Navigating the molecular landscape of environmental science and heavy metal removal: A simulation-based approach

Journal of Molecular Liquids, Journal Year: 2024, Volume and Issue: 410, P. 125592 - 125592

Published: July 20, 2024

Heavy metals pose a significant threat to ecosystems and human health because of their toxic properties ability bioaccumulate in living organisms. Traditional removal methods often fall short terms cost, energy efficiency, minimizing secondary pollutant generation, especially complex environmental settings. In contrast, molecular simulation offer promising solution by providing in-depth insights into atomic interactions between heavy potential adsorbents. This review highlights the for removing types pollutants science, specifically metals. These powerful tool predicting designing materials processes remediation. We focus on specific like lead, Cadmium, mercury, utilizing cutting-edge techniques such as Molecular Dynamics (MD), Monte Carlo (MC) simulations, Quantum Chemical Calculations (QCC), Artificial Intelligence (AI). By leveraging these methods, we aim develop highly efficient selective unravelling underlying mechanisms, pave way developing more technologies. comprehensive addresses critical gap scientific literature, valuable researchers protection health. modelling hold promise revolutionizing prediction metals, ultimately contributing sustainable solutions cleaner healthier future.

Language: Английский

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Impacts of irrigation with Cd-contaminated water from Sugovushan Reservoir, Azerbaijan on total cadmium and its fractions in soils with varied textures

EURASIAN JOURNAL OF SOIL SCIENCE (EJSS), Journal Year: 2024, Volume and Issue: 13(2), P. 145 - 152

Published: Jan. 15, 2024

Cadmium (Cd) presents a significant environmental threat due to its toxic nature and propensity accumulate in various organs, posing serious health risks upon human exposure. This study focuses on the Sugovushan reservoir Azerbaijan, aiming comprehensively understand Cd behavior soils subjected varying water levels, shedding light intricate interplay between quality soil content. Soil samples with distinct textures were collected from agricultural area Azerbaijan an incubation experiment. The experiment, conducted at 20±0.5°C for 10 days, involved four levels (%100, %75, %50, %25 of field capacity) randomized complete block design. Cd-contaminated was applied, inorganic fractions determined after incubation. sequential extraction method, as per Shuman's procedure, employed assess distribution exchangeable (EX-Cd), organic (OM-Cd), Mn oxide (MnO-Cd), amorphous Fe (AFeO-Cd), crystalline (CFeO-Cd) fractions. exhibited (Sandy Clay Loam, Silty Clay) alkaline reactions, differing salinity, low matter Despite somewhat elevated total (1.75–2.66 mg/kg), remained below 3 mg/kg contamination threshold. Water reservoir, though alkaline, contained concentrations exceeding use limits. Incubation increased content all soils, SaCL exhibiting highest susceptibility. Notably, showed increase fraction, emphasizing risk. underscores importance texture influencing mobility, especially low-clay-content soils. heightened susceptibility observed highlights potential food safety, need sustainable practices management.

Language: Английский

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Quality assessment of new constructed technosols: Key findings on their biogeochemical and environmental characteristics

Journal of Hazardous Materials, Journal Year: 2025, Volume and Issue: 489, P. 137571 - 137571

Published: Feb. 11, 2025

Language: Английский

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Identification of factors affecting the properties of soils contaminated with Zn(II) and Cu(II) chlorides

Journal of Soils and Sediments, Journal Year: 2025, Volume and Issue: unknown

Published: March 11, 2025

Language: Английский

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Potentially toxic elements in different inorganic and organic fertilizers: A comprehensive review on global perspective and fertilizer-wise differences

Applied Soil Ecology, Journal Year: 2025, Volume and Issue: 209, P. 105996 - 105996

Published: March 13, 2025

Language: Английский

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Mercury poisoning in women and infants inhabiting the Gangetic plains of Bihar: risk assessment

BMC Public Health, Journal Year: 2025, Volume and Issue: 25(1)

Published: April 4, 2025

Abstract Mercury is a persistent, bio-accumulative, and hazardous contaminant. When released into the environment, it accumulates in water sediments, converting to poisonous methylmercury that enters food chain. The present study was carried out habitations from 11 districts of Bihar (India). In study, n = 224 lactating women their infants 172 participated. After obtaining written informed consent, breast milk, urine, blood were collected for mercury estimation. breastmilk content measured 181 subjects, which 74% had higher than WHO permissible limit (< 1.7 μg/L), while 26% milk below limit. showed 19% subjects above [20 μg/L]. urine estimation, 49% [10 μg/L], while, 51% child’s 54% μg/L] 46% indicates 20% complete accumulation body highly toxic them. However, (wheat) contamination with [100 μg/kg]. There significant correlation found between mother’s urine. HQ also correlates poisoning effect 100% 66% exceeding non-carcinogenic risk. Monte Carlo multivariate high health risk studied population due poisoning. entire concludes inhabitation Gangetic plains are exposed may be geogenic or anthropogenic sources. But, levels could lead neurogenerative changes mothers infants. To control problem medical intervention immediately required.

Language: Английский

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A Temporal Analysis of Cancer Risk Associated with Cadmium and Arsenic Found in PM 2.5 in the University of Ilorin and its Environs; A probabilistic approach

Research Square (Research Square), Journal Year: 2025, Volume and Issue: unknown

Published: April 16, 2025

As a result of the rapid industrialization various cities in Nigeria, rural-urban migration, and increase population, there has been spike level pollutants getting into atmosphere which is majorly anthropogenic factors such as combustion fuel, usage vehicles, indiscriminate burning refuse, just to mention few. Air pollution become thing concern due health effects associated with it Chronic Obstructive Pulmonary Disease (COPD), Lung Cancer, asthma, etc. This study aimed at analyzing cancer risks PTMs (Cd As) found PM_2.5, Using probabilistic approach. The concentrations that were analysed collected from Surface Particulate Matter Network (SPARTAN) mounted Department Physics, University Ilorin. mean Concentration Cd this site ranged 0.000377μg/m³ 0.00767μg/m³ lowest being recorded March, highest November. For As, concentration 8.67e-05μg/m³ and 0.00329μg/m³ November, March. higher than WHO EU set limits, July (0.00648 μg/m³), August (0.007487 November (0.00767 μg/m3). From Monte Carlo Simulation for Cancer Risk assessment, was out Cd, risk via inhalation value 6.08e-03, least March 3.06e-04 these values cause concern. Via dermal contact, October 1.47e-06, 2.94e-05 all safe zone. Inhalation 2.36e-03, April 1.56e-04, while 3.81e-07, 1.01e-08. These results therefore indicated inhalation, both showed great Risk, but reverse case contact.

Language: Английский

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Potentially Toxic Elements’ Accumulation and Health Risk of Consuming Vegetables Cultivated along the Accra‐Tema Motorway

Journal of Chemistry, Journal Year: 2024, Volume and Issue: 2024(1)

Published: Jan. 1, 2024

Vegetables cultivated close to highways have the potential accumulate potentially toxic elements (PTEs), either through uptake from contaminated soil or via atmospheric deposition vehicular emissions, and pose health risks when ingested by humans. The study investigated concentrations of chromium (Cr), zinc (Zn), nickel (Ni), copper (Cu), cadmium (Cd), manganese (Mn), iron (Fe) in lettuce ( Lactuca sativa ), African eggplant Solanum melongena jute leaves Corchorus olitorius ) at distances 0–10, 50, 200 m risk consuming these vegetables. Vegetable samples were digested using an automated digester, Behrotest model K8, levels analyzed atomic absorption spectrophotometer (AAS) PinAAcle 900T. mean element three vegetables exceeded WHO/FAO recommended limits except for Cu Mn concentrations. estimated decreased with increasing distance edge road 50 distances. hazard index (HI) both children adults was greater than 10 (HI > 10) hence poses a possible if ingested. HI values various leaves, eggplant, where increased road. Of seven PTEs investigated, Cd, Cr, Ni contributed most overall all It further observed that carcinogenic (CR) total (TCR) threshold level CR −6 TCR −4 value found is therefore cultivation along highway should be halted as consumed.

Language: Английский

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Adsorption dynamics of Cd2+(aq) on microwave-synthetized pristine biochar from cocoa pod husk: Green, experimental, and DFT approaches

iScience, Journal Year: 2024, Volume and Issue: 27(6), P. 109958 - 109958

Published: May 10, 2024

Biochar obtained via microwave-assisted pyrolysis (MAP) at 720 W and 15 min from cocoa pod husk (CPH) is an efficient adsorbent of Cd

Language: Английский

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Combined Effect of Gamma Radiation and Heavy Metals on Some Living Organisms

Biological Trace Element Research, Journal Year: 2024, Volume and Issue: unknown

Published: June 22, 2024

Language: Английский

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