Method Development for Detecting Low Level Volatile Organic Compounds (VOCs) among Workers and Residents from a Carpentry Work Shop in a Palestinian Village.

Volatile organic compounds (VOCs) are considered a major public health concern in industrial location areas. The presence of exposure to (VOCs) has raised concern regarding the health effects caused by chronic human exposure as this will increase cancer diseases in the village. An analytical method has been developed and modified to help us detect 38 VOCs in the blood of 38 volunteers who are related to a carpentry shop at the parts-per-trillion level. To measure and evaluate the potential risk, several devices, such as portable passive monitors and air-collected samples, in addition to blood concentration, were used to study three different occupational groups. Ten of the volunteers are employees at the shop, 10 volunteers live very close to the shop, and 10 of them are students in an elementary school very close to the shop. In this study, we developed an automated analytical method using headspace (HS) together with solid-phase microextraction (SPME) connected to capillary gas chromatography (GC) equipped with quadrupole mass spectrometry (MS). The detection limits for the method used were measured in the range from 0.001 to 0.15 ng/L, using linear calibration curves that have three orders of magnitude. The detected concentrations ranged from 3 ng L-1 for trichloroethene to 91 ng L-1 for toluene and 270 ng L-1 for 2,4-diisocyanate, which was derived from the paint solvents used for the wood in the carpentry shop and the paints on the walls. More than half of all assessed species (80%) had mean concentration values less than 50 ng L-1, which is the maximum allowed for most VOCs. The major chemical types among the compounds quantified will be those we found in our previous study in the surrounding air of a carpentry workshop in Deir Ballout in Palestine, which were toluene diisocyanate and butyl cyanate. Some were found to be highly present air. Most of the measurements were below the guidelines of the World Health Organization (WHO). Despite the fact that this study only involved a small number of smokers, smoking was found to be connected with several blood and breath components. This group includes unsaturated hydrocarbons (1,3-butadiene, 1,3-pentadiene, 2-butene), furans (2,5-dimethylfuran), and acetonitrile. The proposed classification of measured species into systemic (blood-borne) and exogenous volatiles is strictly hypothetical, as some species may have several origins.

Chitosan-Hydroxyapatite Bio-Based Composite in Film Form: Synthesis and Application in Wastewater.

Water purification from toxic metals was the main objective of this work. A composite in film form was prepared from the biomaterials hydroxyapatite, chitosan and glycerol using the dissolution/recrystallization method. A nanoparticle-based film with a homogenous and smooth surface was produced. The results of total reflectance infrared spectroscopy (ATR-FTIR) and thermal gravimetric analysis (TGA/DTA) demonstrated the presence of a substantial physical force between composite components. The composite was tested for its ability to absorb Cd2+ and Zn2+ ions from aqueous solutions. Cd2+ and Zn2+ adsorption mechanisms are fit using the Langmuir model and the pseudo-second-order model. Thermodynamic parameters indicated that Cd2+ and Zn2+ ion adsorption onto the composite surface is spontaneous and preferred at neutral pH and temperatures somewhat higher than room temperature. The adsorption studies showed that the maximum adsorption capacity of the HAp/CTs bio-composite membrane for Cd2+ and Zn2+ ions was in the order of cadmium (120 mg/g) > Zinc (90 mg/g) at an equilibrium time of 20 min and a temperature of 25 °C. The results obtained on the physico-chemical properties of nanocomposite membranes and their sorption capacities offer promising potential for industrial and biological activities.

Experimental and theoretical study for removal of trimethoprim from wastewater using organically modified silica with pyrazole-3-carbaldehyde bridged to copper ions.

BACKGROUND: Human and veterinary antibiotics are typically discharged as parent chemicals in urine or feces and are known to be released into the environment via wastewater treatment plants (WWTPs). Several research investigations have recently been conducted on the removal and bioremediation of pharmaceutical and personal care products (PPCPs) disposed of in wastewater. RESULTS: SiNP-Cu, a chelating matrix, was produced by delaying and slowing 1.5-dimethyl-1H-pyrazole-3-carbaldehyde on silica gel from functionalized with 3-aminopropyltrimethoxysilane. The prepared sorbent material was characterized using several techniques including BET surface area, FT-IR spectroscopy, Scanning electron microscopy (SEM), thermogravimetric analysis (TGA), and nitrogen adsorption-desorption isotherm. The pseudo-second-order model provided the best correlation due to the big match between the experimental and theoretical of different adsorption coefficients. The Langmuir and Freundlich adsorption models were used and the study showed a better match with the Freundlich model with a capacity of removal reached up to 420 mg g-1. The removal capacity was dependent on pH and increased by increasing pH. The removal percentage reached 91;5% at pH = 8. The adsorbent demonstrated a high percentage removal of TMP, reaching more than 94% when increased pH. The sample was simply regenerated by soaking it for a few minutes in 1 N HCl and drying it. The sorbent was repeated five times with no discernible decrease in removal capacity. The thermodynamic study also showed endothermic, increasing randomness and not spontaneous. The free energy was 2.71 kJ/mol at 320 K. The findings of the DFT B3LYP/6-31 + g (d, p) local reactivity descriptors revealed that nitrogen atoms and π-electrons of the benzene and pyrimidine rings in the TMP are responsible for the adsorption process with the SiNP surface. The negative values of the adsorption energies obtained by molecular dynamic simulation indicated the spontaneity of the adsorption process. CONCLUSION: The global reactivity indices prove that TMP is stable and it can be removed from wastewater using SiNP surface. The results of the local reactivity indices concluded that the active centers for the adsorption process are the nitrogen atoms and the π-electrons of the pyrimidine and benzene rings. Furthermore, the positive value of the maximum charge transfer number (ΔN) proves that TMP has a great tendency to donate electrons to SiNP surface during the process of adsorption.

Zeolite/Cellulose Acetate (ZCA) in Blend Fiber for Adsorption of Erythromycin Residue From Pharmaceutical Wastewater: Experimental and Theoretical Study.

The expanding amount of remaining drug substances in wastewater adversely affects both the climate and human well-being. In the current investigation, we developed new cellulose acetic acid derivation/zeolite fiber as an effective technique to eliminate erythromycin (ERY) from wastewater. The number of interchangeable sites in the adsorbent structures and the ratio of ERY to the three adsorbents were identified as the main reasons for the reduction in adsorption as the initial ERY concentrations increased. Additionally, for all adsorbents, the pseudo-second-order modeling showed better fitting for the adsorption than the pseudo-first-order modeling. However, the findings obtained in the pseudo-first-order model were still enough for explaining the sorption kinetics of ERY, showing that the surface displayed all chemisorption and physi-sorption adsorption processes by both adsorbents. The R 2 for the second order was very close to 1 for the three adsorbents in the case of pseudo-second-order. The adsorption capacity reached 17.76 mg/g. The three adsorbents showed negative values of ΔH, and these values were -6,200, -8,500, and -9600 kJ/mol for zeolite, CA, and ZCA, respectively, and this shows that the adsorption is exothermic. The desorption analysis shows no substantial loss of adsorption site after three trials, indicating higher stability and resilience of the three adsorbents, indicating a strong repeatability of their possible use in adsorption without contaminating the environment. In addition, the chemical attitude and possible donor-acceptor interactions of ERY were assessed by the quantum chemical parameters (QCPs) and NBO analysis performed, at the HF/6-311G** calculations.

Cellulose-Based Hectocycle Nanopolymers: Synthesis, Molecular Docking and Adsorption of Difenoconazole from Aqueous Medium.

The goal of this work was to develop polymer-based heterocycle for water purification from toxic pesticides such as difenoconazole. The polymer chosen for this purpose was cellulose nanocrystalline (CNC); two cellulose based heterocycles were prepared by crosslinking with 2,6-pyridine dicarbonyl dichloride (Cell-X), and derivatizing with 2-furan carbonyl chloride (Cell-D). The synthesized cellulose-based heterocycles were characterized by SEM, proton NMR, TGA and FT-IR spectroscopy. To optimize adsorption conditions, the effect of various variable such as time, adsorbent dose, pH, temperature, and difenoconazole initial concentration were evaluated. Results showed that, the maximum difenoconazole removal percentage was about 94.7%, and 96.6% for Cell-X and Cell-D, respectively. Kinetic and thermodynamic studies on the adsorption process showed that the adsorption of difenoconazole by the two polymers is a pseudo-second order and follows the Langmuir isotherm model. The obtained values of ∆G ° and ∆H suggest that the adsorption process is spontaneous at room temperature. The results showed that Cell-X could be a promising adsorbent on a commercial scale for difenoconazole. The several adsorption sites present in Cell-X in addition to the semi crown ether structure explains the high efficiency it has for difenoconazole, and could be used for other toxic pesticides. Monte Carlo (MC) and Molecular Dynamic (MD) simulation were performed on a model of Cell-X and difenoconazole, and the results showed strong interaction.

Novel, Environment-Friendly Cellulose-Based Derivatives for Tetraconazole Removal from Aqueous Solution.

In this study, cellulose-based derivatives with heterocyclic moieties were synthesized by reacting cellulose with furan-2-carbonyl chloride (Cell-F) and pyridine-2,6-dicarbonyl dichloride (Cell-P). The derivatives were evaluated as adsorbents for the pesticide tetraconazole from aqueous solution. The prepared adsorbents were characterized by SEM, TGA, IR, and H1 NMR instruments. To maximize the adsorption efficiency of tetraconazole, the optimum conditions of contact time, pH, temperature, adsorbent dose, and initial concentration of adsorbate were determined. The highest removal percentage of tetraconazole from water was 98.51% and 95% using Cell-F and Cell-P, respectively. Underivatized nanocellulose was also evaluated as an adsorbent for tetraconazole for comparison purpose, and it showed a removal efficiency of about 91.73%. The best equilibrium adsorption isotherm model of each process was investigated based on the experimental and calculated R2 values of Freundlich and Langmuir models. The adsorption kinetics were also investigated using pseudo-first-order, pseudo-second-order, and intra-particle-diffusion adsorption kinetic models. The Van't Hoff plot was also studied for each adsorption to determine the changes in adsorption enthalpy (∆H), Gibbs free energy (∆G), and entropy (∆S). The obtained results showed that adsorption by Cell-F and Cell-P follow the Langmuir adsorption isotherm and the mechanism follows the pseudo-second-order kinetic adsorption model. The obtained negative values of the thermodynamic parameter ∆G (-4.693, -4.792, -5.549 kJ) for nanocellulose, Cell-F, and Cell-P, respectively, indicate a spontaneous adsorption process. Cell-F and Cell-P could be promising absorbents on a commercial scale for tetraconazole and other pesticides.

Efficiency of magnetic chitosan supported on graphene for removal of perchlorate ions from wastewater.

In this study, we used a synthesized cross-linked magnetic chitosan with graphene oxide beads to study the removal of perchlorate from wastewater. The prepared complex was characterized using transmission electron microscopy (TEM), Fourier Transformation Infrared spectroscopy (FT-IR), vibrating sample magnetometry (VSM) and Thermal gravimetric analysis (TGA). Several parameters were studied including the effect of pH, contact time and the co-existing anions. The study showed that the adsorption could be studied in a wide range of pH. The study showed that the adsorption follows a pseudo-second-order model and Langmuir adsorption isotherm. The enthalpy and negative Gibbs standard free energy showed that the adsorption process was exothermic and spontaneous. The perchlorate adsorbent can be regenerated well by 0.1% NaCl solution.

Enhanced Ibuprofen Adsorption and Desorption on Synthesized Functionalized Magnetic Multiwall Carbon Nanotubes from Aqueous Solution.

In recent years, concerns have been raised about the occurrence of active raw materials and pharmaceutical ingredients that may be present in water, including wastewater, in the pharmaceutical industry. Wastewater treatment methods are not enough to completely remove active pharmaceuticals and other waste; thus, this study aims to assess the use of a multiwall carbon nanotube after derivatization and magnetization as a new and renewable absorbent for removing ibuprofen from an aqueous medium. The adsorbents were prepared by first oxidizing a multiwall carbon nanotube and then deriving the oxidized product with hydroxyl amine (m-MWCNT-HA), hydrazine (m-MWCNT-HYD), and amino acid (m-MWCNT-CYS). Adsorbents were characterized by Raman spectroscopy, Fourier Transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM and TEM), Brunauer-Emmett-Teller surface area analysis (BET), thermogravimetric analysis (TGA), and vibrating sample magnetometer (VSM). Batch adsorption studies were conducted to study the effects of pH, temperature, time, and initial concentration of the adsorbate. Adsorption isotherm, kinetics, and thermodynamics studies were also conducted. The results show that the optimal pH for nearly complete removal of Ibu in a short time at room temperature was 4 for three adsorbents. The adsorption followed the Langmuir isotherm model with pseudo-second-order kinetics. The percentage of removal of ibuprofen reached up to 98.4%, 93%, and 61.5% for m-MWCNT-CYS, m-MWCNT-HYD, and m-MWCNT-HA respectively. To the best of our knowledge, the grafted MWCNTs presented in this work comprise the first example in the literature of oxidized MWCNT modified with such functionalities and applied for ibuprofen removal.

Removal and extraction efficiency of Quaternary ammonium herbicides paraquat (PQ) from aqueous solution by ketoenol-pyrazole receptor functionalized silica hybrid adsorbent (SiNPz).

Pesticides and herbicides have been used extensively in agricultural practices to control pests and increase crop yields. Paraquat (PQT2+, 1,1-dimethyl-4,4-dipyridinium chloride) is one of the herbicide that belois classified as bipyridines and is used over the world. The objective of this study is to use ketoenol-pyrazole receptor functionalized silica hybrid as adsorbent for removal PQT2+ from aqueous solution. The adsorbent was synthesized, and characterized using scanning electron microscopy (SEM), nuclear magnetic resonance (NMR), Thermal analysis and other techniques. Different experimental parameters such as the effect of the amount of adsorbent, solution pH and temperatures and contact times were studied. Pseudo-order kinetics models were studied, and our data followed a pseudo second order. Experimental data were analyzed for both Langmuir and Freundlich models and the data fitted well with the Langmuir isotherm model. To understand the mechanism of adsorption, thermodynamic parameters like standard enthalpy, standard Gibbs free energy, and standard entropy were studied. The study indicated that the process is spontaneous, exothermic in nature and follow physisorption mechanisms. The novelty of this study showed surface of pyrazol-enol-imine-substituted silica (SiNPz) has the ability to highlight the surface designed for efficient removal of PQT2+, from aqueous solutions more than other studies. The study also showed that ketoenol-pyrazole receptor can be regenerated in five cycles using HNO3 without affecting its adsorption capacity.