Metals Zn Research Articles

Viscoelastic Soft Solid Electrolytes Enable Fast Zinc Ion Conductance and Highly Stable Zinc Metal Anode

AbstractAchieving both high ionic conductance and stable Zn metal anode simultaneously remains a challenge with current liquid and solid electrolytes. Here, a viscoelastic soft solid electrolyte (VSSE) strategy is presented that effectively balances Zn ion conduction and Zn anode stability. The VSSE is created by nano‐SiO2 inducing a liquid‐to‐solid transition in a liquid solution containing Zn(BF4)2 salt dissolved in an oligomer (glycerol polyoxyethylene‐b‐oxypropylene ether, GPE) and water. The plentiful oxygen functional group in VSSE provides enough hydrogen bonding sites for water molecules to be completely hydrogen‐bonded to form a state without free water. The bound water serves as a Zn‐O coordination modulator that can weaken the strong Zn‐O coordination, lowering the dissociation energy for Zn ions, realizing fast Zn ion decoupling motion mode. Consequently, the VSSE gives impressive Zn ion conductance of (2.28 ± 0.07) ×10−3 S cm−1 at room temperature 10–1000 times higher than reported solid polymer electrolytes. Simultaneously, the restricted molecular activity of bound water allows for excellent storage/cycle life of the Zn metal anode, which is confirmed by remarkably improved storage life (720 h), shelving‐recovery lifespan (850–1200 h), and cycling life (1400–2050 h). This study offers fresh perspectives on multifunctional electrolyte design strategies based on soft‐matter science.

IDENTIFICATION OF HEAVY METAL Cu AND Zn IN THE MEAT OF NILE TILAPIA (Oreochromis niloticus) AT IPAL BOJONGSOANG, BANDUNG REGENCY, WEST JAVA

The Bojongsoang Wastewater Treatment Plant (IPAL) in Bojongsoang District, Bandung Regency, West Java, is a facility that processes wastewater from the city of Bandung. In the IPAL pond, there are Nile tilapia that live there and can serve as bioindicators of water quality. However, these fish are utilized by the surrounding community through fishing and netting for consumption and sale. This study aims to determine the safety level of Nile tilapia (Oreochromis niloticus) meat in the Bojongsoang IPAL based on the content of heavy metals Cu and Zn. The research was conducted from May to October 2024. The method used is a survey method with purposive sampling technique conducted at four pond sample collection locations. The accumulated heavy metal content in the Nile tilapia meat from the Bojongsoang IPAL Treatment Pond is as follows: Cu (0.1649 mg/kg, 0.1199 mg/kg, 0.1896 mg/kg, 0.1825 mg/kg) and Zn (2.5308 mg/kg, 1.9651 mg/kg, 2.3628 mg/kg, 2.5125 mg/kg). The levels of these heavy metals are still below the maximum limits set by Ditjen POM RI in 1989, indicating that the Nile tilapia meat collected from the Bojongsoang IPAL Treatment Pond is still safe for consumption based on its Cu and Zn heavy metal content.

The Effectiveness of an Anoxic-Oxic-Anoxic-Oxic Sequencing Batch Reactor System (A2/O2-SBR) to Treat Electroplating Wastewater and the Bacterial Community within the System

This study presents an examination of the effectiveness of an anoxic-oxic-anoxic-oxic sequencing batch reactor (A2/O2-SBR) for treating electroplating wastewater (EPWW). The A2/O2-SBR was monitored for 60 days and the bacterial composition in the treatment system was determined. The system consisted of four reactors, which had the following anoxic/oxic ratios: reactor-I, 0:9 h; reactor-II, 2:7 h; reactor-III, 4.5:4.5 h; and reactor-IV, 7:2 h. The combined cycle time of the reactors was 12 h, the hydraulic retention time (HRT) was five days, and the total volume of mixed liquor suspended solids (MLSS) was 2,000 mg/L. The results demonstrate the importance of an anoxic period for the treatment of heavy metals. Most of the ammonium nitrogen (NH4+-N), Total Kjeldahl nitrogen (TKN), and total nitrogen (TN) were removed during the oxic period. However, as the anoxic period increased, the amounts of TKN, nitrite nitrogen (NO2--N), nitrate nitrogen (NO3--N), and TN declined. Reactor-IV showed a high removal efficiency for heavy metals (Zn2+, 89.74%; Cd2+, 81.37%), TKN (89.20%), and TN (84.25%), and also effectively treated NH4+-N (78.84%), biochemical oxygen demand (BOD5; 93.5%), and chemical oxygen demand (COD; 84.9%). Reactor-IV showed an appropriate difference in the dissolved oxygen (DO) concentration between the anoxic period and oxic period (2.12-2.00 mg/L). The main bacterial phyla in the treatment system were Proteobacteria, Actinobacteria, and Firmicutes, while Pseudomonas vancouverensis and Cryobacterium arcticum were the most common species. The anoxic period and bacterial community have significantly demonstrated the ability to remove Zn2+ and Cd2+ for effective treatment of EPWW.

HEAVY METALS BIOACCUMULATION IN SELECTED FISH SPECIES OF RIVER GONGOLA AT YAMALTU DEBA, GOMBE STATE, NIGERIA

This study was aimed to determine the level of heavy metals in water and the bioaccumulation factor of heavy metals in selected fish species (Bagrus bayad macropterus, Oreochromis niloticus and Clarias gariepinus) of River Gongola, Gombe State. Water and fish samples were collected from two locations for 18 months (Dec. 2021- May 2023). Water and fish samples were analysed for heavy metals (Cu, Cd, Cr, As, Ni, Mn, Fe and Zn) concentration using an Atomic Absorption Spectrophotometer (AAS). Bioaccumulation factors of heavy metals were determined in the selected fish species. The Cd, As and Mn concentrations in water exceeded the recommended standards. The levels of heavy metals varied significantly among fish organs. The liver had the highest concentration of most metals, followed by the gills and the muscles. The levels of heavy metals in the fish tissues were below standard limits. However, Zn was reported to have the highest concentration in all the tissues studied. The BAF values calculated were mostly < 1, indicating no probability of bioaccumulation except for Fe in B. bayad macropterus and C. gariepinus and As in C. gariepinus Periodic monitoring of the water and biota of the river is recommended to ensure the safety of these resources for consumer use.

A Three‐Tiered Golf Anode towards Ultralong‐Life Zn‐Mn Aqueous Batteries

Zn‐Mn aqueous batteries (ZMABs) are widely recognized as a promising candidate for large‐scale energy storage due to their cost‐effectiveness, high safety and environmental friendliness. However, the practical application of ZMABs is hindered by inherent electrical contact loss, hydrogen evolution and dendrite growth on traditional anodes. Here, a three‐tiered golf anode with high conductivity is developed to simultaneously enhance the reversibility of Zn and Mn metals. The three‐tiered golf anode is achieved by inner zinc powder, intermediate carbon and outer bismuth layer, which can effectively enhance the Gibbs free energy and mitigate the volume change of the anode, thus enabling stable Zn‐Mn cycling. As a proof of concept, Zn‐Mn full cells (coupled to CNT@MnO2) achieve an ultralong cycle life with 94.6% capacity retention at 2 A g−1 after 16,000 cycles. This study presents valuable insights into the structural design of anodes aimed at enhancing the stability and durability of ZMABs.

A Three-Tiered Golf Anode towards Ultralong-Life Zn-Mn Aqueous Batteries.

Zn-Mn aqueous batteries (ZMABs) are widely recognized as a promising candidate for large-scale energy storage due to their cost-effectiveness, high safety and environmental friendliness. However, the practical application of ZMABs is hindered by inherent electrical contact loss, hydrogen evolution and dendrite growth on traditional anodes. Here, a three-tiered golf anode with high conductivity is developed to simultaneously enhance the reversibility of Zn and Mn metals. The three-tiered golf anode is achieved by inner zinc powder, intermediate carbon and outer bismuth layer, which can effectively enhance the Gibbs free energy and mitigate the volume change of the anode, thus enabling stable Zn-Mn cycling. As a proof of concept, Zn-Mn full cells (coupled to CNT@MnO2) achieve an ultralong cycle life with 94.6% capacity retention at 2 A g-1 after 16,000 cycles. This study presents valuable insights into the structural design of anodes aimed at enhancing the stability and durability of ZMABs.

Regulating Zn Deposition Manner by Confining the Reactivity of Free Water in the Electric Double Layer.

Aqueous Zn ion batteries (AZIBs) are promising candidates of next-generation energy storage devices with high safety and theoretical capacity. However, the irreversibility of metallic Zn anode, attributed to dendrite growth and water decomposition, severely limits the cycling durability of AZIBs and restricts their further development. Herein, a facile surface engineering strategy is put forward to tackle the issue of poor reversibility of the Zn anode. Benzotriazole (BTA) is employed as a functional additive of ZnSO4 electrolyte to confine the reactivity of free water situated in the electric double layer (EDL). Experimental results and theoretical simulation reveal that BTA can preferiencially adsorb onto the Zn surface to uniform Zn2+ ion distribution and alleviate H2O-involved side reactions like hydrogen evolution, and surface passivation. Consequently, in BTA-modulated aqueous electrolyte, the lifespan of the Zn anode is extended from 170 h-1092 h at 1 mA cm-2/1 mAh cm-2. The reversibility improvement of Zn anode also benefits the cycling durability of full devices including supercapacitors and batteries. Zn||I₂ batteries assembled in as-designed electrolyte witness only 11.3 % capacity decay over 17000 cycles at 1 A g-1, far outstripping that observed in ZnSO4 counterpart (~4675 cycles). The design criteria proposed in this study offers a new concept for the development of regulation additives that confine the reactivity of free water in the electric double layer.

Kinetics‐Mediating Artificial Interphase for Ultrafast Zn Metal Anodes

AbstractAchieving long‐term cycling stability of Zn metal anodes at high rates is crucial for the practical applications of aqueous Zn ion batteries. However, the sluggish kinetics of Zn deposition and uncontrollable dendrite growth at the electrolyte/electrode interface will inevitably lead to inferior energy efficiency and limited cycling lifespan. To address these challenges, a consecutive kinetics‐mediating mechanism is proposed through the development of an in situ crafted amorphous zinc pyrophosphate (ZPPO) artificial interphase on the Zn anode (ZPPO@Zn). Experimental and theoretical analyses indicate that the designed interphase can not only drive homogeneous ion diffusion and high Zn2+ enrichment at the reaction interface, but also simultaneously lower the Gibbs free energy of Zn2+ deposition, thus enabling dendrites‐free and kinetics‐boosted Zn electrodeposition under high current densities. Notably, the ZPPO@Zn electrode demonstrates exceptional long‐term lifespans, e.g., over 2800 and 750 h of stable cycling in symmetrical cells at high current densities of 20 and 40 mA cm−2, respectively, with low overpotential. Even under the challenging cycling condition of ultra‐high depth of discharge (DOD) of 80%, a steady cycling over 130 h is maintained. This study provides new insights into the design and optimization of interfacial engineering for fabricating high‐performance Zn metal anodes.

Effects of Intercropped Insectary Plants (Sweet Alyssum, Coriander, and White Mustard) on Elemental Composition and Antioxidant Levels in Broad Bean Plants.

Insectary plants, such as sweet alyssum, coriander, and white mustard, are well known for their traits that attract beneficial insects, allowing them to protect crops from pests. The aim of the study was to analyze the compounds that are important in the antioxidant response, such as malondialdehyde, ascorbic acid, proline, total phenolics, and total flavonoids, as well as the content of elements, including macroelements (K, Mg, Na, Ca, P, and S) and heavy metals (Cd, Cu, Zn, Pb, Ni, Mn, and Fe) in broad bean plants. These plants were grown in field conditions as the main protected plant alongside a mixture of three insectary plants at different proportions of the individual components. The soil was analyzed in terms of the above-mentioned elements, as well as in terms of its enzymatic activity (arylsulfatase, β-glucosidase, dehydrogenase, FDA (fluorescein diacetate), and acid phosphatase). The introduction of insectary plant mixtures did not cause major changes in the content of the elements in the soil. The changes in the content of elements in broad bean leaves depended on the type of element and the proportion of individual components in the companion plant mixture. However, a general trend of increasing macronutrient content was observed, influenced by the presence of companion plants. All types of companion plant mixtures used enhanced the activity of FDA, while the mixture with 50% sweet alyssum additionally caused an increase in arylsulfatase activity (more than 2 fold). The companion plants improved the physiological condition of the protected plant, which was reflected in the reduced content of proline and total flavonoids. Considering the response of the protected plant to the proposed intercropped plant mixtures and their effect on broad bean growth, it appears that the most suitable mixtures are those with an equal share of all three plant species or a mixture with a predominance of sweet alyssum.

Determination of trace heavy metals Content of various herbal drinks marketed in Ilorin Metropolis, Nigeria

The study encompasses an evaluation of the health risk and hazard profiles of heavy metals contents in various herbal drinks (AGBO) products marketed in Ilorin metropolis, Nigeria. Twenty (20) herbal drinks samples from four (4) different study (saw-mil, Osere, Oja-oba and Oke-odo) areas were collected randomly, digested and analyzed. Zinc, Lead, Copper, Iron, Manganese, Cadmium, Chromium and Nickel were analyzed using Atomic Absorption Spectrometer. The results of this study indicated that most of the heavy metals (Zn, Pb, Cu and Mn) in the herbal drinks were below the WHO recommended permissible limits. Chromium (Cr) and Cadmium (Cd) are not detected in all of the herbal drinks analyzed. However, sample C2 and D2 among other analyzed herbal samples contained unsafe concentrations of iron (Fe) and nickel (Ni) that exceeded the WHO recommended permissible limits. From the health point of view, the EDIs value of all the herbal drinks are below the daily reference dose. The non-cancerous (HQ) and hazard index (HI) value of all the herbal samples are less than one (1). Based on the results obtained in this study, there would be a non-carcinogenic health risk and hazard effects to the people taking and consuming the herbal drinks marketed in all the study areas.

Hazard Analysis and Human Health Risk Assessment in the Mytilus Galloprovincialis and Rapana Venosa Species in the Black Sea's Türkiye Coastline by Multivariate Analysis.

In this study; fourteen potentially toxic elements (PTEs) levels are measured in Mytilus galloprovincialis (MG) and in Rapana venosa (RV) intensively consumed in eight cities on the Black Sea coast of Türkiye. Additionally, human health risk levels from mollusks species consumption were assessed using multiple approaches and by Geographical Information Systems, spatial distribution map of PTEs of the region was prepared. The average PTEs levels in the two mollusks species are listed in the following order: Fe > Al > Zn > Cu > As > Mn > B > Cd > Se > Ni > Cr > Pb > Co > Hg with the levels of 114.8 > 79.7 > 39.49 > 9.75 > 5.74 > 3.22 > 2.97 > 2.74 > 0.72 > 0.40 > 0.24 > 0.22 > 0.11 > 0.015µgg-1 ww, respectively. The average concentration level of essential metals (Cu, Mn, Zn, Co and Fe) and toxic metals (Cr, Hg, Ni, Pb, Cd and As) was measured as 238.73µgg-1 ww in RV and 114.86µgg-1 ww in MG. The cities with the highest metal pollution index (MPI) levels were Rize, Samsun, Kastamonu and Sinop, respectively. The MPI values in mollusks soft tissue were 1.25 in MG and 2.51 in RV. For fourteen PTEs, the MPI from metal intake by ingesting two crustacea species were over than 1, indicating risk from consumption. In addition to this, since the THQ value of Cd and hazard index (HI) were determined above 1, it can be said that it does pose public health risk for RV.

Boosting Formate Production in Electrocatalytic CO2 Reduction on Bimetallic Catalysts Enriched with In-Zn Interfaces.

We present an effective strategy for developing the dispersing strong-binding metal In on the surface of weak-binding metal Zn, which modulates the binding energy of the reaction intermediates and further facilitates the efficient conversion of CO2 to formate. The In-Zn interface (In-Zn2) benefits from the formation of active sites through favorable orbital interactions, leading to a Faradaic efficiency of 82.7% and a formate partial current density of 12.39 mA cm-2, along with stable performance for over 15 h at -1.0 V versus the reversible hydrogen electrode. Both in situ Fourier transform infrared spectroscopy and density functional theory calculations show that the In-Zn bimetallic catalyst can deliver superior binding energy to the *OCHO intermediate, thereby fundamentally accelerating the conversion of CO2 to formate. In addition, the exposed bimetallic interface promotes efficient capture and activation of CO2 molecules and the dynamics within the In-Zn catalyst significantly reduce the energy barrier associated with the generation of HCOO-, thus augmenting the selectivity and catalytic activity for formate generation.

Highly Reversible Dendrite-Free Zinc Anode Enabled by a Bilayered Inorganic-Metal Interface Layer.

The unavoidable dendrite growth and side reactions are two major issues that lead to unsatisfactory cycling stability of the Zn metal anode and premature battery failure, which constrains the wide practical application of aqueous Zn-ion batteries. Herein, a bilayered zinc fluoride-indium interface-modified zinc anode (ZnF2-In@Zn) is in situ-constructed to solve these two issues through a simple solution-dipping strategy. The outer ZnF2 layer assures sufficient desolvation of hydrated Zn2+ and even Zn2+ flux; meanwhile, the interior In layer further contributes to the uniform distribution of the electric field and lower energy barrier of Zn2+ nucleation, achieving dendrite-free and side reaction-free Zn deposition. With synergistic regulation from the bilayered composite interface, the ZnF2-In@Zn anode exhibits outstanding cycling stability (over 4200 h at 1 mA cm-2), achieving a cumulative capacity of over 5250 mAh cm-2 even under a high current density of 5 mA cm-2. This work proposes an advanced understanding of reasonable interface engineering for tackling multiple challenges faced by metal anodes.

Hydrochemical characteristics of water quality of the Bystrytsia River basin (Lviv region)

The article investigates the hydrochemical composition of water in the Bystrytsia River basin. The ratio of the main water ions was determined and it was found that along the flow the hydrochemical facies of water changes from HCO3-–Ca2+ to HCO3-–Ca2+–Mg2+. River water has an average mineralization, which increases from 391 mg/l to 463 mg/l. The reaction of the environment in the Bystrytsia River basin is mostly slightly alkaline (pH=8.15) and changes to neutral (pH=7.2) in the village of Hrushiv. Permanganate oxidation of river water in the village of Velyka Ozymyna is higher than in other areas and is associated with the presence of lowland peatlands in this area, which are a source of humic acids. A tendency for a gradual increase in phosphates P–PO43- from the river source to its mouth and sudden changes in the concentration of nitrates N–NO3- has been noted. The contamination coefficients of such biogenic elements are less than 1. Ammonium ions, nitrites and many heavy metals (Zn, Mn, Cu, Co, Ni, Pb) were not detected in the river water of the Bystrytsіa river basin. The water in the Bystrytsia River basin corresponds to class 1 according to the water pollution index (very clean, IW=0.02-0.16) and this indicator is 1.8 times lower than in the Dniester River. The increase in the water pollution index along the river is due to increases in the multiplicity of phosphates in the water. The ecological state of water in the Bystrytsia River basin using the complex indicator СPES was determined to be stable with features of instability (CPESmin=-0.61 and CPESav=0.87), instability was detected in the Novoshytska HPP reservoir, in the villages of Zalokot and Urizh. The negative complex indicator of the ecological state of water in these areas corresponds to the sanitary and toxicological indicators (CPES 3) and is due to the influence of magnesium ions, which dominate over Ca2+ ions in river water, form the HCO3- – Mg2+ or HCO3- – Mg2+ – Ca2+ hydrochemical facies and exceed the permissible content. A stable water state with features of instability has been established in the Dniester and Cherkhavka rivers. According to the IZV, the waters are very clean, but have increased mineralization (>500 mg/l), higher hardness (5.8 and 4.7 mmol-eq/l), stronger acidity (pH=7.2 especially in the Dniester), higher permanganate oxidation (4.2 mg O/l mostly in the Dniester), higher concentration of Fe3+ ions (4.9 μg/ml mostly in the Dniester). The hydrochemical composition of the water is different: HCO3- – Ca2+ – Mg2+ in the Dniester and Ca2+– HCO3- – Na+ in the Cherkhavka. These analytical results would be useful for building a hydrological conceptual model that ensures better use of the natural water system in the Bystrytsia River basin. Key words: Bystrytsia River basin; main ions; biogenic components; chemical oxygen demand; water pollution index; water quality assessment by a complex indicator.

Effects of Cigarette Butt Leachate on the Growth of White Mustard (Sinapis alba L.) and Soil Properties: A Preliminary Study

Cigarette butts (CBs) are emerging soil contaminants, releasing chemicals upon contact with moisture. This study examined heavy metal concentrations leached from smoked and unsmoked CBs (Pall Mall, Philip Morris, and Marlboro) into OECD artificial soil and Vertisol soil and their accumulation in white mustard (Sinapis alba L.). Key physiological parameters, including germination rate, plant height, fresh weight, and dry weight, were analyzed, along with the uptake of heavy metals (Al, Fe, Mn, Zn, Ba, Ti, and Cu) and essential elements (Ca, Mg, Na, and K). Results showed that Mn had the highest bioaccumulation index (BAI = 1.10) in OECD soil, while Zn uptake was consistently high across soil types. Soil type significantly influenced plant height (χ2 = 41.269, p < 0.01) and elemental composition, with Vertisol soil facilitating greater overall growth and heavy metal uptake than OECD soil. MANOVA revealed no three-way interaction among soil type, CB use, and CB brand on elemental uptake. However, two-way interactions, particularly between soil type and CB use (F (4, 39) = 40.233, p < 0.001, Wilk’Λ = 0.195), showed significant effects on heavy metal uptake. These findings highlight the complex interactions influencing plant contamination, underlining the ecological risks of CB pollution in soils.

Trace metal accumulations in commercially important fish and crab species from impacted tropical estuary, India: implications on human health risk assessment.

Despite the beneficial role of aquatic food, bioaccumulation of trace metals can increase health risk for consumers. We conducted a comprehensive study to understand the levels of various trace metals (Cd, Co, Cr, Cu, Fe, Ni, Pb, Zn and Mn) in fish (Nematalosa nasus, Gerres filamentosus, Arius arius, Gerres erythrourus, Sardinella fimbriata, Caranx ignobilis, Etroplus suratensis, Mugil cephalus, Sillago sihama, and Euryglossa orientalis) and crab (Portunus pelagicus and Scylla serrata) species collected from Netravathi-Gurupur estuary, India and evaluated the potential health risks to humans by measuring target health hazard (THQ), hazard index (HI), estimated daily (EDI) and weekly (EWI) intake and cancer risk (CR). The hierarchy of toxic metal content in studied species was Fe>Pb>Cr>Mn>Zn>Cu>Ni>Cd>Co. The concentration of heavy metals were distinctly lower than the threshold value as suggested by World Health Organization and Food Safety and Standards Authority of India, except for Cr and Pb in few species. THQ values were below the acceptable limit. However, the estimated mean HI values were >1 for children, indicating they may be vulnerable to health risk due to continuous consumption of contaminated aquatic species from the study area. In contrast, the cancer risk for Cr, Cd, and Pb was below the acceptable range. Principal component analysis (PCA) discerned nearby petrochemical industry, electroplating industry, pesticides and fertilizer from agricultural runoff, as the potential sources of metal bioaccumulation in different tissues. Although the study reveals that metal contamination in aquatic species does not pose any immediate human health effect, continuous monitoring of the study area is recommended, as some metals have demonstrated their ability to accumulate in the tissues.

The Impact of Heavy Metal Fe, Zn, and Cu in Water and Sediment on the Histopathology of Gills and Liver of Mullet Fish (Crenimugil seheli) at Kamal Beach, Madura Strait

The Impact of Heavy Metal Fe, Zn, and Cu in Water and Sediment on the Histopathology of Gills and Liver of Mullet Fish (Crenimugil seheli) at Kamal Beach, Madura Strait

Microscopic Insights into Zn (002) Epitaxial Electrodeposition in Aqueous Zinc Metal Batteries.

Dendrite growth, corrosion, passivation, and other side reactions during Zn plating and stripping have consistently hindered the capacity and lifespan of Zn metal batteries. In this study, we employ first-principles calculations to unravel the epitaxial electroplating mechanism of Zn (002) planes on various substrate surfaces. We identify six critical factors, including interfacial stability, zincophilicity, surface atomic arrangement, lattice mismatch, responsiveness, and adaptability, that profoundly influence the electrochemical behavior of zinc deposition. Our findings reveal that substrates with hexagonal surface atomic arrangements and strong metallic bonding with zinc, such as (002)-Zn, (111)-Cu, and Ti3C2 MXenes, facilitate uniform and dendrite-free zinc deposition. Notably, lattice contraction induced by substrate lattice mismatch exerts a greater impact on the deposition stability than lattice expansion. Kinetic analyses demonstrate that substrates exhibiting high responsiveness and adaptability can tolerate higher current densities and larger areal capacities, which are crucial for practical applications.

Antioxidative Potential of 3-Methoxyluteolin: Density Functional Theory (DFT), Molecular Docking, and Dynamics-A Combined Experimental and Computational Study.

The current study first describes the antioxidative potential of 3-methoxyluteolin. The experimental result is supported by computational approaches. The studied flavone (IC50 12.40µg/mL) was comparable to ascorbic acid in antioxidative activity against 2,2-diphenyl-1-picrylhydrazyl (DPPH) radicals (IC50 11.38µg/mL). From DFT (density functional theory) calculations, its principal radical mechanism in gas and lipid was the FHT (formal hydrogen transfer), whereas the SPL-ET (sequential proton loss-electron transfer) was the main way in water. Hydroxyl groups were crucial radical scavenging sites, especially at carbon C-4'. Kinetic evidence indicated that the reactions between the studied compound with HOO˙ radicals resulted in the koverall (overall rate constant) of 2.5×109 and 1.07×103(Ms)-1 in water and pentyl ethanoate, respectively. The studied molecule also chelated to Zn metal ion to form Zn(3-methoxyluteolin)2 complex with the lowest binding energy value of -322.911kcal/mol. Considering the neurodegenerative inhibitory potentials of the studied compound, molecular docking results revealed that 3-methoxyluteolin interacted with the active sites of both acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) with the binding affinities of -9.493 and -8.812kcal/mol, respectively, which are stronger than the reference compound tacrine. To assess the structural stability and binding interactions with each studied protein, molecular dynamics simulations were conducted. The results indicated that the 3-methoxyluteolin complexes with AChE and BChE remained stable during a simulation period.

Zoning of Trace Metals Sediments, in the Lagoa do Carro-PE Dam, From TEL/ PEL and ERL/ ERM Parameters

Objective: The objective of this study is to analyze the presence of trace metals (Cd, Hg, Pb, Zn, Cr and Ni), using the TEL and PEL and ERL and ERM parameters of the Environmental Agencies of Canada and the United States, as well as CONAMA Resolution 357/05, in the bottom sediments of the Lagoa do Carro Dam, in the state of Pernambuco. Theoretical Framework: Considered one of the five largest water reservoirs in the state of Pernambuco, located in the Médio Capibaribe microbasin and responsible for supplying a population of approximately 300 thousand inhabitants in the municipalities of Carpina, Feira Nova, Glória do Goitá, Lagoa de Itaenga, Lagoa do Carro and Limoeiro. Method: The methodology adopted for this research includes obtaining the results using FUS-ICP (Fusion Inductively Coupled Plasma), where an oxidized sample is dissolved in a borate stream and then diluted in aqueous nitric acid; TD-ICP (Total Digestion Inductively Coupled Plasma and INAA (Instrumental Neutron Activation Analysis). Results and Discussion: The results obtained demonstrate that two of the metals analyzed are above those recommended by the WHO and pose risks to the dam's biota, as well as to users of the supply system. The numbers are well above acceptable limits, requiring urgent measures to maintain the status quo. Research Implications: The practical and theoretical implications of this research are discussed, providing insights into how the results can be applied or influence practices in the field of Geography and water reservoirs. Originality/Value: This study contributes to the literature by standing out for the originality of the research, whether through an innovative approach, new discoveries or practical contributions. The relevance and value of this research are evidenced by analyzing one of the five largest water reservoirs in the state of Pernambuco.