Theoretical and experimental studies on sulfasalazine interactions with poly (lactic acid): Impact of hydrogen bonding and charge transfer interactions on molecular structure, electronic and optical properties.

The interaction between sulfasalazine (SSZ) through different functional groups and poly (lactic acid) (PLA) in the chloroform phase was investigated in this study using density functional theory (DFT) and time-dependent density functional theory (TDDFT) methods. The binding energy and thermodynamic parameters show that the hydrogen double bond interaction between SSZ and PLA in state I (-0.71 eV) is stronger than in states II (-0.64 eV) and III (-0.51 eV). The SSZ and PLA interaction results in an enhanced dipole moment, greater solubility, and more negative values for Gibbs free energy (ΔGsolv) and energy gap (Eg). Considerable changes in absorption peaks of SSZ and PLA indicate surface adsorption of the drug (SSZ) into the carrier (PLA) in UV-Vis spectra. Theoretical UV-Vis analysis demonstrates SSZ interaction with PLA happens in the ultraviolet region with a maximum absorption peak at 380 nm, which is close to experimental UV-Vis analysis. The experimental spectra showed minimal variations in the maximum absorption wavelength, with respect to theoretical calculations. The presence of SSZ was found to cause a modification in the structure of PLA, as evidenced by both experimental and theoretical Infrared (IR) spectra.

Determination of bupropion by off-line coupling Fe3O4@CuO&GO nanocomposite and ion mobility spectrometry with application to biological samples.

In this study, an off-line coupling of dispersive solid-phase extraction (DSPE) and ion mobility spectrometry (IMS) was introduced to extract and determine bupropion (BUP). A magnetic nanocomposite adsorbent (Fe3O4@CuO&GO) was fabricated by combining graphene oxide (GO) sheets with Fe3O4 and CuO through coprecipitation method. The synthesized adsorbent was characterized and analyzed using the analytical techniques. The effect of extraction parameters including desorption solvent (type and volume), pH, adsorbent amount, contact time, temperature, and the volume of analyte solution on the extraction efficiency was investigated and optimized. The operational parameters of IMS method were also investigated. Under the optimum conditions (DSPE-IMS), the proposed method provided a linear range 4.0-24.0 ng for BUP with a determination coefficient R2 ≥ 0.98. LOD and LOQ values were 0.7 and 2.2 ng for BUP. The repeatability of proposed method was evaluated and reported as relative standard deviation (RSD% ≤ 5.5). The developed method was applied to determine BUP in different biological samples, in which satisfactory results were obtained (93.0-98.0%).

Fabrication of a novel sensor based on Cu quantum dot and SH-SiO2 nanoparticles supported on copper-based metal organic framework (Cu QD-SH-SiO2@Cu-MOF) and its application for the simultaneous determination of norepinephrine, piroxicam and epinephrine.

In this research, a novel electrochemical sensor with excellent sensitivity was fabricated based on Cu quantum dot (Cu QD) and SH-SiO2 nanoparticles immobilized on copper-metal-organic frameworks (Cu-MOFs) for determining piroxicam and simultaneous determination of norepinephrine, piroxicam and epinephrine. The nanoparticles were synthesized and characterized using FT-IR, EDX, FESEM, TEM and BET, and were subsequently used to modify carbon paste electrode. Cu QD-SH-SiO2@Cu-MOF for electrode modification possesses a distinctive structure and a high conductivity that raises the electron transfer rate and enhances the performance of electrochemical sensors. Square wave voltammetry was applied to investigate the redox properties of Cu QD-SH-SiO2@Cu-MOF/CPE, voltammograms showed three distinct anodic peaks at 0.41, 0.62 and 1.06 V in the presence of norepinephrine, piroxicam, and epinephrine. Various experimental parameters including the type and pH of electrolyte and scan rate were investigated. The calibration graph was obtained over the range 0.2-34285.0 µM including three linear segments. Also, the limit of detection was calculated as 0.05 µM of piroxicam. The introduced sensor was satisfactorily utilized for electrochemical determination of norepinephrine, piroxicam, and epinephrine in real samples. The obtained results using the introduced sensor were validated by high-performance liquid chromatography and the statistical tests confirmed the good agreement of them.

Simultaneous reduction and adsorption of arsenite anions by green synthesis of iron nanoparticles using pomegranate peel extract.

PURPOSE: Arsenic is a toxic metalloid that is present in the environment as arsenate and arsenite anions. Exposure to arsenic anions caused skin problems, degenerative diseases, kidney, liver, and lung cancer. The synthesized iron nanoparticles (NPs) were examined as a green low-cost adsorbent for the removal of arsenite anions from aqueous solution via batch adsorption procedure. METHODS: Iron NPs were prepared in a single step by the reaction of Fe+3 0.01 M solution with a fresh aqueous solution of 2% w/v pomegranate peel extract (PPE) as both reducing and capping agents. The physicochemical properties of peel were investigated by some experiments and functional groups were determined by the FT-IR spectrum. The electrochemical behavior of PPE was studied using cyclic voltammetry on a glassy carbon electrode as produced a cathodic peak at range 120-400 mV. The progress of nZVI production was monitored by a decrease of 372 nm wavelength UV-Vis spectra of PPE. The 27 adsorption experiments were carried out as a function of solution pH, initial arsenite concentration, mass adsorbent, and contact time according to DOE. RESULTS: The rapid rate of adsorption was observed at 20-60 min, indicating that the principal mechanism dominating the sorption process was reduction and chemical adsorption. The arsenite removal efficiency was found to be dependent on the solution pH, adsorbent dose, and initial concentration, respectively. CONCLUSION: The experimental data show the ability of the synthesized iron NPs to remove arsenate from solution in both synthetic and polluted natural water. The thermodynamic study suggested the spontaneous and endothermic nature of adsorption of arsenite by green synthesized iron NPs. The iron NPs synthesized with PPE increased the removal of arsenite with an increase in the active surface, indicating some chemical interactions between the adsorbent and oxoanions.

Data on assessment of physical, chemical and biological characteristics of effluent from wastewater treatment in Torbat Heydarieh, Iran.

Data on the chemical, physical and biological of effluent from wastewater treatment are provided in table format in the current article. Samples were taken in Peak Flows at effluent Treatment Plants. Sampling and tests were conducted according to the standards methods. The collected data were analyzed by SPSS software and excel program. Nickel metal showed higher amounts than the standards required for irrigation agricultural land. Data could be useful from environmental and agricultural sciences to those concerned about heavy metals, Alkalinity, EC, COD, BOD5 and Microbial concentrations threats.

Effects of extrusion of rice bran on performance and phosphorous bioavailability in broiler chickens.

BACKGROUND: Rice bran is a by-product of the rice-milling process, which remains largely underutilized; however, efficient processing treatments may improve its feeding value for chickens. This is of great economic and environmental importance, as this can lower the production costs, and offer an opportunity for valorization of a low-quality agricultural by-product, to a high-value feed source. METHODS: This experiment was conducted to study the effect of extruded rice bran on performance and phosphorous (P) bioavailability in broiler chickens. In a completely randomized design, 200 seven-day-old broilers (Cobb 500) were allotted to five treatments with five replicates per treatment and 8 chicks per replicate, and fed with their respective diet during the starter (8 to 21 days) and grower (22 to 42 days) periods. Diets were a basal corn-soybean based diet (T1), or diets containing 20 % rice bran (T2), 30 % rice bran (T3), 20 % extruded rice bran (T4), or 30 % extruded rice bran (T5). RESULTS: Birds feeding on T4 and T5 diets had a higher body weight gain and lower feed-to-gain ratio compared to those feeding on T2 and T3 diets (p < 0.05). Birds receiving diets containing extruded rice bran had higher total P availability and tibia ash content, as compared with those receiving diets containing un-extruded rice bran (p < 0.05). Relative weight of the pancreas was higher in birds receiving T2 and T3 diets. CONCLUSIONS: The results confirmed the beneficial effect of extrusion treatment of rice bran on performance and P availability in broilers. Up to 30 % extruded rice bran may be included in the broiler diet without apparent adverse effects on the performance.

Synthesis and crystal structure of 2-amino-3-hydroxypyridinium dioxido(pyridine-2,6-dicarboxylato-κ³O²,N,O6)vanadate(V) and its conversion to nanostructured V2O5.

2-Amino-3-hydroxypyridinium dioxido(pyridine-2,6-dicarboxylato-κ(3)O(2),N,O(6))vanadate(V), (C5H7N2O)[V(C7H3NO4)O2] or [H(amino-3-OH-py)][VO2(dipic)], (I), was prepared by the reaction of VCl3 with dipicolinic acid (dipicH2) and 2-amino-3-hydroxypyridine (amino-3-OH-py) in water. The compound was characterized by elemental analysis, IR spectroscopy and X-ray structure analysis, and consists of an anionic [VO2(dipic)](-) complex and an H(amino-3-OH-py)(+) counter-cation. The V(V) ion is five-coordinated by one O,N,O'-tridentate dipic dianionic ligand and by two oxide ligands. Thermal decomposition of (I) in the presence of polyethylene glycol led to the formation of nanoparticles of V2O5. Powder X-ray diffraction (PXRD) and scanning electron microscopy (SEM) were used to characterize the structure and morphology of the synthesized powder.

Homogeneous liquid-liquid extraction coupled to ion mobility spectrometry for the determination of p-toluidine in water samples.

In this research, homogeneous liquid-liquid extraction followed by ion mobility spectrometry (HLLE-IMS) with corona discharge ionization source has been developed for the determination of p-toluidine. The analyte was extracted by single-phase extraction in a ternary solvent system and then the extracted p-toluidine was injected into IMS for analysis. Optimization of different parameters which could influence HLLE-IMS was performed. Under optimum conditions, the dynamic linear range was obtained over 2.0-40.0 ng/mL with R (2) = 0.9966 while relative standard deviation was below 10 %. The limits of detection and quantification were 0.6 and 2.0 ng/mL of p-toluidine, respectively. The proposed method was applied to determine p-toluidine in environmental water samples which resulted in acceptable recoveries of the analyte, ranging from 85.3 %-90 %.

Application of ion mobility spectrometry for the determination of tramadol in biological samples.

In this study, a simple and rapid ion mobility spectrometry (IMS) method has been described for the determination of tramadol. The operating instrumental parameters that could influence IMS were investigated and optimized (temperature; injection: 220 and IMS cell: 190°C, flow rate; carrier: 300 and drift: 600 mL/minute, voltage; corona: 2300 and drift: 7000 V, pulse width: 100 µs). Under optimum conditions, the calibration curves were linear within two orders of magnitude with R2 ≥ 0.998 for the determination of tramadol in human plasma, saliva, serum, and urine samples. The limits of detection and the limits of quantitation were between 0.1 and 0.3 and 0.3 and 1 ng/mL, respectively. The relative standard deviations were between 7.5 and 8.8%. The recovery results (90-103.9%) indicate that the proposed method can be applied for tramadol analysis in different biological samples.

Kinetic spectrophotometric determination of trace amounts of iodide in food samples.

A simple, selective and sensitive kinetic method has been developed for the determination of trace amounts of iodide. This method is based on a catalytic effect of iodide on the reaction between Janus Green and bromate in acidic media. Trace amounts of iodide increase the rate of a reaction that is monitored spectrophotometrically at 618 nm by a fixed-time method at 30 s. Effective parameters on the reaction rate, such as the concentration of reactants, temperature and reaction time, were investigated and the optimum conditions were obtained (6.0 x 10(-2) mol L(-1) of sulfuric acid, 2.50 x 10(-5) mol L(-1) of Janus Green, 1.75 x 10(-2) mol L(-1) of bromate, 30 degrees C and 180 s). The calibration curve was linear between 0.5-190.0 microg L(-1) of iodide, and the relative standard deviations (n = 5) for 10.0 and 100.0 microg L(-1) of iodide were 1.2 and 1.8%, respectively. The limit of detection was 0.12 microg L(-1) of iodide concentration. The effects of various substances upon the reaction rate were determined for assigning the selectivity of the method. The proposed method was successfully applied to the determination of iodide in food samples. The new developed method was found to have fairly good selectivity, sensitivity, simplicity and rapidity.

Determination of aflatoxins B1 and B2 using ion mobility spectrometry.

This paper describes total determination of aflatoxins B1 and B2 in pistachio samples using corona discharge ion mobility spectrometry (IMS). A new injection port was designed to introduce liquid samples into the IMS. Using this port, the liquid solvent (methanol) containing standard aflatoxins or an extracted sample was directly introduced into the injection port. Calibration curves resulting from experimental analyses were linear within two orders of magnitude and relative standard deviations (R.S.D.) were less than 10%. The limit of detection (LOD) was found to be 0.25 ng for both aflatoxins. Addition of ammonia as the dopant to the carrier gas improved the LOD by a factor of 2.5. Pistachio samples were analyzed to demonstrate the capability of the proposed method in detecting aflatoxins in real samples.