. The seroprevalence of anti-H. pylori and anti-CagA antibodies were higher in males and increased with age. However, the mean titer of anti-CagA antibodies decreased with age, inversely. ABO blood groups may partly influence the prevalence of H. pylori infection, especially in male gender.