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Copper(II) bromide complexes : crystal structures, magnetic properties, and hydrogen-bond-mediated exchange
Žan Zakošek, Evgeny A. Goreshnik, Zvonko Jagličić, Srečo D. Škapin, 2026, original scientific article

Abstract: Copper(II) compounds exhibit interesting magnetic properties due to halide–halide, copper–halide, and intermolecular hydrogen bond interactions. In this study, seven new copper(II) bromide complexes were synthesised, six of which contain Dabco (1,4-diazabicyclo[2.2.2]octane) as a ligand. Single-crystal X-ray diffraction data were refined using both conventional spherical-atom models and a non-spherical-atom approach implemented in NoSpherA2. Magnetic properties were investigated by temperature-dependent magnetic susceptibility and field-dependent magnetisation measurements, analysed using a molecular field approximation. Crystallographic analysis shows that NoSpherA2 significantly improves the description of hydrogen atom positions, yielding C–H and N–H bond lengths closer to neutron diffraction values than conventional refinement. Magnetic measurements indicate that interactions between mononuclear copper(II) centres are determined primarily by the nature of intermolecular exchange pathways rather than copper–copper separations alone. Despite comparable Cu···Cu distances, complexes lacking N–H···Br hydrogen bonds exhibit only weak antiferromagnetic interactions, whereas stronger coupling, effective up to 150 K, is observed when such hydrogen bonds connect neighbouring complexes. These results highlight the importance of hydrogen-bond topology and three-dimensional connectivity in governing magnetic behaviour in mononuclear copper(II) systems.
Keywords: copper(II) complexes
Published in DiRROS: 13.02.2026; Views: 610; Downloads: 224
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Boosting copper biocidal activity by silver decoration and few-layer graphene in coatings on textile fibers
Danaja Štular, Nigel Willy Van de Velde, Ana Drinčić, Polona Kogovšek, Arijana Filipić, Katja Fric, Barbara Simončič, Brigita Tomšič, Raghuraj S. Chouhan, Sivasambu Bohm, Suresh Kr. Verma, P.K. Panda, Ivan Jerman, 2023, original scientific article

Abstract: The outbreak of the Coronavirus disease 2019 (COVID-19) pandemic has highlighted the importance of developing antiviral surface coatings that are capable of repelling pathogens and neutralizing them through self-sanitizing properties. In this study, a novel coating design based on few-layer graphene (FLG) is proposed and silver-decorated micro copper flakes (CuMF) that exhibit both antibacterial and antiviral properties. The role of sacrificial anode surfaces and intrinsic graphene defects in enhancing the release of metal ions from CuMF embedded in water-based binders is investigated. In silico analysis is conducted to better understand the molecular interactions of pathogen-repelling species with bacterial or bacteriophage proteins. The results show that the optimal amount of CuMF/FLG in the coating leads to a significant reduction in bacterial growth, with reductions of 3.17 and 9.81 log for Staphylococcus aureus and Escherichia coli, respectively. The same coating also showed high antiviral efficacy, reducing bacteriophage phi6 by 5.53 log. The antiviral efficiency of the coating is find to be doubled compared to either micro copper flakes or few-layer graphene alone. This novel coating design is versatile and can be applied to various substrates, such as personal protective clothing and face masks, to provide biocidal activity against both bacterial and viral pathogens.
Keywords: antibacterial, antiviral, copper micro flakes, few-layer graphene, pathogen-repelling coating
Published in DiRROS: 16.12.2025; Views: 398; Downloads: 299
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Novel ATP7A splice-site variant causing distal motor neuropathy and occipital horn syndrome: two siblings and literature review
Karin Writzl, Maruša Škrjanec Pušenjak, Matevž Jus, Aleš Maver, Nuška Pečarič-Meglič, Borut Peterlin, Lea Leonardis, 2025, original scientific article

Abstract: Background: Pathogenic hemizygous variants in ATP7A most commonly cause Menkes disease or occipital horn syndrome (OHS), whereas ATP7A-related distal hereditary motor neuropathy (dHMN) is rarely reported. Here, we describe two adult brothers with an overlapping dHMN/OHS phenotype caused by a novel ATP7A splice-site variant and review the clinical and genetic features of previously published patients with ATP7Arelated dHMN. Methods: We performed detailed clinical, electrophysiological, and genetic evaluations of both siblings, including exome sequencing and RNA analysis. Additionally, we reviewed the clinical, electrophysiological, and genetic data of previously reported patients with ATP7A-related dHMN. Results: We identified a novel hemizygous ATP7A splice-site variant (NM_000052.7:c.1544-2A>T) in both brothers. The younger brother, who exhibited a more severe phenotype, presented in early childhood with mild global developmental delay, intellectual disability, and chronic diarrhea, while the older brother had childhood-onset chronic diarrhea without cognitive impairment. Both developed distal hereditary motor neuropathy later in life, and imaging revealed occipital horns. Serum copper and ceruloplasmin levels were mildly reduced. RNA sequencing revealed two aberrant transcript isoforms resulting from the splice-site variant, one of which may produce a partially functional protein. Review of previously reported patients shows that ATP7A-related dHMN may occur isolated or with overlapping features of OHS. In patients with the overlapping phenotype, chronic diarrhea was often the first symptom, followed by slowly progressive dHMN. Conclusions: Previously reported ATP7A-related dHMN has been mostly associated with missense variants. Our findings expand the mutational spectrum by identifying a splice-site variant. In patients with an overlapping OHS/dHMN phenotype, diagnosis was typically delayed for decades, suggesting this presentation remains underdiagnosed.
Keywords: ATP7A, splice-site variant, distal hereditary motor neuropathy, occipital horn syndrome, copper metabolism, neurogenetics
Published in DiRROS: 05.12.2025; Views: 882; Downloads: 279
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Effect of sulfide in a 0.2 M NaCl solution on copper and pre-oxidized copper in oxic conditions
Klara Prijatelj, Tadeja Kosec, 2025, original scientific article

Abstract: This study investigated copper and pre-oxidized copper immersed in 0.2 M NaCl solutions containing different concentrations of sulfide ions. In order to investigate the corrosion processes, the corrosion potential and electrochemical impedance at room temperature and at an elevated temperature were measured for 24 h during and after exposure to the chloride solution with different sulfide concentrations in aerated conditions. The surfaces of the pre-oxidized copper were characterized by scanning electron microscopy, energy dispersive X-ray spectroscopy (EDS), a focused ion beam scanning electron microscopy (FIB-SEM), and Raman spectroscopy. It was shown that the concentration of sulfide ions in the chloride environments, in addition to the temperature itself, greatly affect the film formation in oxic conditions. The thickness of the films observed corresponds well to those calculated using cathodic stripping voltammetry. The mechanism of corroding copper in chloride/sulfide system was proposed.
Keywords: copper, pre-oxidized copper, chloride and sulfide environment, electrochemical properties, surface characterization, Raman, cyclic voltammetry
Published in DiRROS: 29.08.2025; Views: 764; Downloads: 527
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The importance of chemical transformations of adsorbed molecules for corrosion inhibition : mercaptobenzimidazoles on copper
Anton Kokalj, Erik Gregori, Barbara Kapun, Ingrid Milošev, 2025, original scientific article

Abstract: This study investigates whether mercaptobenzimidazoles act as thiolates in inhibiting copper corrosion. To this end, we examined three mercaptobenzimidazole derivatives — 2-mercaptobenzimidazole (SH-BimH), 2-mercapto-1-methylbenzimidazole (SH-BimMe), and 2-(methylthio)benzimidazole (Me-S-BimH) — as corrosion inhibitors for copper in 3 wt% NaCl solution using a combined experimental and computational approach. Me-S-BimH has a thiol group (single bondSH) replaced by a methylthio group (single bondSCH ), which should prevent the formation of surface thiolates. In contrast, SH-BimMe has the same molecular formula as Me-S-BimH, but its methyl group does not cap the thiol group. Corrosion experiments reveal that after 1 h of immersion, Me-S-BimH is considerably less effective than SH-BimH and SH-BimMe at inhibiting copper corrosion. However, after 100 h of immersion, Me-S-BimH performs comparably to SH-BimH and SH-BimMe. This delayed effectiveness suggests that a molecular transformation activates Me-S-BimH over time. To explore this phenomenon, we performed a detailed DFT study of potential chemical transformations of adsorbed Me-S-BimH. Most transformations are exothermic, but only molecular deprotonation and Csingle bondS bond cleavage between the azole ring and the methylthio group exhibit sufficiently low activation barriers to occur at room temperature. Similar deprotonation and Csingle bondS bond cleavage reactions occur also for SH-BimH and SH-BimMe, leading to more strongly bound species than their intact molecular forms. Due to these transformations, Me-S-BimH and SH-BimH eventually result in the same strongly bound species, while SH-BimMe forms an analogous species. These findings may explain why, over time, all three compounds exhibit similar corrosion inhibition characteristics, and highlight the importance of chemical transformations of adsorbed molecules in corrosion inhibition.
Keywords: copper, corrosion inhibition, electrochemical measurements
Published in DiRROS: 25.08.2025; Views: 735; Downloads: 435
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Dataset for the article Effect of sulfide in a 0.2 M NaCl solution on copper and pre-oxidized copper in oxic conditions
Klara Prijatelj, Tadeja Kosec, 2025, complete scientific database of research data

Abstract: This dataset supports the tables and figures in the article Effect of sulfide in a 0.2 M NaCl solution on copper and pre-oxidized copper in oxic conditions Effect of sulfide in a 0.2 M NaCl solution on copper and pre-oxidized copper in oxic conditions (https://doi.org/10.1016/j.surfin.2025.107387). The data set contains experimental data for copper and pre-oxidized copper samples exposed to chloride solution (0.2 M Cl–) with different sulfide concentrations (5·10–6 M SH– and 1·10–4 M SH–) at room temperature (22 ± 2 °C) and elevated temperature (60 °C). Corrosion potential was monitored over a period of 24 hours. After 24 h immersion, electrochemical impedance spectroscopy was performed to observe the properties of the surface film formed on the copper and the pre-oxidized copper. The dataset also includes images of pre-oxidized samples after 24 hours immersion in different solutions, original Raman spectra and Raman images, XPS data and images data from the scanning electron microscope and images of cross-section of samples. The dataset was also used for the model of corroding system (Figure 13)
Keywords: copper, pre-oxidized copper, chloride and sulfide environment, electrochemical properties, surface characterization, Raman, cyclic voltammetry
Published in DiRROS: 11.08.2025; Views: 943; Downloads: 683
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