1. Anharmonic quantum effects of implanted muons : route to probing nuclear quantum behavior in solidsFabian Hotz, Matjaž Gomilšek, Tina Arh, Thomas Hicken, Polona Umek, Andrej Zorko, Hubertus Luetkens, 2026, izvirni znanstveni članek Povzetek: The quantum behavior of light particles in solids gives rise to phenomena that cannot be captured by a classical description. We show that muon spin spectroscopy (μSR), when paired with a quantum-mechanical treatment of the implanted muon, becomes a sensitive and direct probe of nuclear quantum effects. By modeling the muon as a spatially extended quantum particle, our approach captures strong anharmonic behavior. We demonstrate this in Zn-barlowite, which serves as a nontrivial test case due to its structurally complex lattice and the presence of both fluorine and hydroxyl groups. Our results establish a route for extracting nuclear quantum signatures from μSR data and open different opportunities for studying light nuclei such as hydrogen and lithium in systems where quantum fluctuations shape structure and function.
Ključne besede: defects, magnetic interactions, magnetization dynamics, spin dynamics, density functional theory, muon spin resonance
Objavljeno v DiRROS: 19.06.2026; Ogledov: 58; Prenosov: 47
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2. In silico characterisation of a novel SARS-CoV-2 envelope protein inhibitor and in vitro validation against murine coronavirusNina Kobe, Lennart Dreisewerd, Miha Lukšič, Matic Pavlin, Uroš Grošelj, Črtomir Podlipnik, Mojca Janc, Živa Lengar, Polona Mrak, Magda Tušek-Žnidarič, Maruša Pompe Novak, Urška Kuhar, Peter Hostnik, Federica Dattola, Tea Carletti, Alessandro Marcello, Polona Kogovšek, 2026, izvirni znanstveni članek Povzetek: The emergence of new severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) variants poses a challenge to current therapies and emphasises the need for targets that are less susceptible to mutation. The SARS-CoV-2 envelope protein (Epro) is a highly conserved viroporin and is of central importance to the viral life cycle, yet it remains underexplored as a therapeutic target. In this study, we have identified and characterised a novel lead candidate (LC) − (S)-N-(2-((1S,3S,5S,7S)-adamantan-2-yl)ethyl)-2-(butylamino)-3-(1H-indol-3-yl)propanamide − for inhibition of the SARS-CoV-2 Epro ion channel using combined in silico and in vitro approaches. Molecular dynamics (MD) simulations showed that LC forms stable complexes at the N-terminal vestibule, with key interactions at GLU8, THR9, THR11, ASN15, and LEU18, and a calculated binding affinity higher than that of the reference compound rimantadine within the applied MD/molecular mechanics Poisson–Boltzmann surface area (MM-PBSA) framework. Results of in vitro experiments indicated that LC inhibits the model coronavirus murine hepatitis virus at late stages of the viral cycle. Activity under co-treatment conditions further suggests a direct virucidal effect or interference with early entry stages; an EC50 of approximately 12 μM was within the same micromolar range as those observed for the reference Epro inhibitors 5-(N,N-hexamethylene)amiloride and rimantadine. Quantitative PCR experiments showed delayed RNA replication in LC-treated infected cells, while light and transmission electron microscopy displayed the reduced release of virions and prevention of cell lysis. These results emphasise the central role of the Epro ion channel in the coronavirus life cycle and present LC as a promising candidate for the further development of novel coronavirus inhibitors.
Ključne besede: SARS-CoV-2 envelope protein, viroporin, ion channel blockers, molecular docking, molecular dynamics simulations, drug discovery, murine hepatitis virus, in vitro
Objavljeno v DiRROS: 11.06.2026; Ogledov: 123; Prenosov: 99
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3. Western range limit, population density, and flight dynamics of the fruit pestEvgeny Akulov, Margarita G. Kovalenko, Julia A. Lovtsova, Dmitrii L. Musolin, Natalia I. Kirichenko, 2025, izvirni znanstveni članek Povzetek: settingsOrder Article Reprints Open AccessArticle Western Range Limit, Population Density, and Flight Dynamics of the Fruit Pest Grapholita inopinata (Lepidoptera: Tortricidae) in Russia by Evgeny N. Akulov 1ORCID,Margarita G. Kovalenko 2ORCID,Julia A. Lovtsova 2ORCID,Dmitrii L. Musolin 3ORCID andNatalia I. Kirichenko 1,4,5,*ORCID 1 Krasnoyarsk Branch of the All-Russian Plant Quarantine Center, Zhelyabova Str., 6/6, Krasnoyarsk 660020, Russia 2 All-Russian Plant Quarantine Center, Bykovo, Moscow Oblast, Bykovo, Pogranichnaya str. 32, 140150, Russia 3 European and Mediterranean Plant Protection Organization, 21 Boulevard Richard Lenoir, 75011 Paris, France 4 Sukachev Institute of Forest, Siberian Branch of the Russian Academy of Sciences, Federal Research Center, Akademgorodok 50/28, Krasnoyarsk 660036, Russia 5 Institute of Ecology and Geography, Siberian Federal University, Svobodny pr. 79, Krasnoyarsk 660041, Russia * Author to whom correspondence should be addressed. Life 2025, 15(4), 521; https://doi.org/10.3390/life15040521 Submission received: 2 March 2025 / Revised: 19 March 2025 / Accepted: 20 March 2025 / Published: 22 March 2025 (This article belongs to the Section Biodiversity, Ecology and Evolution) Downloadkeyboard_arrow_down Browse Figures Versions Notes Abstract The Manchurian fruit moth, Grapholita inopinata (Heinrich) (Lepidoptera: Tortricidae), is an important pest of fruit crops, particularly apples (Malus spp., Rosaceae), and is classified as a quarantine pest in many European countries and other world regions. Until recently, this species was known only in Northeastern China, Japan, and Russia (from Eastern Siberia and the Far East). To determine the westernmost distribution of G. inopinata and assess its abundance, we conducted nine-year pheromone monitoring across 13 administrative regions of Russia from 2014 to 2018 and 2021 to 2024. A total of 1866 traps were deployed, capturing 31,962 G. inopinata specimens in 1811 traps. The species was newly detected in eight regions—seven in Asian Russia and one in European Russia (Perm Krai). These findings doubled the moth’s known range on the Asian continent and extended its western boundary to 56° E in European Russia. Between 2021 and 2024, G. inopinata was generally found at low densities across the surveyed regions (≤10 males per trap per week), with the exception of Perm Krai, Omsk, and Novosibirsk Oblasts, where moderate abundance (up to 38 males per trap per week) was recorded. In contrast, from 2014 to 2018, moderate to high population densities (up to 94 males per trap per week), including mass occurrences (over 100 males per trap per week), were observed in Krasnoyarsk Krai, with an absolute peak capture of 303 males in one trap in June 2017. Notably, in 2015–2017, male flight activity in southern Krasnoyarsk Krai exhibited two distinct peaks: one in mid-to-late June and another from late July to mid-August, indicating the development of two generations. This is the first-ever record of a bivoltine seasonal cycle for G. inopinata in Siberia. These findings are critical for improving pest risk assessments and developing early detection strategies, supporting more effective monitoring and management approaches of this orchard pest.
Ključne besede: orchard pest, Manchurian fruit moth, modern range, population density, flight dynamics, European Russia
Objavljeno v DiRROS: 09.06.2026; Ogledov: 115; Prenosov: 101
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4. Data from manuscript: In silico characterisation of a novel SARS-CoV-2 envelope protein inhibitor and in vitro validation against murine coronavirus : Version v1Nina Kobe, Lennart Dreisewerd, Miha Lukšič, Matic Pavlin, Uroš Grošelj, Črtomir Podlipnik, Mojca Janc, Živa Lengar, Polona Mrak, Magda Tušek-Žnidarič, Maruša Pompe Novak, Urška Kuhar, Peter Hostnik, Federica Dattola, Tea Carletti, Alessandro Marcello, Polona Kogovšek, 2025, zaključena znanstvena zbirka raziskovalnih podatkov Ključne besede: SARS-CoV-2 envelope protein, viroporin, ion channel blockers, molecular docking, molecular dynamics simulations, drug discovery, murine hepatitis virus, in vitro
Objavljeno v DiRROS: 22.05.2026; Ogledov: 163; Prenosov: 166
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5. Computational modeling and characterization methods for rotating magnetic nanochain-enhanced lateral flow immunoassaysAlexey V. Orlov, Juri A. Malkerov, Alexandra S. Rakitina, Anastasiia Kudriavtseva, Alexander A. Minakov, Daniil I. Tselikov, Petr I. Nikitin, Slavko Kralj, 2026, izvirni znanstveni članek Povzetek: This article provides comprehensive methodological guidance for implementing rotating magnetic nanochain-enhanced lateral flow immunoassays with volumetric magnetic detection. Rotating magnetic nanochains act as microscale stirrers that substantially enhance antibody-antigen binding kinetics through convective mixing, yet their integration into lateral flow platforms presents unique technical challenges requiring both computational optimization and specialized characterization. We describe complete workflows for: (i) computational fluid dynamics modeling using COMSOL Multiphysics to simulate nanochain rotation, fluid flow, and mass transport enhancement; (ii) electron microscopy characterization of magnetic nanochain morphology and size distributions; (iii) rotating magnetic field generator design and operation; and (iv) magnetic particle quantification measurement procedures for volumetric signal readout. Each section provides step-by-step instructions with sufficient detail to enable independent replication. The described methods enable development of lateral flow assays achieving sub-nanogram detection limits with rapid (6-minute) analysis times, addressing critical needs in point-of-care diagnostics. These methods complement our related research article in Biosensors and Bioelectronics by providing the technical foundation necessary for adoption and adaptation of this technology by other laboratories.
Ključne besede: magnetic nanochains, lateral flow immunoassay, computational fluid dynamics, point-of-care diagnostic, rotating magnetic field, cardiac biomarkers
Objavljeno v DiRROS: 20.05.2026; Ogledov: 156; Prenosov: 138
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6. The effect of surface roughness on the Er:YAG laser-induced photoacoustic removal of bacteria in zero-gap periodontal/peri-implant pocket modelDominik Šavli, Marko Volk, Katja Molan, Saša Terlep, Špela Levičnik Hoefferle, Aleš Babnik, Mojca Trost, Boris Gašpirc, Matjaž Lukač, David Stopar, Matija Jezeršek, 2025, izvirni znanstveni članek Povzetek: Effective biofilm removal from periodontal and peri-implant pockets remains a challenge due to constrained geometry and limited access. This study investigates a novel phenomenon of distant-field cleaning utilizing Er:YAG laser treatment, where removal of bacteria occurs in areas without previously observed cavitation under high-speed imaging. To understand this effect, we developed a transparent zero-gap model simulating a tooth or implant and surrounding soft tissue. We systematically examined the impact of laser fiber insertion depth, cavitation bubble dynamics, the stiffness and roughness of the material, and laser parameters on the cleaning efficiency. Our findings reveal that the removal of bacteria indeed correlates strongly with cavitation occurrence. Deeper optical fiber insertion into the pocket model only enhanced cleaning efficiency by moving the fluid dynamics and enabling deeper water penetration. Surprisingly, high-speed imaging showed no cavitation in distant regions, raising questions about the mechanisms enabling such cleaning. Further investigation uncovered that surface roughness played a critical role in facilitating this distant-field effect. The smooth, transparent surfaces used in imaging experiments suppressed fluid dynamics, while textured surfaces created by 3D-printed molds and bacterial monolayer allowed deeper water penetration and pressure wave propagation. These surface irregularities enabled localized cavitation events and enhanced bacterial disruption, even in regions beyond the laser fiber’s immediate influence. This study emphasizes the significance of surface roughness in test models, highlighting the need for models to closely mimic the conditions of real clinical scenarios for accurate optimization of Er:YAG laser-induced photoacoustic removal of bacteria.
Ključne besede: Er:YAG laser, cavitation dynamics, biofilm removal, surface roughness, photoacoustic cleaning, periodontal and peri-implant pockets, secondary cavitation
Objavljeno v DiRROS: 20.04.2026; Ogledov: 189; Prenosov: 151
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8. Introduced or established? Convergent evidence indicates imported pine wood nematode vectors occupy gaps in native distributionJean-Claude Grégoire, Jean Artois, Julien Claude, Marius Gilbert, Serge Morand, Géraldine Roux, Gilles San Martin, Dimitrios N. Avtzis, Nick Berkvens, Jochem Bonte, Tine Hauptman, 2026, izvirni znanstveni članek Povzetek: Monitoring regulated quarantine plant pathogens and, when relevant, their vectors is compulsory in the European Union. Local Monochamus species (Coleoptera, Cerambycidae) vector the pine wood nematode, Bursaphelenchus xylophilus, a non-native pest already established in most of Portugal. Only 29 M. galloprovincialis individuals were trapped in Belgium in ten years (2013–2022), despite a dense coverage of pheromone-baited traps, suggesting absence or a very rare local occurrence in the country. In the northern neighbouring countries, only one single established population is known in The Netherlands and one in Denmark. A species distribution model based on pheromone-trap catches (negative and positive) of M. galloprovincialis from 4,914 traps in 29 European countries between 2008 and 2019 was developed, using the overall climate conditions and the distribution of seven pine tree species as explanatory variables. The effect of spatial scale was tested with a multi-scale approach. With a 225*225 km spatial grain, the major explanatory variables were the mean diurnal temperature range and, to a lesser extent, the presence of Pinus spp. The model predicted a low probability of presence in Belgium, the Netherlands, Great Britain and north-western Germany compared to southern Europe. Genotyping allowed to conclude that at least some of the beetles caught in Belgium originated from foreign locations. All catches were located close to entry points, suggesting introduction with imported material. The small size of most of the Belgian pine stands may also explain the absence or apparently transient status, or rareness of Monochamus spp. This study thus suggests that surveys in Belgium should privilege entry points rather than local forest stands.
Ključne besede: biogeography, Drosophila, entomology, invasive species, nematode, seed distribution, invasive species dynamics, forest ecosystems
Objavljeno v DiRROS: 15.04.2026; Ogledov: 207; Prenosov: 153
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9. The stress–strain state in the pelvis during sit-to-stand transferUrban Žnidaršič, Andrej Žerovnik, Matevž Tomaževič, Robert Kunc, 2025, izvirni znanstveni članek Povzetek: To achieve early mobilization of patients with unstable pelvic fractures, the osteosynthesis methods used must withstand the loads in the pelvis during everyday movements. There is currently no predictive tool to assess how suitable these methods are for this purpose. The development of such a tool requires an understanding of the effects of joint and muscle loads on the structural behavior of the pelvis during movement. To further this cause, the stress–strain state of the pelvis during a sit-to-stand transfer of a healthy adult male was analyzed. Muscle and joint reaction forces during the motion were predicted using a rigid-body musculoskeletal model. These loads were then utilized in the first-ever dynamic structural analysis of the pelvis during a sit-to-stand transfer using the finite element method. Several similarities in stress distributions during sit-to-stand transfer, gait, and standing were identified by comparing the finite element analysis results with literature. The common areas of increased stress between the three motions are the acetabular notch, the superior edge of the obturator foramen, the attachments of the gluteus maximus on the ilium, and the lesser sciatic notch. The results also provide important insights into global behavior of the pelvic ring and indicate the locations of concentrated stress during sit-to-stand transfer.
Ključne besede: pelvis, structural analysis, sit-to-stand transfer, finite element method, inverse dynamics, muscle forces
Objavljeno v DiRROS: 09.04.2026; Ogledov: 226; Prenosov: 147
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10. The synergetic effect of Cu+/Cu2+ in unsupported CuxO on the activity and mechanism of low-temperature CO oxidation : a transient kinetic and isotopic studyMichalis A. Vasiliades, Georgia-Maria D. Zarkou, Cheng Zhang, Alexandra Theodosiou, Mirko Prato, Sašo Gyergyek, Petar Djinović, Sotirios Christodoulou, Angelos M. Efstathiou, 2026, izvirni znanstveni članek Povzetek: This work has been motivated by the lack of knowledge concerning the influence of the surface Cu+/Cu2+ molar ratio on the composition and reactivity of the adsorbed phase established on the unsupported Cu2O-CuO solids during CO oxidation in excess oxygen (1% CO/20% O2/He) and at low temperatures (T < 200 °C). Variation of the Cu+/Cu2+ ratio was achieved under controlled calcination conditions applied on an initially c-Cu2O synthesized by the colloidal method. The influence of the Cu+/Cu2+ molar ratio on the mechanism of CO oxidation (Langmuir–Hinshelwood, Mars–van Krevelen, or Eley–Rideal), the surface concentration of active CO-s and COO-s reaction intermediates, and the thermal stability of carbonate-type adsorbed inactive species formed on the working catalytic surface were derived using the SSITKA technique combined with mass spectrometry and in situ DRIFTS. It was found that for high Cu+/Cu2+ molar ratio values (ca. ∼4.9), CO oxidation follows an Eley–Rideal mechanism, where gaseous CO reacts mainly with labile lattice oxygen species. Reversibly chemisorbed CO (θ ∼ 0.15) was measured, but this was not in the CO oxidation path. On the other hand, for low Cu+/Cu2+ molar ratio values (ca. 0.01–0.025), the mechanism shifts toward M-vK type, where the concentration of active COO-s was found to increase with increasing Cu2+/Cu+ molar ratio. Two types of linear adsorbed CO-s were identified by SSITKA-DRIFTS under working reaction conditions, and these were associated with Cu2+ and Cu+ sites. The ratio of the two adsorbed CO species did not vary proportionally with the Cu+/Cu2+ ratio. The specific CO oxidation rate (per gram or m2 of CuxO) was found to increase with increasing Cu+/Cu2+ ratio, while the opposite is true for the apparent activation energy (Eapp, kJ mol–1). An Eapp of 80 kJ mol–1 for Cu+/Cu2+ ∼ 4.9 compared to 125 kJ mol–1 for Cu+/Cu2+ ∼ 0.01 was measured. TOFCO (s–1) values were estimated based on the active sites associated with reaction intermediates truly participating in the CO oxidation reaction path. The TOFCO was also found to increase with increasing Cu+/Cu2+ ratio, largely due to the increased concentration of Cu2O-CuO heterojunctions of the hollow structure formed (Cu+/Cu2+ ∼ 4.9), and likely to their enhanced site activity. Dynamic rates of lattice oxygen reduced and its amount (He → 1%CO/He step-gas switch) and those for oxygen refilling (He → 2% O2/He step-gas switch) over the reduced Cu2O-CuO, the chemical structures of CO-s and CO2-s formed, and the thermal stability of CO2-s in the oxygen atmosphere were determined. HRTEM highlighted the morphology change of Cu2O particles with varying calcination temperature of c-Cu2O NPs. X-ray photoelectron spectroscopy allowed us to estimate the surface Cu+ and Cu2+ composition as a function of calcination temperature. In situ CO-DRIFTS enabled the examination of variations in the surface Cu+/Cu2+ ratio under the CO oxidation reaction conditions.
Ključne besede: SSITKA-CO oxidation, SSITKA-DRIFTS, CuxO, Cu2O-CuO, heterojunction redox dynamics in CuxO, CO oxidation mechanism, reduction of lattice oxygen by CO
Objavljeno v DiRROS: 30.03.2026; Ogledov: 367; Prenosov: 298
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