Water Concentration Research Articles

Smart App Assisted Colorimetric Determination of Iron: A Case Study in UDUPI Taluk

Abstract: Water is an important source for several uses. Water from surface and groundwater is used extensively to get the various industrial and domestic demands. Increased industrialization and urbanization discharges wastewater in the environment without treatment. By the infiltration and runoff, The water reaches subsurface and water above the ground and pollutes fresh water. Groundwater treatment is costlier and requires proper assessment. The area selected for study is Udupi taluk, Karnataka state. The study says that in Udupi region the soil is sensitive and here the soil is lateritic, there is a chance that the soil induces iron content in water which may increases concentration of iron in water. According to BIS 10500:2012 the limit of iron concentration in water is 0.3mg/lt. If iron content in water exceeds from 0.3mg/lt, it causes various health effects and waterborne diseases

Assessment of Natural Radioactivity and Associated Radiological Indicators in Water and Surface Soils Around Beta Glass Plc and Its Environs, Ughelli, Delta State, Nigeria

A radiometric assessment was conducted around Beta Glass plc using sodium iodide detector (3×3-inch NaI (TI)). The study collected 14 soil and 13 water samples from June to July 2022, analyzing radioactivity concentrations of 40K, 238U, and 232Th. The mean specific activity concentrations of 40K, 238U, and 232Th were 184.00±29.73 Bqkg-1, 14.55±2.50 Bqkg-1, and 8.60±1.04 Bqkg-1, respectively, in soil samples, but these elements' concentrations in water were 27.429±5.633 BqL-1, 6.661±1.421 BqL-1, and 2.518±0.361 BqL-1, respectively. The average activity concentrations of 40K, 238U, and 232Th were lower than the safe limit, and the corresponding radiation hazard indices for soil samples were all below the UNSCEAR-recommended acceptable limits. The mean activity concentrations of radionuclides in water samples were higher than the UNSCEAR's recommended international limits for 40K, 238U, and 232Th. Nonetheless, elevated radiological health hazards imply that cumulative dosages may cause cancer, even though these values might not pose an immediate health concern to the local community's people or the workforce.

The synthesis and application of L-cysteine graphene quantum dots for quantitative analysis of nitrite content in water

The limit standard of nitrite content in drinking water is an internationally recognized safety indicator. Some fluorescence analysis methods used for quantitative analysis of nitrite suffered from low anti-interference performance and inadequate specificity. In this article, L-cysteine graphene quantum dots have been synthesized and used to built a sensor system of ratiometric fluorescence with CdTe quantum dots. The L-cysteine graphene quantum dots were characterized by TEM and XPS. Results shown that the size of product is about 2 nm with homogeneous dispersion and a interplanar distance 0.235 nm, and there were hydroxyl, carboxyl, amino and sulfhydryl groups on its surface. Also, according to the linear association between nitrite concentrations and the ratio of fluorescence intensities at 421 and 570 nm (F421 nm/F570 nm), the quantitative analysis of nitrite in water has been realized, of which the linear range was 7.25–72.5 nmol/l, and the lowest detection limit was 3.012 nmol/l. This method with high sensitivity, selectivity, and anti-interference ability might be applied to analyze of nitrite in water quantitatively.

Effect of mass ratio on rGO/TiO2 composite as catalyst for methylene blue degradation under UV irradiation

Adsorption and photocatalytic are commonly used methods for the removal of dye contained in industrial wastewater. Therefore, this study aimed to combine reduced Graphene Oxide (rGO) with Titanium Oxide (TiO2) through various compositions using the hydrothermal method to obtain a catalyst of rGO/TiO2 nanocomposites for the removal of contaminants from wastewater. The synthesized rGO/TiO2 nanocomposites were mixed with methylene blue (MB) to reduce their content in water under dark conditions and UV light irradiation. The change of the optical properties of MB under both conditions was also examined, where a decrease in absorbance was observed. Under UV light irradiation, the maximum wavelength [Formula: see text] of MB shifted from 664[Formula: see text]nm to 649[Formula: see text]nm but remained constant at 664[Formula: see text]nm in dark conditions. The results of optical characterizations confirmed that the adsorption of MB by rGO/TiO2 nanocomposites under dark conditions did not change the MB structure. However, a significant degradation was observed with photocatalytic process under UV light irradiation. Nanocomposites rGO/TiO2 with rGO 60% and TiO2 40% (GT40) have better performance in reducing MB under UV light irradiation.

The Biophysical Properties of Microalgal Cell Surfaces Govern Their Interactions with an Amphiphilic Chitosan Derivative Used for Flocculation and Flotation.

Microalgae show great promise for producing valuable molecules like biofuels, but their large-scale production faces challenges, with harvesting being particularly expensive due to their low concentration in water, necessitating extensive treatment. While methods such as centrifugation and filtration have been proposed, their efficiency and cost-effectiveness are limited. Flotation, involving air-bubbles lifting microalgae to the surface, offers a viable alternative, yet the repulsive interaction between bubbles and cells can hinder its effectiveness. Previous research from our group proposed using an amphiphilic chitosan derivative, polyoctyl chitosan (PO-chitosan), to functionalize bubbles used in dissolved air flotation (DAF). Molecular-scale studies performed using atomic force microscopy (AFM) revealed that PO-chitosan's efficiency correlates with cell surface properties, particularly hydrophobic ones, raising the question of whether this molecule can in fact be used more generally to harvest different microalgae. Evaluating this, we used a different strain of Chlorella vulgaris and first characterized its surface properties using AFM. Results showed that cells were hydrophilic but could still interact with PO-chitosan on bubble surfaces through a different mechanism based on specific interactions. Although force levels were low, flotation resulted in 84% separation, which could be explained by the presence of AOM (algal organic matter) that also interacts with functionalized bubbles, enhancing the overall separation. Finally, flocculation was also shown to be efficient and pH-independent, demonstrating the potential of PO-chitosan for harvesting microalgae with different cell surface properties and thus for further sustainable large-scale applications.

Anthropogenic gadolinium in the Tone River (Japan): an update showing a 7.7-fold increase from 1996 to 2020

BackgroundAnthropogenic gadolinium (Gd), originating from Gd-based contrast agents (GBCAs) used in magnetic resonance imaging (MRI), is widely identified in the aquatic environment with concerns about toxicity and accumulation. We aimed to present new data on anthropogenic Gd in the Tone River, which has the largest drainage area in Japan, and then to compare the current data with those obtained in 1996.MethodsThe water samples were collected on August 9−10, 2020, at 15 different locations of the Tone River in Japan. The concentrations of the rare earth elements (REEs) were measured by inductively coupled plasma-mass spectrometry and normalized to Post-Archean Australian Shale to construct shale-normalized REE patterns. The degree of Gd-anomaly was defined as the percentage of anthropogenic Gd to the geogenic background and used to compare the water samples from different locations. Pearson’s correlation coefficients were calculated.ResultsAll the samples displayed positive Gd anomalies. The Gd-anomaly ranged from 121 to 6,545% and displayed a repeating decrease-and-increase trend. The Gd-anomaly showed strong positive correlations to the number of hospitals (r = 0.88; p < 0.001) and their MRI units (r = 0.89; p < 0.001).ConclusionsOur study revealed notable anomalies of Gd concentrations in river water in Japan, with strong positive correlations to the number of major hospitals and their MRI units. Compared with the previous report in 2000, the Gd-anomaly in Tone River increased from 851% (sampled in 1996) to 6,545%, i.e., 7.7 times, reflecting the increased use of GBCAs in hospitals.Relevance statementNotable Gd concentration anomalies in river water in Japan were observed. This result underlines the importance of more extensive research on anthropogenic gadolinium, and investigations of risks to human health as well as the development of effective removal technologies may be necessary.Key points• All water samples from Tone River displayed positive Gd anomalies.• The Gd anomalies increased to 7.7 times higher over the past 24 years.• Correlations between Gd values and the number of hospitals and MRI units were observed.Graphical

Aggregation-Induced Emission (AIE) in Polymers: Effect of Polymer size on the Fluorescence of Low Molecular Weight PEG and PPG.

Aggregation-induced emission (AIE) is a fascinating phenomenon where specific molecules exhibit enhanced fluorescence upon aggregation. This unique property has revolutionized the design and development of new fluorescent materials for different applications, from biosensors and organic light-emitting diodes (OLEDs) to biomedical imaging and diagnostics. Researchers are creating sensitive and selective sensing platforms, opening new avenues in material science and engineering by harnessing the potential of AIE. To expand the knowledge in this field, this study explored the aggregation-induced emission (AIE) properties of two polymers, namely polyethylene glycol (PEG) and polypropylene glycol (PPG) of low molecular weight (MW) using fluorescence spectroscopy and absorbance (UV). PEG-300 and PPG-725 were the most fluorescent polymers at UV of the ten investigated. Interestingly, AIE did not correlate linearly with molecular weight (MW), and monobutyl ether substitution in PEG with a similar MW substantially altered its AIE. Furthermore, fluorescence precisely quantified low polymer concentrations in water, and non-aqueous solvents suppressed AIE, suggesting potential for AIE manipulation. These findings enhance our understanding of AIE in polymers, fostering the development of novel materials for applications such as biosensors.

Heavy metals pollution, distribution and associated human health risks in groundwater and surface water: a case of Kampala and Mbarara districts, Uganda

Groundwater and surface water quality is of great significance for humanity as they serve as the primary drinking water sources globally. Due to population growth and the need to provide people with necessities that depend on water as an essential resource, these bodies of water are becoming more polluted. The present study involved the collection of groundwater and surface water samples from Kampala and Mbarara districts in Uganda during the dry and wet seasons. Also, concentrations of lead (Pb), manganese (Mn), cadmium (Cd), copper (Cu), and iron (Fe) were analyzed in order to evaluate the toxicity of metals, identify potential sources, and determine the health risk associated with their presence in water. Results showed that metals were observed with higher concentration during the wet season than the dry season. The concentrations of Fe (8.646 ± 0.00 mg/L), Mn (2.691 ± 0.01 mg/L) and Cd (0.090 ± 0.41 mg/L) measured in groundwater were significantly higher than those measured in surface water. However, only Cu was observed with higher concentration (0.322 ± 0.06 mg/L) in surface water during the wet season. Furthermore, the degree of contamination (Cd) and the heavy metal pollution index (HPI) were evaluated for both the wet and dry seasons. Results showed that few samples were found in the category of portable drinking water while majority are within the “poor” and “very poor” classes which require proper treatment before consumption. The oral hazard index (HIoral) results showed that none of the samples are suitable for consumption; therefore, cause potential non-carcinogenic health issues to the consumer (HIoral > 1). Moreover, children are more at risk than adults in the study districts (higher HI values in both seasons). This study recommends frequent monitoring of quality of water and also effluent waste treatment by the major source of pollution.

Glimpsing the 2020 spring bloom in the Strait of Georgia (Canada) with autonomous ferry-based sensors

Spatiotemporal observations are data rich and offer insights into links between ecological patterns and underlying processes. We present fine-scale autonomous observations from repeated ferry transects in the Strait of Georgia (British Columbia, Canada) during the 2020 spring bloom period using a FerryBox system (temperature, salinity, chlorophyll a fluorescence) and a digital inline holographic microscope. Despite instrument cleaning interruptions related to COVID-19 restrictions, 3 periods from late winter (February) to springtime (March and April) contained 14 days of high-quality holograms (&gt;70000) capturing &gt;10500 identifiable micro- to mesoplankton using automatic object detection. The ferry set-up provided automatic data storage through Ocean Networks Canada, which also automatized data flagging and guaranteed remote access. The highest-quality holograms repeatedly covered the central and eastern Strait and showed aspects of bloom succession. Fast-growing diatoms (Skeletonema sp.) emerged first, followed by a diverse assemblage including Chaetoceros spp., Ditylum spp., and Eucampia spp., and by April, larger centric cells prevailed. The combined approach captured local suppression of chlorophyll a fluorescence and diatom concentrations in Fraser River plume waters during the freshet, suggesting fine-scale spatial patterns in seasonal planktonic community composition. This work is among the first of its kind to autonomously generate in situ imaging and physicochemical data with spatiotemporal resolution.

#3063 MRI assessment of skin and muscle sodium (23Na) and fluid volume in haemodialysis patients

Abstract Background and Aims Haemodialysis (HD) is life sustaining for patients with end-stage kidney disease (ESKD). In healthy people, sodium balance is regulated by the kidneys; in ESKD this is achieved by sodium removal during HD. Recent evidence suggests non-osmotically stored sodium in the muscle and/or skin may be a critical factor impacting the development of hypertension and cardiovascular disease (CVD). Sodium (23Na) MRI allows skin and muscle sodium storage assessment and may provide a valuable tool in evaluating sodium storage in dialysis patients. Here, 23Na MRI is used to measure muscle and skin tissue sodium concentration (TSC) in HD participants. HD participants are scanned before and after a single haemodialysis session using 23Na MRI as well as 1H T2 relaxometry to study changes in fluid status. Method Data were collected on HD patients who underwent a pre-HD 23Na MRI calf scan, then had their usual dialysis session with a dialysate sodium of 137 mmol/L, followed by a repeat post-HD 23Na MRI scan. Patient dialysis vintage, residual renal function, and ultrafiltration volume, and blood measures pre- and post-HD were collected. 1H scans were acquired for localisation and muscle segmentation (mDIXON) along with T1 and T2 mapping. 23Na images were acquired for (TSC) quantification. Reference bottles (10, 20, 30 and 40 mmol/L NaCl) were placed above the leg to calibrate TSC muscle and skin maps. Regions-of-interest (ROIs) of each muscle group and the skin were manually segmented on mDIXON scans. In each muscle group the voxel-wise mode (to avoid influence of signals from vessels) of TSC and T2 was estimated. A paired-sample t-test was performed between metrics pre-HD and post-HD. Absolute measures of ΔTSC and ΔT2 were correlated with clinical measures. Results Ten people receiving HD were recruited (age 55-73 yrs, 5 M:5F). Figure 1 shows TSC maps of the HD patients pre-HD and post-HD, with a significant reduction (p &amp;lt; 0.05) in TSC in the extensor, peroneus and gastrocnemius muscles post-HD but skin sodium showed no detectable change. Post-HD TSC significantly positively correlated with post-HD Systolic Blood Pressure (SBP) (P &amp;lt; 0.004) but not with plasma sodium. 1H T2-maps (Fig. 2A) show a significant reduction (p &amp;lt; 0.01) in muscle T2 post-HD compared to pre-HD all muscle groups (Fig. 2B). There were no significant correlations between T2 and 23Na measures, or T2 and clinical measures. There was no significant detectable change in 1H T1. Conclusion Post-HD TSC values are consistent with published data from patients dialysed against a dialysate sodium of 137 mmol/L, and shows a significant correlation of post-HD TSC with post-HD SBP. 1H muscle T2 reduced post-HD, consistent with published data, as patients change from a pre-HD hypervolemia state closer to a post-HD to euvolemia state after fluid removal. There was no correlation of absolute or ΔTSC and 1H T2 and ΔT2 values, suggesting different mechanisms for equilibrium conditions of water and sodium ion concentrations. Future studies will study the effect of dialysate sodium on muscle TSC and mechanistic links to CVD, and include the use of a dedicated skin coil to study skin sodium alongside bioimpedance fluid measures.

Distribution and trophodynamics of substituted diphenylamine antioxidants and benzotriazole UV stabilizers in a freshwater ecosystem and the adjacent riparian environment.

Substituted diphenylamine antioxidants (SDPAs) and benzotriazole UV stabilizers (BZT-UVs) are industrial additives of emerging environmental concern. However, little is known about their environmental fate and bioaccumulation. This study investigated the concentrations of SDPAs and BZT-UVs in the water, sediment and biota samples in the freshwater ecosystem and adjacent riparian environment using Hamilton Harbour in the Great Lakes of North America as a study site. The bioaccumulation factors and trophodynamics of these contaminants were studied using field-collected samples. Eight target SDPAs and two BZT-UVs (2-(2H-benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)phenol (UV234) and 2-(2H-benzotriazol-2-yl)-4,6-di-tert-pentylphenol (UV328)) were frequently detected in the sediment, water and biota samples. UV328 showed significantly greater concentrations in water (0.28-2.8 ng L-1) and sediment (8.3-48 ng g-1, dry weight) than other target contaminants, implying greater contamination of UV328 in Hamilton Harbour. SDPAs exhibited trophic dilution in species living in the water, whereas UV234 was biomagnified in the same samples. No clear trophodynamic trend was found for UV328 for water-respiring species. Air-breathing invertebrates had higher concentrations of both SDPAs and BZT-UVs than water-respiring invertebrates, and biomagnification was observed particularly for adult dragonflies. These results suggest that the trophodynamics of SDPAs and BZT-UVs vary depending on whether the food web is terrestrial or aquatic. Future research should investigate the occurrence and partitioning of SDPAs and BZT-UVs in the air-water interface and evaluate the toxicities of these contaminants in air-breathing species.

Diagnostic value of one-stop CT energy spectrum and perfusion for angiogenesis in colon and rectum cancer

ObjectiveEvaluation of the predictive value of one-stop energy spectrum and perfusion CT parameters for microvessel density (MVD) in colorectal cancer cancer foci.MethodsClinical and CT data of 82 patients with colorectal cancer confirmed by preoperative colonoscopy or surgical pathology in our hospital from September 2019 to November 2022 were collected and analyzed retrospectively. Energy spectrum CT images were measured using the Protocols general module of the GSI Viewer software of the GE AW 4.7 post-processing workstation to measure the CT values of the arterial and venous phase lesions and the neighboring normal intestinal wall in a single energy range of 40 kev∼140 kev, and the slopes of the energy spectrum curves (λ) were calculated between 40 kev-90 kev; Iodine concentration (IC), Water concentration (WC), Effective-Z (Eff-Z) and Normalized iodine concentration (NIC) were measured by placing a region of interest (ROI) on the iodine concentration map and water concentration map at the lesion and adjacent to the normal intestinal wall.Perfusion CT images were scanned continuously and dynamically using GSI Perfusion software and analyzed by applying CT Perfusion 4.0 software.Blood volume (BV), blood flow (BF), surface permeability (PS), time to peak (TTP), and mean transit time (MTT) were measured respectively in the lesion and adjacent normal colorectal wall. Based on the pathological findings, the tumors were divided into a low MVD group (MVD < 35/field of view, n = 52 cases) and a high MVD group (MVD ≥ 35/field of view, n = 30 cases) using a median of 35/field of view as the MVD grouping criterion. The collected data were statistically analyzed, the subjects’ operating characteristic curve (ROC) was plotted, and the area under curve (AUC), sensitivity, specificity, and Yoden index were calculated for the predicted efficacy of each parameter of the energy spectrum and perfusion CT and the combined parameters.ResultsThe CT values, IC, NIC, λ, Eff-Z of 40kev∼140kev single energy in the arterial and venous phase of colorectal cancer in the high MVD group were higher than those in the low MVD group, and the differences were all statistically significant (p < 0.05). The AUC of each single-energy CT value in the arterial phase from 40 kev to 120 kev for determining the high or low MVD of colorectal cancer was greater than 0.8, indicating that arterial stage has a good predictive value for high or low MVD in colorectal cancer; AUC for arterial IC, NIC and IC + NIC were all greater than 0.9, indicating that in arterial colorectal cancer, both single and combined parameters of spectral CT are highly effective in predicting the level of MVD. The AUC of 40 kev to 90 kev single-energy CT values in the intravenous phase was greater than 0.9, and its diagnostic efficacy was more representative; The AUC of IC and NIC in venous stage were greater than 0.8, which indicating that the IC and NIC energy spectrum parameters in venous stage colorectal cancer have a very good predictive value for the difference between high and low MVDs, with the greatest diagnostic efficacy in IC.The values of BV and BF in the high MVD group were higher than those in the low MVD group, and the differences were statistically significant (P < 0.05), and the AUC of BF, BV, and BV + BF were 0.991, 0.733, and 0.997, respectively, with the highest diagnostic efficacy for determining the level of MVD in colorectal cancer by BV + BF.ConclusionOne-stop CT energy spectrum and perfusion imaging technology can accurately reflect the MVD in living tumor tissues, which in turn reflects the tumor angiogenesis, and to a certain extent helps to determine the malignancy, invasion and metastasis of living colorectal cancer tumor tissues based on CT energy spectrum and perfusion parameters.

ФУНКЦИОНАЛЬНЫЕ И СТРУКТУРНЫЕ ИЗМЕНЕНИЯ ТИМУСА КРЫС ПРИ ВОЗДЕЙСТВИИ РАЗЛИЧНЫХ ДОЗ ЭНДОКРИННОГО ДИСРАПТОРА

In recent years, there has been a significant increase in the number of diseases associated with impaired functioning of the immune system in the world. One of the main reasons for this can be considered environmental pollution by endocrine disruptors. The most common disruptor on the planet is DDT. Its ubiquitous content in food, water and soil is noted, which makes the study of the effect of its background doses on the body extremely relevant. Systemic consumption of low doses of the disruptor DDT leads to significant changes in the structural and functional characteristics of the rat thymus, which are manifested by increased death of lymphocytes and reticuloepitheliocytes, in the mechanisms of death of which the p53-dependent pathway of apoptosis is involved, as well as a decrease in the proliferative activity of thymocytes, i.e., it is capable of having an immunotoxic effect on the body. These data show that the maximum permissible levels of DDT in food are not safe for the body's immune system.

Ultra-Efficient Removal of Mercury from Contaminated Water using Selected Phenylimidazole Derivatives

Heterocycles, including imidazole derivatives, are important chemicals due to their structural similarity to active natural molecules. This study explored the utilization of phenylimidazole derivatives for mercury removal from aqueous solutions. Three derivatives were tested, including one harboring a sulfhydryl functional group, thus offering distinct mercury-binding capabilities. Mercury binding experiments revealed modest mercury binding by two derivatives. However, extraordinary efficiency of mercury binding by the sulfhydryl-bearing compound was demonstrated through a reduction in mercury concentrations in pure water by 43-fold in just 15 min and decreasing below the analytical detection limit with prolonged exposure (30 min). Moreover, the ultra-efficiency of mercury binding was demonstrated by a capability to reduce mercury concentrations even in highly contaminated environmental water sample by a factor exceeding 1200-fold in 20 h, using minimal amounts of the compound. This phenylimidazole derivative exhibited comparable efficiency in binding mercury from authentic environmental water samples, hinting at practical applications for real-world remediation efforts. Kinetic investigations showed a pseudo-first order reaction with a rate constant of 0.26 min−1 and half-life of 2.69 min that governs mercury binding to this phenylimidazole derivative. These findings underscore the potential of the sulfhydryl-containing phenylimidazole derivative, as swift and effective binding material for aqueous mercury removal. Its rapid action, coupled with binding efficiency, suggests a promising material for addressing mercury contamination in highly contaminated environmental water samples.

Calculation of the required methanol consumption during the flow of wet hydrocarbon gas in a horizontal pipeline

One of the main problems that have to be solved during the development of hydrocarbon deposits is the formation of gas hydrates in pipelines. In this regard, the article presents a preventive method to struggle against the formation of gas hydrate deposits on the pipes inner walls associated with the supply of a hydrate formation inhibitor to the gas stream. The research was conducted on the basis of a mathematical model of the wet hydrocarbon gas flow in a horizontal pipeline. The research object is to determine the minimum required consumption of methanol, in which there is no formation of gas hydrate deposits on the channel inner walls. The practical significance of this study is that it is aimed at reducing the risks associated with the formation of gas hydrates in pipelines. The numerical implementation of a mathematical model of natural gas flow in a horizontal channel is based on a sequential solution of a system of four differential equations by the Runge-Kutta method of 4 orders of accuracy, followed by a search for sequential approximations of the minimum inhibitor flow rate, in which the "gas + water ↔ gas hydrate phase" transition process does not occur on the inner surface of the channel. The article presents a calculation of the proportion of a hydrate formation inhibitor in the liquid phase by solving a cubic equation using the Cardano method. Based on the computational experiments results, graphs were constructed and interpreted of the dependencies of the minimum inhibitor consumption on the soil temperature, inlet gas pressure, total water concentration in the gas flow, initial gas temperature and total gas flow rate.

Combined effect of light and glyphosate herbicide on growth rate of marine diatom algae.

The effect of glyphosate herbicide at concentrations of 25, 100, 150 and 200 μg.L-1 on growth characteristics of diatoms C. caspia and T. weissflogii under accumulative growth conditions was investigated. Increasing herbicide concentration in the medium resulted in growth suppression of both species and decreased the final abundance of the cultures in the stationary growth phase. The calculated concentrations of herbicide EC10 and EC50 (10 and 90 μg.L-1 for C. caspia and 7 and 25 μg·L-1 for T. weissflogii, respectively) led to a 10 and 50% reduction in the abundance of the studied cultures relative to the control, are ecologically significant and correspond to the values recorded in aquatic areas. The combined effect of light (in the range of 20-250 µE.m-2.s-1) and glyphosate (calculated concentrations of EC10 and EC50) on the growth characteristics of microalgae was evaluated. An increase in algal sensitivity to light was observed with glyphosate exposure. In both species, the increase in the concentration of glyphosate in the medium led to a decrease in the initial angle of slope of the light curve of growth under conditions of light limitation, a reduction in the value of light saturation of growth, narrowing of the boundaries of the light optimum and an increase in the degree of light inhibition. It is shown that the effect of the combined action of light and glyphosate exceeds the sum of the effects of each factor. This fact should be taken into account in ecotoxicological monitoring when assessing the risks of glyphosate ingress into aquatic ecosystems. An increase in glyphosate concentration in water during periods with high values of solar insolation is potentially dangerous due to a decrease in the photosynthetic activity of algae and a reduction in diatom algae abundance.

A reactive neural network framework for water-loaded acidic zeolites

Under operating conditions, the dynamics of water and ions confined within protonic aluminosilicate zeolite micropores are responsible for many of their properties, including hydrothermal stability, acidity and catalytic activity. However, due to high computational cost, operando studies of acidic zeolites are currently rare and limited to specific cases and simplified models. In this work, we have developed a reactive neural network potential (NNP) attempting to cover the entire class of acidic zeolites, including the full range of experimentally relevant water concentrations and Si/Al ratios. This NNP has the potential to dramatically improve sampling, retaining the (meta)GGA DFT level accuracy, with the capacity for discovery of new chemistry, such as collective defect formation mechanisms at the zeolite surface. Furthermore, we exemplify how the NNP can be used as a basis for further extensions/improvements which include data-efficient adoption of higher-level (hybrid) references via Δ-learning and the acceleration of rare event sampling via automatic construction of collective variables. These developments represent a significant step towards accurate simulations of realistic catalysts under operando conditions.

Monitoring and Assessment of the Quality of Chlorinated Water in Schools

All water destined for human consumption must be subjected to disinfection processes via chlorination with the aim of eliminating the risk of the transmission of waterborne diseases. However, the treatment of water using this method leads to the formation of trihalomethanes (THMs), which are toxic compounds that may be ingested, inhaled, or absorbed by the skin, increasing the risk of carcinogenic and mutagenic processes. High trihalomethane concentrations in water may be directly related to physicochemical properties, such as temperature, pH, hardness, and potentially toxic metal concentrations. In this work, physicochemical characterization was performed and water quality was assessed with regard to the presence of trihalomethanes in 17 samples collected from points before and after storage in reservoirs. Atomic absorption spectroscopy to determine potentially toxic metals and the measurement of physicochemical properties demonstrated that all results were in accordance with the standards established by Brazilian legislation. Gas chromatography–mass spectrometry was used to determine levels of trihalomethanes in the water samples (trichloromethane, bromodichloromethane, chlorodibromomethane, and bromoform), which were also in accordance with the limits established by Brazilian legislation. Hierarchical clustering on principal components confirmed changes in the water quality depending on location. This work constitutes a paradigm for future studies on the monitoring of toxic organic compounds in water to avoid health problems in humans and animals.

Monitoring the Phenolic and Terpenic Profile of Olives, Olive Oils and By-Products throughout the Production Process.

Olive oil is a food of great importance in the Mediterranean diet and culture. However, during its production, the olive oil industry generates a large amount of waste by-products that can be an important source of bioactive compounds, such as phenolic compounds and terpenes, revalorizing them in the context of the circular economy. Therefore, it is of great interest to study the distribution and abundance of these bioactive compounds in the different by-products. This research is a screening focused on phytochemical analysis, with particular emphasis on the identification and quantification of the phenolic and terpenic fractions. Both the main products of the olive industry (olives, olive paste and produced oil) and the by-products generated throughout the oil production process (leaf, "alpeorujo", liquid and solid residues generated during decanting commonly named "borras" and washing water) were analyzed. For this purpose, different optimized extraction procedures were performed for each matrix, followed by high-performance liquid chromatography coupled with electrospray time-of-flight mass spectrometry (HPLC-ESI-TOF/MS) analysis. Although no phenolic alcohols were quantified in the leaf and the presence of secoiridoids was low, this by-product was notable for its flavonoid (720 ± 20 µg/g) and terpene (5000 ± 300 µg/g) contents. "Alpeorujo" presented a complete profile of compounds of interest, being abundant in phenolic alcohols (900 ± 100 µg/g), secoiridoids (4500 ± 500 µg/g) and terpenes (1200 ± 100 µg/g), among others. On the other hand, while the solid residue of the borras was the most abundant in phenolic alcohols (3700 ± 200 µg/g) and secoiridoids (680 ± 20 µg/g), the liquid fraction of this waste was notable for its content of elenolic acid derivatives (1700 ± 100 µg/mL) and phenolic alcohols (3000 ± 300 µg/mL). Furthermore, to our knowledge, this is the first time that the terpene content of this by-product has been monitored, demonstrating that it is an important source of these compounds, especially maslinic acid (120 ± 20 µg/g). Finally, the phytochemical content in wash water was lower than expected, and only elenolic acid derivatives were detected (6 ± 1 µg/mL). The results highlighted the potential of the olive by-products as possible alternative sources of a wide variety of olive bioactive compounds for their revalorization into value-added products.

The Ins and Outs of Per- and Polyfluoroalkyl Substances in the Great Lakes: The Role of Atmospheric Deposition.

As part of the Integrated Atmospheric Deposition Network, precipitation (n = 207) and air (n = 60) from five sites and water samples (n = 87) from all five Great Lakes were collected in 2021-2023 and analyzed for 41 per- and polyfluoroalkyl substances (PFAS). These measurements were combined with other available data to estimate the mass budget for four representative compounds, PFBA, PFBS, PFOS, and PFOA for the basin. The median Σ41PFAS concentrations in precipitation across the five sites ranged between 2.4 and 4.5 ng/L. The median Σ41PFAS concentration in lake water was highest in Lake Ontario (11 ng/L) and lowest in Lake Superior (1.3 ng/L). The median Σ41PFAS concentration in air samples was highest in Cleveland at 410 pg/m3 and lowest at Sleeping Bear Dunes at 146 pg/m3. The net mass transfer flows were generally negative for Lakes Superior, Michigan, and Huron and positive for Lakes Erie and Ontario, indicating that the three most northern lakes are accumulating PFAS and the other two are eliminating PFAS. Atmospheric deposition is an important source of PFAS, particularly for Lake Superior.