Search Results (174)

Excessive nitrogen export from lowland polders is a key contributor to cultural eutrophication in downstream aquatic ecosystems. This study investigated the spatiotemporal characteristics, migration pathways, and sources of nitrogen pollution in a typical polder system. Eight surface water sampling campaigns were conducted at 13 sites in Quyuan Polder, Dongting Lake, from 2022 to 2023, combining ArcGIS spatial analysis, multivariate statistics, and dual-isotope (δ¹⁵N-NO⁻), δ¹⁸O-NO₃⁻) techniques. Nitrate and ammonium nitrogen dominated the nitrogen pool, accounting for ~76% of total nitrogen. Concentrations were higher in the dry season (2.48 mg/L) than in the wet season (1.89 mg/L) and differed significantly among hydrological periods (p < 0.05). Within the polder, total nitrogen and ammonium nitrogen were elevated, whereas nitrate nitrogen was higher at the outlet, reflecting distinct nitrogen profiles along the hydrological gradient. Nitrogen transport patterns were largely consistent with flow direction, driven by both upstream inputs and in situ generation. Isotopic signatures indicated that nitrate originated mainly from ammonium fertilizer and soil nitrogen, with contributions from manure and sewage. These findings enhance understanding of nitrogen dynamics in lowland catchments and provide a scientific basis for targeted pollution control in polder waters. Full article

Given the outstanding magnetic characteristics of lanthanide ions, the development of mononuclear or multinuclear lanthanide complexes becomes imperative. Previous research showed that a series of mononuclear Dy(III) complexes of rhodamine benzoyl hydrazone Schiff base ligands exhibit remarkable single-molecule magnetic properties and fluorescence. In this study, we used analogous ligands to synthesize lanthanide complexes [Dy(HL¹-o)(NO₃)₂(CH₃OH)₂]NO₃·CH₃OH (complex 1·MeOH) and tetranuclear complexes [Ln₄(L¹-c)₂(L²)₂(μ₃-OH)₂(NO₃)₂(CH₃OH)₄](NO₃)₂·2CH₃CN·5CH₃OH·2H₂O (Ln = Dy, complex 2; Ln = Gd, complex 3). Magnetic susceptibility measurements show that 1·2H₂O is a single-molecule magnet, 2 shows slow magnetic relaxation and 3 is a magnetic cooling material with the magnetic entropy change of 9.81 J kg⁻¹ K⁻¹ at 2 K and 5 T. The theoretical calculations on 1·MeOH indicate that it shows good magnetic anisotropy with the calculated energy barrier of 194.6 cm⁻¹. Full article

The increasing depletion of high-grade nickel sulfide deposits and the growing demand for nickel have intensified global interest in oxidized nickel ores (ONOs), particularly those located in Kazakhstan. This study presents a comprehensive review of the mineralogical and chemical characteristics of ONOs from the Shevchenkovskoye cobalt–nickel ore deposit and other Kazakhstan deposits, highlighting the challenges they pose for conventional beneficiation and metallurgical processing. Current industrial practices are analyzed, including pyrometallurgical, hydrometallurgical, and pyro-hydrometallurgical methods, with an emphasis on their efficiency, environmental impact, and economic feasibility. Special attention is given to the potential of hydro-catalytic leaching as a flexible, energy-efficient alternative for treating low-grade ONOs under atmospheric conditions. The results underscore the necessity of developing cost-effective and sustainable technologies tailored to the unique composition of Kazakhstani ONOs, particularly those rich in iron and magnesium. This work provides a strategic framework for future research and the industrial application of advanced leaching techniques to unlock the full potential of Kazakhstan’s nickel resources. Full article

The synthesis and structural characterization of three new triple-stranded helical complexes ([Dy₂(L²)₃]2Cl∙15H₂O (C1), [Y₂(L²)₃]3(NO₃)Cl∙14H₂O∙DMSO (C2), and [Eu₂(L⁴)₃]∙12H₂O (C3), where L² and L⁴ are ligands derived from pyridoxal hydrochloride and succinic or adipic acid dihydrazides, respectively, were described. The X-ray data, combined with spectroscopic measurements, indicated that L² and L⁴ act as bis-tridentate ligands, presenting two tridentate chelating cavities O,N,O to obtain the dinuclear complexes C1–C3. Their antiviral profile was predicted via in silico calculations in terms of interaction with the structural severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) spike glycoprotein in the down- and up-states and complexed with the cellular receptor angiotensin-converting enzyme 2 (ACE2). The best affinity energy values (−9.506, −9.348, and −9.170 kJ/mol for C1, C2, and C3, respectively) were obtained for the inorganic complexes docked in the model spike-ACE2, with C1 being suggested as the most promising candidate for a future in vitro validation. The obtained in silico antiviral trend was supported by the prediction of the electronic and physical–chemical properties of the inorganic complexes via the density functional theory (DFT) approach, representing an original and relevant contribution to the bioinorganic and medicinal chemistry fields. Full article

Groundwater nitrate (NO₃⁻) contamination has emerged as a critical global environmental issue, posing serious human health risks. This study systematically investigated the hydrochemical processes, sources of NO₃⁻ pollution, the impact of land use on NO₃⁻ pollution, and drinking water safety in an urban area of southwestern China. Thirty-one groundwater samples were collected and analyzed for major hydrochemical parameters and dual isotopic composition of NO₃⁻ (δ¹⁵N-NO₃⁻ and δ¹⁸O-NO₃⁻). The groundwater samples were characterized by neutral to slightly alkaline nature, and were dominated by the Ca-HCO₃ type. Hydrochemical analysis revealed that water–rock interactions, including carbonate dissolution, silicate weathering, and cation exchange, were the primary natural processes controlling hydrochemistry. Additionally, anthropogenic influences have significantly altered NO₃⁻ concentration. A total of 19.35% of the samples exceeded the Chinese guideline limit of 20 mg/L for NO₃⁻. Isotopic evidence suggested that primary sources of NO₃⁻ in groundwater include NH₄⁺-based fertilizer, soil organic nitrogen, sewage, and manure. Spatial distribution maps indicated that the spatial distribution of NO₃⁻ concentration correlated strongly with land use types. Elevated NO₃⁻ levels were observed in areas dominated by agriculture and artificial surfaces, while lower concentrations were associated with grass-covered ridge areas. The unabsorbed NH₄⁺ from nitrogen fertilizer entered groundwater along with precipitation and irrigation water infiltration. The direct discharge of domestic sewage and improper disposal of livestock manure contributed substantially to NO₃⁻ pollution. The nitrogen fixation capacity of the grassland ecosystem led to a relatively low NO₃⁻ concentration in the ridge region. Despite elevated NO₃⁻ and F⁻ concentrations, the entropy weighted water quality index (EWQI) indicated that all groundwater samples were suitable for drinking. This study provides valuable insights into NO₃⁻ source identification and hydrochemical processes across varying land-use types. Full article

The exponential growth in the number of devices connected via the internet has led to the need to achieve granular programmability for increased performance, resilience, reduced latency, and jitter. Software Defined Networking (SDN) and Programming Protocol independent Packet Processing (P4) are designed to introduce programmability into the control and data plane of networks, respectively. Despite their individual potential and capabilities, the performance of combining SDN and P4 remains underexplored. This study presents a comprehensive evaluation of SDN with data plane programmability using P4 (SDN+P4) against traditional SDN with Open vSwitch (SDN+OvS), aimed at answering the hypothesis that combining SDN and P4 strengthens the control and data plane programmability and offers improved management and adaptability, which would provide a platform with faster packet processing with reduced jitter, loss, and processing overhead. Mininet was employed to emulate three distinct topologies: multi-path, grid, and transit-stub. Various traffic types were transmitted to assess performance metrics across the three topologies. Our results demonstrate that SDN+P4 outperform SDN+OvS significantly due to parallel processing, flexible parsing, and reduced overhead. The evaluation demonstrates the potential of SDN+P4 to provide a more resilient and stringent service with improved network performance for the future internet and its heterogeneity of applications. Full article

Balancing food security with fertilizer-driven climate impacts remains critical in intensive agriculture. While organic–inorganic substitution enhances soil fertility, its effects on nitrous oxide (N₂O) and nitric oxide (NO) emissions remain uncertain. This study evaluated N₂O/NO emissions, crop yields, and agronomic parameters in a subtropical wheat–maize rotation under four fertilization regimes: inorganic-only (NPK), manure-only (OM), and partial substitution with crop residues (CRNPK, 15%) or manure (OMNPK, 30%), all applied at 280 kg N ha⁻¹ yr⁻¹. Emissions aligned with the dual Arrhenius–Michaelis–Menten kinetics and revised “hole-in-the-pipe” model. Annual direct emission factors (EF_d) for N₂O and NO were 1.01% and 0.11%, respectively, with combined emissions (1.12%) exponentially correlated to soil nitrogen surplus (p < 0.01). CRNPK and OMNPK reduced annual N₂O+NO emissions by 15–154% and enhanced NUE by 10–45% compared with OM, though OMNPK emitted 1.7–2.0 times more N₂O/NO than CRNPK. Sole OM underperformed in yield, while partial substitution—particularly with crop residues—optimized productivity while minimizing environmental risks. By integrating emission modeling and agronomic performance, this study establishes CRNPK as a novel strategy for subtropical cereal systems, reconciling high yields with low greenhouse gas emissions. Full article

Nitrate (NO₃⁻) pollution resulting from anthropogenic activities represents one of the most prevalent environmental issues in karst spring catchments of northern China. In June 2021, a comprehensive study was conducted in the Jinan Spring Catchment (JSC), where 30 groundwater and surface water samples were collected. The sources and spatial distribution of nitrate pollution were systematically investigated through hydrochemical analysis combined with dual-isotope tracing techniques (δ¹⁵N_NO3 and δ¹⁸O_NO3). Analytical results revealed that the predominant anion and cation sequences were HCO₃⁻ > SO₄²⁻ > Cl⁻ > NO₃⁻ and Ca²⁺ > Na⁺ > Mg²⁺ > K⁺, respectively, with HCO₃·SO₄-Ca identified as the primary hydrochemical type. Notably, the average NO₃⁻ concentration in groundwater (46.62 mg/L) significantly exceeded that in surface water (4.96 mg/L). Among the water samples, 11 locations exhibited substantial nitrate pollution, demonstrating an exceedance rate of 42%. Particularly, the NO₃⁻-N concentrations in both the upstream recharge area and downstream drainage area were markedly higher than those in the runoff area. The spatial distribution of NO₃⁻ concentrations was primarily influenced by mixing processes, with no significant evidence of denitrification observed. The isotopic compositions ranged from −1.42‰ to 12.79‰ for δ¹⁵N_NO3 and 0.50‰ to 15.63‰ for δ¹⁸O_NO3. Bayesian isotope mixing model (MixSIAR) analysis indicated that domestic sewage and manure constituted the principal nitrate sources, contributing 37.1% and 56.9% to groundwater and surface water, respectively. Secondary sources included soil organic nitrogen, rainfall and fertilizer NH₄⁺, and chemical fertilizers, while atmospheric deposition showed the lowest contribution rate. Additionally, potential mixing of soil organic nitrogen with chemical fertilizer was identified. Full article

Nitrate contamination poses a significant global environmental threat, impacting the water quality in surface and groundwater systems. Despite its considerable impact, there remains a lack of comprehensive understanding of nitrate sources and discharge patterns, particularly in the Lake Victoria basin of East Africa. To address this gap, a study was conducted in the Kagera River basin, responsible for 33% of Lake Victoria’s surface inflow. This study utilized δ¹⁵N and δ¹⁸O isotope analysis in nitrate, hydrochemistry, and the Bayesian mixing model (MixSIAR) to identify and quantify nitrate sources. Spatiotemporal data were collected across three seasons: long rains, dry season, and short rains, in areas with diverse land uses. Nitrate isotopic data from water and potential sources were integrated into a Bayesian mixing model to determine the relative contributions of various nitrate sources. Notable spatial variations were observed at sampling sites with concentrations ranging from 0.004 to 3.31 mg L⁻¹. Spatially and temporally, δ¹⁵N-NO₃⁻ values ranged from +6.0% to +10.2‰, whereas δ¹⁸O-NO₃⁻ displayed significant spatial differences with mean ranges from −1% to +7‰. MixSIAR analysis revealed important contributions from manure and sewage sources ranging between 49% and 73%. A boron analysis revealed manure was the main source of nitrates in the manure and sewage. These results show that it is necessary to implement improved manure and sewage management practices, especially through proper waste treatment and disposal systems, to enable informed policy decisions to enhance nitrogen management strategies in riparian East Africa, and to safeguard the region’s water resources and ecosystems. Full article

Five new coordination compounds that included three coordination polymers and two supramolecular complexes were obtained by reactions of different cadmium salts (tetrafluoroborate, nitrate, and perchlorate) with dianiline chromophores, 4,4′-diaminodiphenylmethane (ddpm), and 4,4′-diaminodiphenylethane (ddpe). The crystal structures were studied by single-crystal X-ray analysis. The coordination arrays with the ddpm chromophore included {[Cd(OH)(H₂O)(ddpm)₂](BF₄)}_n (1) as a one-dimensional (1D) coordination garland chain, {[Cd(NO₃)(ddpm)₂](H₂O)(NO₃)}_n (2) as a two-dimensional (2D) coordination layer, and [Cd(bpy)₂(ddpm)₂](ddpm)(NO₃)₂ (3) as a supramolecular complex. The products with the ddpe chromophore were identified as {[Cd(phen)₂(ddpe)](ClO₄)₂}_n (4) in the form of a linear coordination chain and [Cd(phen)₃](ClO₄)₂(ddpe)_0.5(CH₃CN)_0.5 (5) as a supramolecular complex. The extension of coordination arrays in 1, 2, and 4 was achieved via dianiline ligands as bidentate linkers and additionally via bridging of nitrate anions in 2. The diversification of products became possible due to usage of 2,2′-bipyridine (bpy) and 1,10-phenanthroline (phen) as co-ligands forming the terminal corner fragments [Cd(bpy)₂]²⁺, [Cd(phen)₂]²⁺, and [Cd(phen)₃]²⁺ in 3–5, respectively. The assembling of coordination entities occurred via the interplay of hydrogen bonds with the participation of amino groups, water molecules, and inorganic anions. Two dianilines were powerful luminophores in the crystalline phase, while the photoluminescence in 1–5 was considerably weaker than in the pure ddpm and ddpe luminophores and redistributed along the spectrum. Full article

This paper consists of an exploration of the wave structures of the Benjamin–Ono equation along with a $\beta$-time fractional derivative. The model concerned is utilized to demonstrate internal waves of deep-stratified fluids. Bright, rational, periodic, and many more kinds of solutions for waves are achieved by utilizing the extended sinh-Gordon equation expansion (EShGEE) technique and the improved $G^{\prime }/G$-expansion scheme. An influence of fractional-order derivatives was also explored which gives the non-existing results. The Mathematica tool is utilized to gain and verify the results. The results are represented by 3-D, 2-D, and contour graphs. A stability analysis is utilized to confirm that results are precise as well as exact. Modulation instability (MI) is also performed for the steady-state solutions to the concerned model. Full article

In this work, we studied the main decomposition reactions on the ground state of nitromethane (CH₃NO₂) with the CASPT2 approach. The energetics of the main elementary reactions of the title molecule have been analyzed on the basis of Gibbs free energies obtained from standard expressions of statistical thermodynamics. In addition, we describe a mapping method (orthogonalized 3D representation) for the potential energy surfaces (PESs) by defining an orthonormal basis consisting of two $R^n$ orthonormal vectors (n, internal degrees of freedom) that allows us to obtain a set of ordered points in the plane (vector subspace) spanned by such a basis. Geometries and harmonic frequencies of all species and orthogonalized 3D representations of the PESs have been computed with the CASPT2 approach. It is found that all of the analyzed kinetically controlled reactions of nitromethane are endergonic. For such a class of reactions, the dissociation of nitromethane into CH₃ and NO₂ is the process with the lower activation energy barrier (ΔG); that is, the C-N bond cleavage is the most favorable process. In contrast, there exists a dynamically controlled process that evolves through a roaming reaction mechanism and is an exergonic reaction at high temperatures: CH₃NO₂ → [CH₃^…NO₂]* → [CH₃ONO]* → CH₃O + NO. The above assertions are supported by CASPT2 mappings of the potential energy surfaces (PESs) and classical trajectories obtained by “on-the fly” CASSCF molecular dynamics calculations. Full article

We have synthesized novel cobalt(II) and nickel(II) pincer ligand complexes containing novel tridentate ligand precursors that coordinate via oxygen, nitrogen, and oxygen donor atoms. The novel tridentate ONO ligands, which are neutral, incorporate a carbonyl-substituted imidazole functionality and contain R groups of ethyl, isopropyl, or tert-butyl. The ligand precursors were thoroughly characterized using NMR spectroscopy, ESI-MS, and IR spectroscopy. The metal complexes were thoroughly characterized using single crystal X-ray diffraction, elemental analysis, ESI-MS, and cyclic voltammetry. The nickel(II) and cobalt(II) complexes with ethyl, isopropyl, and t-butyl wingtip groups had a pseudo-octahedral geometry about the metal center. The nickel(II) complex with R = isopropyl had a monoclinic lattice with C121 space group (a = 21.7639(8); b = 11.0649(5); c = 10.9225(4); alpha = 90.0 degrees; beta = 90.609(3) degrees; gamma = 90.0 degrees). The cobalt(II) complex with R = ethyl had a monoclinic lattice with P2₁/n space group (a = 17.7907(7); b = 21.5278(6); c = 21.8597(7); alpha = 90.0 degrees; beta = 95.063(3) degrees; gamma = 90.0 degrees). The cobalt(II) complexes were paramagnetic with μ_eff = 1.59 BM (R = ethyl) and 6.67 BM (R = t-butyl). The nickel(II) complex was paramagnetic with μ_eff = 2.59 BM. The ligand precursors and metal complexes are redox-active. Full article

The reaction of thorium nitrate hydrate with 2,6-dipicolinoylbis(N,N-diethylthiourea), H₂L^pic, results in the hydrolysis of the organic ligand and the formation of [Th(2,6-dipicolinolate)₂(H₂O)₄] (1). Hydrolysis can be avoided by the use of [ThCl₄(DME)₂] (DME = 1,2-dimethoxyethane) as the starting material and the exclusion of water. The product, [Th(L^pic)₃]²⁻ (2), crystallizes as diammonium salt in form of yellow crystals in moderate yields. The thorium ion in the complex is nine-coordinate by the central O,N,O donor atoms of three deprotonated {L^pic}²⁻ ligands. The sulfur atoms of the ligands do not bind to the actinide ion, but establish hydrogen bonds to the ammonium counter ions. A similar coordination sphere is also observed in the uranium(IV) complex [UAu₂(L^pic)₃}] (3), which was obtained from a reaction between H₂L^pic, [U₂I₆(1,4-dioxane)₃] and [AuCl(tht)] (tht = tetrahydrothiophene) in the presence of triethylamine. Charge compensation is established by the linear coordination of two Au⁺ ions between each two sulfur atoms of the ligands. The products have been studied by X-ray diffraction and IR spectroscopy. The actinide ions in both {L^pic}²⁻ complexes have coordination number nine, but establish slightly different coordination spheres. Full article

Google Earth Engine (GEE) is a cloud-based platform revolutionizing geospatial analysis by providing access to vast satellite datasets and computational capabilities for monitoring environmental and societal issues. It incorporates machine learning (ML) techniques and algorithms as part of its tools for analyzing and processing large geospatial data. This review explores the diverse applications of GEE in monitoring and mitigating greenhouse gas emissions and uptakes. GEE is a cloud-based platform built on Google’s infrastructure for analyzing and visualizing large-scale geospatial datasets. It offers large datasets for monitoring greenhouse gas (GHG) emissions and understanding their environmental impact. By leveraging GEE’s capabilities, researchers have developed tools and algorithms to analyze remotely sensed data and accurately quantify GHG emissions and uptakes. This review examines progress and trends in GEE applications, focusing on monitoring carbon dioxide (CO₂), methane (CH₄), and nitrous oxide/nitrogen dioxide (N₂O/NO₂) emissions. It discusses the integration of GEE with different machine learning methods and the challenges and opportunities in optimizing algorithms and ensuring data interoperability. Furthermore, it highlights GEE’s role in pinpointing emission hotspots, as demonstrated in studies monitoring uptakes. By providing insights into GEE’s capabilities for precise monitoring and mapping of GHGs, this review aims to advance environmental research and decision-making processes in mitigating climate change. Full article