Model System Research Articles

Azobenzene-Integrated NHC Ligands: A Versatile Platform for Visible-Light-Switchable Metal Catalysis.

A new class of photoswitchable NHC ligands, named azImBA, has been developed by integrating azobenzene into a previously unreported imidazobenzoxazol-1-ylidene framework. These rigid photochromic carbenes enable precise control over confinement around a metal's coordination sphere. As a model system, gold(I) complexes of these NHCs exhibit efficient bidirectional E-Z isomerization under visible light, offering a versatile platform for reversibly photomodulating the reactivity of organogold species. Comprehensive kinetic studies of the protodeauration reaction reveal rate differences of up to 2 orders of magnitude between the E and Z isomers of the NHCs, resulting in a quasi-complete visible-light-gated ON/OFF switchable system. Such a high level of photomodulation efficiency is unprecedented for gold complexes, challenging the current state-of-the-art in photoswitchable organometallics. Thorough investigations into the ligand properties paired with structure-reactivity correlations underscored the unique ligand's steric features as a key factor for reactivity. This effective photocontrol strategy was further validated in gold(I) catalysis, enabling in situ photoswitching of catalytic activity in the intramolecular hydroalkoxylation and -amination of alkynes. Given the significance of these findings and its potential as a widely applicable, easily customizable photoswitchable ancillary ligand platform, azImBA is poised to stimulate the development of adaptive, multifunctional metal complexes.

Nonadiabatic Field with Triangle Window Functions on Quantum Phase Space.

Recent progress on the constraint coordinate-momentum phase space (CPS) formulation of finite-state quantum systems has revealed that the triangle window function approach is an isomorphic representation of the exact population-population correlation function of the two-state system. We use the triangle window (TW) function and the CPS mapping kernel element to formulate a novel useful representation of discrete electronic degrees of freedom (DOFs). When it is employed with nonadiabatic field (NaF) dynamics, a new variant of the NaF approach (i.e., NaF-TW) is proposed. The NaF-TW expression of the population of any adiabatic state is always positive semidefinite. Extensive benchmark tests of model systems in both the condensed phase and gas phase demonstrate that the NaF-TW approach is able to faithfully capture the dynamical interplay between electronic and nuclear DOFs in a broad region, including where the states remain coupled all the time, as well as where the bifurcation characteristic of nuclear motion is important.

Structure-function relationship of oat flour fractions when blended with wheat flour: Instrumental and nutritional quality characterization of resulting breads.

The present work investigated the structure-function relationship of dry fractionated oat flour (DFOF) as a techno-functional ingredient using bread as a model system. Mechanically, DFOF fractions (F), that is, F1: <224µm, F2: 250-280µm, F3: 280-500µm, F4: 500-600µm, and whole oat flour (F5) were blended with white wheat flour at 10%, 30%, and 50% substitution levels for bread making. The blended flours, doughs, and bread samples were assessed for their techno-functional, nutritional, and structural characteristics. The results of Mixolab and the Rapid Visco Analyzer show that the 50% substituted F3 fraction exhibits the highest water absorption properties (69.53%), whereas the 50% F1 fraction exhibits the highest peak viscosity of the past slurry. Analysis of bread samples revealed a lower particle size of DFOF fractions and higher supplementation levels, increased β-glucan levels (0.13-1.29g/100 bread (db), reduced fermentable monosaccharides, that is, glucose (1.44-0.33g/100g), and fructose (1.06-0.28g/100g). The effect of particle size surpassed the substitution level effect on bread volume reduction. The lowest hardness value for F1 is 10%, and the highest value for F2 is 50%. The total number of cells in the bread slice decreased from the control to the F4 fraction (50%). Multi-criteria analysis indicated that DFOF fractions produced breads with similar structure and higher nutritional value developed from white wheat flour. PRACTICAL APPLICATION: The use of mechanically fractionated oat flours fractions in white wheat flour breads can improve the nutritional profile without affecting the physical properties of the bread product. Based on the oat flour fractions, bakers and food processing companies can tailor the bread formulations for high β-glucan, high fiber, and low reduced sugar claims.

Exploring the Mechanisms behind Non-aromatic Fluorescence with the Density Functional Tight Binding Method.

Recent experimental findings reveal nonconventional fluorescence emission in biological systems devoid of conjugated bonds or aromatic compounds, termed non-aromatic fluorescence (NAF). This phenomenon is exclusive to aggregated or solid states and remains absent in monomeric solutions. Previous studies focused on small model systems in vacuum show that the carbonyl stretching mode along with strong interaction of short hydrogen bonds (SHBs) remains the primary vibrational mode explaining NAF in these systems. In order to simulate larger model systems taking into account the effects of the surrounding environment, in this work we propose using the density functional tight-binding (DFTB) method in combination with non-adiabatic molecular dynamics (NAMD) and the mixed quantum/molecular mechanics (QM/MM) approach. We investigate the mechanism behind NAF in the crystal structure of l-pyroglutamine-ammonium, comparing it with the related nonfluorescent amino acid l-glutamine. Our results extend our previous findings to more realistic systems, demonstrating the efficiency and robustness of the proposed DFTB method in the context of NAMD in biological systems. Furthermore, due to its inherent low computational cost, this method allows for a better sampling of the nonradiative events at the conical intersection which is crucial for a complete understanding of this phenomenon. Beyond contributing to the ongoing exploration of NAF, this work paves the way for future application of this method in more complex biological systems such as amyloid aggregates, biomaterials, and non-aromatic proteins.

On the evidence of helico-spiralling recirculation within coherent cores of eddies using Lagrangian approach

Oceanic eddies exhibit remarkable coherence and longevity compared to other transient features in the surrounding flow. They possess the ability to transport properties over extensive distances while maintaining their material identity intact. The Lagrangian Coherent Structure (LCS) framework has proven effective in capturing these coherent eddies, where they display a solid-body-like rotation. Although various LCS approaches have been employed to investigate different facets of coherent eddies, a comprehensive understanding of their three-dimensional structures and internal dynamics remains elusive. This study aims to advance our comprehension of coherent eddies’ structural characteristics and delve into the precise nature of their internal dynamics by utilizing the Lagrangian Averaged Vorticity Deviation approach. Two eddies, one cyclonic and the other anti-cyclonic, were chosen from a high-resolution simulation carried out in the Bay of Bengal using the Regional Ocean Modeling System (ROMS). The findings unveil that these eddies have three-dimensional coherent cores resembling gently tapered cones that are broader at the surface and gradually narrow towards the bottom. Intriguingly, the dynamically coherent core of these eddies exhibits simultaneous upwelling and downwelling while maintaining their volumes during advection due to persistent material coherence. The three-dimensional trajectories followed by the fluid parcels inside the coherent core are helical. Their two-dimensional horizontal projections show alternating spiral bands of upwelling and downwelling which are the manifestations of Vortex Rossby Waves. These observations lead to a conceptual framework of a three-dimensional helico-spiralling recirculation pattern within the coherent cores of eddies.

Efficient and Robust Parameter Optimization of the Unitary Coupled-Cluster Ansatz.

The variational quantum eigensolver (VQE) framework has been instrumental in advancing near-term quantum algorithms. However, parameter optimization remains a significant bottleneck for VQE, requiring a large number of measurements for successful algorithm execution. In this paper, we propose sequential optimization with approximate parabola (SOAP) as an efficient and robust optimizer specifically designed for parameter optimization of the unitary coupled-cluster ansatz on quantum computers. SOAP leverages sequential optimization and approximates the energy landscape as quadratic functions, minimizing the number of energy evaluations required to optimize each parameter. To capture parameter correlations, SOAP incorporates the average direction from previous iterations into the optimization direction set. Numerical benchmark studies on molecular systems demonstrate that SOAP achieves significantly faster convergence and greater robustness to noise compared with traditional optimization methods. Furthermore, numerical simulations of up to 20 qubits reveal that SOAP scales well with the number of parameters in the ansatz. The exceptional performance of SOAP is further validated through experiments on a superconducting quantum computer using a 2-qubit model system.

Enhancing the Conductivity and Thermoelectric Performance of Semicrystalline Conducting Polymers through Controlled Tie Chain Incorporation.

Conjugated polymers are promising materials for thermoelectric applications, however, at present few effective and well-understood strategies exist to further advance their thermoelectric performance. Here a new model system is reported for a better understanding of the key factors governing their thermoelectric properties: aligned, ribbon-phase poly[2,5-bis(3-dodecylthiophen-2-yl)thieno[3,2-b]thiophene] (PBTTT) doped by ion-exchange doping. Using a range of microstructural and spectroscopic methods, the effect of controlled incorporation of tie-chains between the crystalline domains is studied through blending of high and low molecular weight chains. The tie chains provide efficient transport pathways between crystalline domains and lead to significantly enhanced electrical conductivity of 4810 S cm-1, which is not accompanied by a reduction in Seebeck coefficient or a large increase in thermal conductivity. Respectable power factors of 173 µW m-1 K-2 are demonstrated in this model system. The approach is generally applicable to a wide range of semicrystalline conjugated polymers and could provide an effective pathway for further enhancing their thermoelectric properties and overcome traditional trade-offs in optimization of thermoelectric performance.

Multifactoral immune modulation potentiates durable remission in multiple models of aggressive malignancy.

Tumors typically lack canonical danger signals required to activate adaptive immunity and also frequently employ substantial immunomodulatory mechanisms that downregulate adaptive responses and contribute to escape from immune surveillance. Given the variety of mechanisms involved in shielding tumors from immune recognition, it is not surprising that single-agent immunomodulatory approaches have been largely unsuccessful in generating durable antitumor responses. Here we report a unique combination of immunomodulatory and cytostatic agents that recondition the tumor microenvironment and eliminate complex and/or poor-prognosis tumor types including the non-immunogenic 4T-1 model of TNBC, the aggressive MOC-2 model of HNSCC, and the high-risk MYCN-amplified model of neuroblastoma. A course of therapy optimized for TNBC cured a majority of tumors in both ectopic and orthotopic settings and eliminated metastatic spread in all animals tested at the highest doses. Immune responses were transferable between therapeutic donor and naïve recipient through adoptive transfer, and a sizeable abscopal effect on distant, untreated lesions could be demonstrated experimentally. Similar results were observed in HNSCC and neuroblastoma models, with characteristic remodeling of the tumor microenvironment documented in all model systems. scRNA-seq analysis implicated upregulation of innate immune responses and antigen presentation in tumor cells and the myeloid cell compartment as critical early events. This analysis also highlighted the potential importance of the autonomic nervous system in the governance of inflammatory processes. The data indicate that the targeting of multiple pathways and mechanisms of action can result in substantial synergistic antitumor effects and suggest follow-up in the neoadjuvant setting may be warranted.

Chemical Potential Analysis as an Alternative to the van't Hoff Method: Hypothetical Limits of Solar Thermochemical Hydrogen.

The van't Hoff method is a standard approach for determining reaction enthalpies and entropies, e.g., in the thermochemical reduction of oxides, which is an important process for solar thermochemical fuels and numerous other applications. However, by analyzing the oxygen partial pressure pO2, e.g., as measured by thermogravimetric analysis (TGA), this method convolutes the properties of the probe gas with the solid-state properties of the examined oxides, which define their suitability for specific applications. The "chemical potential method" is here proposed as an alternative. Using the oxygen chemical potential ΔμO instead of pO2 for the analysis, this method does not only decouple gas-phase and solid-state contributions but also affords a simple and transparent approach to extracting the temperature dependence of the reduction enthalpy and entropy, which carries important information about the defect mechanism. For demonstration of the approach, this work considers three model systems; (1) a generic oxide with noninteracting, charge-neutral oxygen vacancy defects, (2) Sr0.86Ce0.14MnO3(1-δ) alloys with interacting vacancies, and (3) a model for charged vacancy formation in CeO2, which reproduces the extensive experimental TGA data available in the literature. The reduction behavior of these model systems obtained from the chemical potential method is correlated with simulated results for the thermochemical water splitting cycle, highlighting the exceptional behavior of CeO2, which originates from defect ionization. The theoretical performance limits for solar thermochemical hydrogen within the charged defect mechanism are assessed by considering hypothetical materials described by a variation of the CeO2 model parameters within a plausible range.

Quantum critical fluctuations in a transverse-field Ising magnet

CoNb2O6 is a model system for a spin-1/2 one-dimensional (1D) transverse-field Ising magnet (TFIM) with a rather low three-dimensional (3D) Néel ordering temperature at TN=2.95 K. We studied CoNb2O6 using ultrasound measurements down to 0.3 K in transverse magnetic fields applied along the b direction. Upon entering the 3D ordered state, we observe pronounced anomalies in the transverse acoustic mode c 66. In particular, from 1.3 to 1.5 K and around 4.7 T, this mode reveals an almost diverging softening, which is considerably reduced at lower and higher magnetic fields. We interpret this as an influence of quantum critical fluctuations emerging from the quantum critical point (QCP) of the 1D Ising spin chains at about 4.75 T, which lies below the QCP of the 3D ordering at about 5.4 T. This is clear experimental evidence of the predicted generic phase diagram for a TFIM with superimposed 3D ordering.

Multistate Dynamics and Kinetics of CO2 Activation by Ta+ in the Gas Phase: Insights into Single-Atom Catalysis.

The activation of carbon dioxide (CO2) by a transition-metal cation in the gas phase is a unique model system for understanding single-atom catalysis. The mechanism of such reactions is often attributed to a "two-state reactivity" model in which the high-energy barrier of a spin state correlating with ground-state reactants is avoided by intersystem crossing (ISC) to a different spin state with a lower barrier. However, such a "spin-forbidden" mechanism, along with the corresponding dynamics, has seldom been rigorously examined theoretically, due to the lack of global potential energy surfaces (PESs). In this work, we report full-dimensional PESs of the lowest-lying quintet, triplet, and singlet states of the TaCO2+ system, machine-learned from first-principles data. These PESs and the corresponding spin-orbit couplings enable us to provide an extensive theoretical characterization of the dynamics and kinetics of the reaction between the tantalum cation (Ta+) and CO2, which have recently been investigated experimentally at high collision energies using crossed beams and velocity map imaging, as well as at thermal energies using a selected-ion flow tube apparatus. The multistate quasi-classical trajectory simulations with surface hopping reproduce most of the measured product translational and angular distributions, shedding valuable light on the nonadiabatic reaction dynamics. The calculated rate coefficients from 200 to 600 K are also in good agreement with the latest experimental measurements. More importantly, these calculations revealed that the reaction is controlled by intersystem crossing, rather than potential barriers.

Protocol Standardization of Homeopathic Medicines' Preparation and Dosing for Experimental Model Systems In Vitro.

Protocol Standardization of Homeopathic Medicines' Preparation and Dosing for Experimental Model Systems In Vitro.

Detailed analysis of skull morphology and brain size in crested Padovana chicken (Gallus gallus f.d.)

IntroductionCrested chickens show abnormalities in their anatomy of the skull, endocranium, and brain (including cerebral elongation) and can be appropriate model systems for neuroanatomical evolution, brain–skull integration, and skull and brain deformities. Here, we give a detailed comprehensive description of the skull of crested chickens using the example of the Padovana chicken, including ontogenetic aspects and an allometric analysis of their brain size.MethodsIn total, 109 chickens of two different strains of the Padovana chicken were hatched together. All animals were X-rayed weekly during growth. Nine juvenile (ready for hatch) and 22 adult skulls were processed for histology and morphological descriptions, and a further 20 individuals were processed for brain analysis.ResultsAt hatching, all chicks were already crested, and a distinctive bony protuberance was first observed at the age of 4 weeks. Juvenile chickens exhibit either an open neurocranium or a protuberance. In the adult skull, foramina of different sizes can be found in the frontal bone, but no completely open neurocrania are observed in juveniles. Particularly in Padovana with cranial protuberances, several peculiarities can be observed in the os mesethmoidale, os nasale, os praemaxillare, orbit, and cranial fossae. Additionally, the brain of Padovana with cranial protuberances looks drawn in length with the shape of an hourglass and showed significantly larger encephalization indices than plain-headed breeds, topped only by another crested chicken breed.DiscussionInvestigations on chickens with cerebral elongation may facilitate the understanding of skull and brain dysplasia and may provide meaningful insights into cerebral hernia development. Additionally, crested breeds, combined with standard chickens, form a promising comparative system for investigating the emergence of novel brain and skull morphologies.

The PDI model system for parameterizing soil hydraulic properties

AbstractThe Peters–Durner–Iden (PDI) model system for describing soil hydraulic properties (SHP) has been developed over a decade. Inspired by Rien van Genuchten's seminal work, the PDI system focuses on an efficient and simple parameterization of water retention curves and hydraulic conductivity curves (HCC) across the entire soil moisture spectrum. By combining capillary and non‐capillary components for water retention and conductivity, it aims to reconcile mathematical simplicity and insights on water adsorption and film flow in soils. Recent developments have reduced the number of free parameters of the conductivity model to zero, enhancing the model's applicability in cases of limited data availability. The first reduction was achieved by a prediction of absolute non‐capillary conductivity based on the consideration of film and corner flow on the pore scale, and the second by a prediction of absolute capillary conductivity by a capillary bundle model. This allows a complete characterization of SHP over the entire moisture range with only four retention curve parameters. The inclusion of a maximum pore size in the capillary conductivity model prevents an unrealistic drop of the HCC near saturation. This paper provides a comprehensive overview of the PDI model system, emphasizing its conceptual features and mathematical details. An Excel sheet and a Python code stored in a repository are provided for accessibility.

Optimized porous nanostructure of carbon fibers enabling excellent stability of Pt-based catalysts for oxygen reduction reaction

Facile synthesis of highly-dispersed Pt-based electrocatalysts on porous carbon supports with strong durability is extremely desirable for oxygen reduction reaction but remains challenging. The influence of pores in carbon supports on the stability and activity of catalysts is ambiguous and needs to be elucidated. Targeting this aim, herein, we prepared a series of carbon nanofibers with tunable pore diameter and specific surface area using the resorcinol-formaldehyde (RF) resins as a model system. Homogeneous composite precursors composed of RF resins and silica colloids were synthesized by the surfactant-assisted simultaneous polycondensation of RF resins and tetraethylorthosilicate (TEOS). The diameter of the pores induced by removal of silica could be controllable tailored through thermal treatment of the composite under various target temperatures. Pt3Co alloy nanoparticles loaded on the as-synthesized porous carbon nanofibers were prepared by an optimized wet-impregnation method. The experimental results indicated that the carbon nanofibers with pore size distribution focused on ∼1.27 nm and ∼2.34 nm provided the best stability without limiting current density decay, and negative shift of half-wave potential (E1/2) and mass activity (MA) loss of Pt after 20000 potential cycles are relatively mild. Conversely, negative shift of 21 mV, 15 mV and 22 mV in E1/2 and mass activity loss of 51.8%, 30.2% and 33.0% were observed for the Pt3Co nanoparticles supported on MC-60, MC-100 and MC-140 matrices which have pore size distribution focused on ∼2.73 nm, ∼2.73 nm as well as ∼4.66 nm, and ∼4.66 nm, respectively. This work demonstrates the importance of micropores and small mesopores for activity and long-term stability enhancement of carbon supported Pt-based electrocatalysts.

Atomic-Scale Tracking Topological Phase Transition Dynamics of Polar Vortex-Antivortex Pairs.

Non-trivial topological structures, such as vortex-antivortex (V-AV) pairs, have garnered significant attention in the field of condensed matter physics. However, the detailed topological phase transition dynamics of V-AV pairs, encompassing behaviors like self-annihilation, motion, and dissociation, have remained elusive in real space. Here, we employ polar V-AV pairs as a model system and track their transition pathways with atomic-scale resolution, facilitated by in situ (scanning) transmission electron microscopy and phase field simulations. Our investigation reveals that polar vortices and antivortices can stably coexist as bound pairs at room temperature, and their polarization decreases with heating. No dissociation behavior is observed between the V-AV phase at room temperature and the paraelectric phase at high temperature. However, the application of electric fields can promote the approach of vortex and antivortex cores, ultimately leading to their annihilation near the interface. Revealing the transition process mediated by polar V-AV pairs at the atomic scale, particularly the role of polar antivortex, provides us new insights into understanding the topological phases of matter and their topological phase transitions. Moreover, the detailed exploration of the dynamics of polar V-AV pairs under thermal and electrical fields lays a solid foundation for their potential applications in electronic devices. This article is protected by copyright. All rights reserved.

Modeling polycyclic aromatic hydrocarbons (PAHs) concentrations from wildfires in California

In recent years, wildfires in California have increased in frequency and intensity due to climate change and prolonged drought. The air pollutants released by wildfires cause significant health consequences, among which polycyclic aromatic hydrocarbons (PAHs) are particularly toxic. Estimating PAH emissions from wildfires is challenging due to variability in vegetation types. In this study, we estimate PAH emission rates across California at a high resolution, based on laboratory-measured PAH emission rates from 22 different vegetation types and detailed vegetation mapping. By combining these estimates with biomass burning data from the NCAR Fire Inventory, the Community Multiscale Air Quality Modeling System simulates PAH concentrations for the 2017 fire season. The modeling results compare favorably to measurements from three PAH monitoring sites in California. The peak PAH emissions from wildfire events are up to be 80 times higher in the gas phase and 32 times higher in the particle phase compared to a case without fire emissions. The population-weighted PAH concentrations from the fire case (0.053 µg/m3) are 47 % higher compared to a non-fire case (0.036 µg/m3) in the particle phase and 11 % higher in the gas phase (9.82 ppt compared to 8.83 ppt) during the study period. While highly depended on the meteorological condition, the simulated spatial distribution indicates that gas-phase PAHs are less likely to travel long distances from the fire source and are prone to aging into the particle phase during transport. Consequently, populations are more likely to be exposed to particle-phase PAHs during wildfire events. This finding has important implications for understanding the health impacts of wildfire-induced PAH concentrations, as particle-phase PAHs may have different toxicological effects compared to gas-phase PAHs.

Exploring the Influence of Cold Plasma on Epidermal Melanogenesis In Situ and In Vitro

Epidermal melanin synthesis determines an individual’s skin color. In humans, melanin is formed by melanocytes within the epidermis. The process of melanin synthesis strongly depends on a range of cellular factors, including the fine-tuned interplay with reactive oxygen species (ROS). In this context, a role of cold atmospheric plasma (CAP) on melanin synthesis was proposed due to its tunable ROS generation. Herein, the argon-driven plasma jet kINPen® MED was employed, and its impact on melanin synthesis was evaluated by comparison with known stimulants such as the phosphodiesterase inhibitor IBMX and UV radiation. Different available model systems were employed, and the melanin content of both cultured human melanocytes (in vitro) and full-thickness human skin biopsies (in situ) were analyzed. A histochemical method detected melanin in skin tissue. Cellular melanin was measured by NIR autofluorescence using flow cytometry, and a highly sensitive HPLC-MS method was applied, which enabled the differentiation of eu- and pheomelanin by their degradation products. The melanin content in full-thickness human skin biopsies increased after repeated CAP exposure, while there were only minor effects in cultured melanocytes compared to UV radiation and IBMX treatment. Based on these findings, CAP does not appear to be a useful option for treating skin pigmentation disorders. On the other hand, the risk of hyperpigmentation as an adverse effect of CAP application for wound healing or other dermatological diseases seems to be neglectable.

Febrile disease modeling and diagnosis system for optimizing medical decisions in resource-scarce settings

Febrile diseases are highly prevalent in tropical regions due to elevated humidity and high temperatures. These regions, mainly comprising low- and middle-income countries, often face challenges related to inadequate medical infrastructure and a lack of skilled personnel for accurately diagnosing febrile diseases. Distinguishing one febrile illness from another posed a significant challenge, adding to the complexity of accurate diagnoses. This study developed a multi-symptom multi-disease model to address this challenge, leveraging exploratory data analysis of patient datasets from field studies and the expertise of medical practitioners specializing in tropical diseases. The research investigated the most effective modeling approach for differentiating among 11 febrile illnesses that are prevalent in Nigeria using three intelligent techniques: Extreme Gradient Boost (XGBoost), Fuzzy Cognitive Map (FCM), and Analytic Hierarchy Process (AHP). Comparative analysis demonstrates that AHP surpassed the others, achieving a precision of 84%, recall of 83%, and an F1-score of 84%. Consequently, the AHP technique was integrated into the development of “Febra Diagnostica,” an app aimed at enhancing febrile disease diagnosis in resource-constrained settings. The app was then deployed and utilized in select Nigerian states, offering scalability and empowering frontline health workers in primary health facilities. Febra Diagnostica featured user-friendly interfaces, automated diagnosis and treatment suggestions, streamlined referrals, and provisions for further investigations. Encryption, access control, and multi-factor authentication were some of the security and privacy considerations in the app which gained acceptance from medical experts and adapted to regulatory and ethical policies for smart healthcare systems.

Quantitative monitoring of pollution in Mitrovica Lake using empirical model and geographic information science & systems

ABSTRACT Continuous monitoring of water is crucial for assessing its quality. This paper aims to evaluate water quality in the Artificial Lake of Mitrovica, an area known for heavy metal pollution due to nearby industrial activities. To achieve this, we conducted a comprehensive year-long investigation of the lake, involving the assessment of water quality, spatial analysis, and pollutant evaluation at six different sampling locations, collected in April, June, and September to ensure consistent monitoring. We utilised atomic absorption spectroscopy (AAS) to measure concentrations of arsenic, chromium, copper, nickel, lead, zinc, and cadmium. Indices such as the Heavy Metal Pollution Index (HPI) and Metal Index (MI) were used to assess water quality. Additionally, spatial analysis was conducted using QGIS and Ordinary Kriging to visualise contamination levels across the study area. While many water parameters met international standards, certain sites, particularly those with lead concentrations (Pb2+), exceeded permissible limits, indicating areas of potential concern. This study offers valuable insights for policymaking at both local levels in Mitrovica as well as nationally in Kosova. The study overall emphasises the importance of addressing heavy metal pollution in the region.