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Yade-open DEM: an open-source software using a discrete element methodto simulate granular material
PublikacjaPurpose - YADE-OPEN DEM is an open source software based on the Discrete Element Method which uses object oriented programming techniques. The paper describes the softwarearchitecture.Design/methodology/approach - The DEM chosen uses position, orientation, velocity and angular velocity as independent variables of simulated particles which are subject to explicit leapfrog time-integration scheme (Lagrangian method). The three-dimensional...
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DETERMINATION OF SURFACTANTS IN ENVIRONMENTAL SAMPLES - PART I. CATIONIC COMPOUNDS = Oznaczanie Surfaktantów W Próbkach Środowiskowych. Część I. Związki Kationowe
PublikacjaCompounds from the group of cationic surfactants are widely applied in household, industrial, cleaning, disinfectant, cosmetic and pharmaceutical products as their specific properties (antimicrobial, emulsifying, anticorrosion, softening). After use, cationic surfactants are disposed to wastewater-treatment plants and finally with effluent water to surface waters due to their incomplete degradation. Moreover, they can freely circulate...
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At the Limits of Criticality-Based Quantum Metrology: Apparent Super-Heisenberg Scaling Revisited
PublikacjaWe address the question of whether the super-Heisenberg scaling for quantum estimation is indeed realizable. We unify the results of two approaches. In the first one, the original system is compared with its copy rotated by the parameter-dependent dynamics. If the parameter is coupled to the one-body part of the Hamiltonian, the precision of its estimation is known to scale at most as N−1 (Heisenberg scaling) in terms of the number...
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Combination of hydrodynamic cavitation and SR-AOPs for simultaneous degradation of BTEX in water
PublikacjaHydrodynamic cavitation (HC) is an emerging technology gaining interest in water treatment for use in elimination of a wide range of organic pollutants. The energy released during cavitation phenomenon has number of applications and, particularly, it can be utilized for activation of persulfate (PS) and peroxymonosulfate (PMS). In the present study, hybrid techniques: HC combined with persulfates – HC-PS and HC-PMS were tested...
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Improved degradation of etodolac in the presence of core-shell ZnFe2O4/SiO2/TiO2 magnetic photocatalyst
PublikacjaIn the present study, susceptibility to photocatalytic degradation of etodolac, 1,8-diethyl-1,3,4,9 – tetrahydro pyran - [3,4-b] indole-1-acetic acid, which is a non-steroidal anti-inflammatory drug frequently detected in an aqueous environment, was for the first time investigated. The obtained p-type TiO2-based photocatalyst coupled with zinc ferrite nanoparticles in a core-shell structure improves the separation and recovery...
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Investigation on air quality of specific indoor environments—spa salons located in Gdynia, Poland
PublikacjaDue to excessive application of essential oils and scented products in spa salons during aromatherapy and massage sessions, the elevated concentration of total volatile organic compounds (TVOCs), particularly terpenes, which are known as secondary organic aerosol (SOA) precursors, is expected there. This study was aimed at determination of VOCs with a particular regard to terpenes in air samples collected in selected spa salons...
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A novel analytical approach in the assessment of unprocessed Kaffir lime peel and pulp as potential raw materials for cosmetic applications
PublikacjaVolatile fraction of fruits is a rich source of bioactive and aroma compounds, which can be used in the cosmetics industry after meeting relevant criteria. This is particularly evident in citrus fruits, especially in Citrus hystrix, in which the headspace consists mainly of terpenes. Due to the insufficient sensitivity of analytical methods, essential oils are used in investigations in contrast to fresh fruits. Therefore, a novel...
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Near-Field Wireless Sensing of Plastics and Papers Using Frugal Peel-Off Passive Tag
PublikacjaThis article presents a novel frugal approach of testing plastics and papers using a near-field microwave sensing technique with a peel-off tag. The proposed sensing technique involves two electrical entities: the sensor, which may be regarded as a reader, and a disposable tag. The reader is a modified design of a gap-coupled microstrip line (GCML) sensor, while the passive tag is a standard double-ring complementary split-ring...
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Comparative Analysis of Metabolic Variations, Antioxidant Profiles and Antimicrobial Activity of Salvia hispanica (Chia) Seed, Sprout, Leaf, Flower, Root and Herb Extracts
PublikacjaThe purpose of this study was to evaluate the phytochemical profiles of the seeds, sprouts, leaves, flowers, roots and herb of Salvia hispanica and to demonstrate their significant contribution to antioxidant and antimicrobial activities. Applied methods were: HPLC-DAD coupled with post-column derivatization with ABTS reagent, untargeted metabolomics performed by LC-Q-Orbitrap HRMS, and two-fold micro-dilution broth method, which...
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Volatile Compound Emissions from Stereolithography Three-Dimensional Printed Cured Resin Models for Biomedical Applications
PublikacjaStereolithography three-dimensional printing is used increasingly in biomedical applications to create components for use in healthcare and therapy. The exposure of patients to volatile organic compounds (VOCs) emitted from cured resins represents an element of concern in such applications. Here, we investigate the biocompatibility in relation to inhalation exposure of volatile emissions of three different cured commercial resins...
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Anthropogenic trace metals in Setiu Wetland: Spatial and seasonal distribution and implications for environmental health
PublikacjaThe growing urban wastewater volume poses a major global environmental challenge, especially in developing nations where inadequate treatment and discharge impact clean water availability. This study focused on Setiu Wetland, aiming to analyze seasonal and spatial variations of trace metals in particulate form from anthropogenic and pathogenic sources. Surface water samples were collected from multiple stations, measuring physical...
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Dual-Activity Fluoroquinolone-Transportan 10 Conjugates offer alternative Leukemia therapy during Hematopoietic Cell Transplantation
PublikacjaHematopoietic cell transplantation (HCT) is often considered a last resort leukemia treatment, fraught with limited success due to microbial infections, a leading cause of mortality in leukemia patients. To address this critical issue, we explored a novel approach by synthesizing antileukemic agents containing antibacterial substances. This innovative strategy involves conjugating fluoroquinolone antibiotics, such as ciprofloxacin...
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ZnO-decorated green-synthesized multi-doped carbon dots from Chlorella pyrenoidosa for sustainable photocatalytic carbamazepine degradation
PublikacjaThe promising green synthesis of carbon dots (CDs) from microalga Chlorella pyrenoidosa was achieved using simple hydrothermal and microwave-assisted methods. Doping of nanomaterials by nonmetals (N, S, and P) was confirmed by X-ray photoelectron spectroscopy (XPS), while the existence of metals in the CDs was confirmed by inductively coupled plasma optical emission spectroscopy (ICP-OES) and transmission electron microscopy (TEM),...
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Electrochemical simulation of metabolism for antitumor-active imidazoacridinone C-1311 and in silico prediction of drug metabolic reactions
PublikacjaThe metabolism of antitumor-active 5-diethylaminoethylamino-8-hydroxyimidazoacridinone (C-1311) has been investigated widely over the last decade but some aspects of molecular mechanisms of its metabolic transformation are still not explained. In the current work, we have reported a direct and rapid analytical tool for better prediction of C-1311 metabolism which is based on electrochemistry (EC) coupled on-line with electrospray...
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Application of a Gas Sensor Array to Effectiveness Monitoring of Air Contaminated with Toluene Vapors Absorption Process
PublikacjaThis article demonstrates the application of a gas sensor array to monitor the effectiveness of the absorption process of air stream purification from odorous compounds (toluene vapors). A self-constructed matrix consisting of five commercially available gas sensors was used. Multiple linear regression (MLR) was selected as the statistical technique used to calibrate the matrice. Gas chromatography coupled with a flame ionization...
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Extreme weather layer method for implementation of nature-based solutions for climate adaptation: Case study Słupsk
PublikacjaOne of the most severe climate risks that is expected to affect all regions is related to stormwater. Climate models, constructed based on long-term trends, show that extreme weather events such as storms, cloudbursts and a large rise in sea level will be significant in the coming decades. Moreover, even the frequency and intensity of “normal” rainfall events, such as microbursts, are expected to be remarkably higher than today...
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The Distribution of Glucosinolates in Different Phenotypes of Lepidium peruvianum and Their Role as Acetyl- and Butyrylcholinesterase Inhibitors—In Silico and In Vitro Studies
PublikacjaThe aim of the study was to present the fingerprint of different Lepidium peruvianum tu- ber extracts showing glucosinolates-containing substances possibly playing an important role in preventinting dementia and other memory disorders. Different phenotypes of Lepidium peruvianum (Brassicaceae) tubers were analysed for their glucosinolate profile using a liquid chromatograph coupled with mass spectrometer (HPLC-ESI-QTOF-MS/MS platform)....
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The Effect of Laser Re-Solidification on Microstructure and Photo-Electrochemical Properties of Fe-Decorated TiO2 Nanotubes
PublikacjaFossil fuels became increasingly unpleasant energy source due to their negative impact on the environment; thus, attractiveness of renewable, and especially solar energy, is growing worldwide. Among others, the research is focused on smart combination of simple compounds towards formation of the photoactive materials. Following that, our work concerns the optimized manipulation of laser light coupled with the iron sputtering to...
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Intramolecular Proton Transfer in the Radical Anion of Cytidine Monophosphate Sheds Light on the Sensitivities of Dry vs Wet DNA to Electron Attachment-Induced Damage
PublikacjaSingle-strand breaks (SSBs) induced via electron attachment were previously observed in dry DNA under ultrahigh vacuum (UHV), while hydrated electrons were found not able to induce this DNA damage in an aqueous solution. To explain these findings, crossed electron-molecular beam (CEMB) and anion photoelectron spectroscopy (aPES) experiments coupled to density functional theory (DFT) modeling were used to demonstrate the fundamental...
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Chemical and biological characterization of Ocimum basilicum L. phenolic extract and essential oil derived through ultrasound and microwave-assisted extraction techniques
PublikacjaPlant-derived bioactive molecules are increasingly utilized in food processing as natural additives, driven by a growing interest in healthier lifestyles. This trend has spurred industries to reformulate products to meet the demands of health-conscious consumers. This study investigates the phenolic extract and essential oil of O. basilicum L. obtained via ultrasound-assisted extraction and microwave-assisted extraction, respectively. Characterization...
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Electrochemical simulation of metabolic reduction and conjugation reactions of unsymmetrical bisacridine antitumor agents, C-2028 and C-2053
PublikacjaElectrochemistry (EC) coupled with analysis techniques such as liquid chromatography (LC) and mass spectrometry (MS) has been developed as a powerful tool for drug metabolism simulation. The application of EC in metabolic studies is particularly favourable due to the low matrix contribution compared to in vitro or in vivo biological models. In this paper, the EC(/LC)/MS system was applied to simulate phase I metabolism of the representative...
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Dibutyl phthalate disrupts conserved circadian rhythm in Drosophila and human cells
PublikacjaPeople are constantly exposed to phthalates, due to their common use in the production of plastics, pharmaceuticals, cosmetics and skin care products. The ability of phthalates to disrupt endocrine signaling, leading to developmental, reproductive and metabolic defects, has been studied, yet how phthalates interfere with these biological functions is still unclear. To uncover DBP interacting molecular pathways, we raised Drosophila...
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Comparison of Absorbed and Intercepted Fractions of PAR for Individual Trees Based on Radiative Transfer Model Simulations
PublikacjaThe fraction of absorbed photosynthetically active radiation (fAPAR) is a key parameter for estimating the gross primary production (GPP) of trees. For continuous, dense forest canopies, fAPAR, is often equated with the intercepted fraction, fIPAR. This assumption is not valid for individual trees in urban environments or parkland settings where the canopy is sparse and there are well-defined tree crown boundaries. Here, the distinction...
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CE-MS and GC-MS as “Green” and Complementary Methods for the Analysis of Biogenic Amines in Wine
PublikacjaTwo novel complementary analytical methods, namely an extraction-free capillary electrophoresis coupled to mass spectrometry (CE-MS) and direct immersion-solid-phase microextraction combined with gas chromatography-mass spectrometry (DI-SPME-GC-MS), have been developed and successfully applied for the determination of biogenic amines (BAs) in wine and fruit wine. They have been rigorously compared to each other in terms of various...
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Quality of limes juices based on the aroma and antioxidant properties
PublikacjaKaffir (Citrus hystrix) and Key (Citrus aurantifolia) limes juices were investigated and compared. Two dimensional gas chromatography coupled with time-of-flight mass spectrometry (GC×GC-TOF-MS) was applied to assess the botanical origin of Kaffir and Key limes juices, based on volatile substances. The biggest differences in the contents of selected terpenes in Kaffir and Key limes occur in chemical compounds such as Limonene,...
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Chromatographic and Spectroscopic Identification and Recognition of Natural Dyes, Uncommon Dyestuff Components, and Mordants: Case Study of a 16th Century Carpet with Chintamani Motifs
PublikacjaA multi-tool analytical practice was used for the characterisation of a 16th century carpet manufactured in Cairo. A mild extraction method with hydrofluoric acid has been evaluated in order to isolate intact flavonoids and their glycosides, anthraquinones, tannins, and indigoids from fibre samples. High-performance liquid chromatography coupled to spectroscopic and mass spectrometric detectors was used for the identification of...
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Heavy metal accumulation and distribution in Phragmites australis seedlings tissues originating from natural and urban catchment
PublikacjaThe retention of heavy metal (HM) was studied in root and rhizomes (BLG), stems (ST), and leaves (LF) of Phragmites australis (common reed) seedlings collected from different locations, differing in the scale of anthropogenic interference. The analysis includes the reference samples of sediments in uncontaminated lake Garczonki and contaminated roadside ditch in Cieplewo. The concentrations of Zn, Cu, Pb, Cd, Ni, and Cr were analyzed...
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Activated sodium percarbonate-ozone (SPC/O3) hybrid hydrodynamic cavitation system for advanced oxidation processes (AOPs) of 1,4-dioxane in water
PublikacjaHydrodynamic cavitation (HC) was employed to activate sodium percarbonate (SPC) and ozone (O3) to degrade recalcitrant 1,4-dioxane. The degradation efficiency > 99 % with a rate constant of 4.04 × 10−2 min−1 was achieved in 120 min under the optimal conditions of cavitation number (Cv) 0.27, pH 5, molar ratio of oxidant to pollutant (rox) 8, ozone dose of 0.86 g h−1 under 25 ± 2 °C with initial concentration of 1,4-dioxane 100...
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The Response of Selected Domestic Capital Markets on the Development of COVID-19 Pandemic – a Broader View
PublikacjaObjective: The study examines how the record of the first, hundredth, thousandth, ten-thousandth, one-hundred-thousandth, and millionth cases of COVID-19 affected investor behaviour in capital markets. It also looks at whether the month in which the first case was recorded in a given market affected the direction and strength of investor reactions. Lastly, it verifies whether the two announcements made by the WHO related to COVID-19...
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Concentration levels of selected analytes in the gas phase of an e-cigarette aerosol
PublikacjaThe aerosols generated from e-cigarettes are composed of liquid and gas phases resulting from vapourized e-liquid. The apportioning of substances from e-liquid into the liquid and gas phases during e-cigarette use has not been extensively studied. Partitioning of e-liquid components between the gas and the liquid phase of the aerosol influences the substances inhaled and exhaled by the users, leading to second-hand exposure. It...
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Mutually polarizable QM/MM model with in situ optimized localized basis functions
PublikacjaWe extend our recently developed quantum-mechanical/molecular mechanics (QM/MM) approach [Dziedzic et al., J. Chem. Phys. 145, 124106 (2016)] to enable in situ optimization of the localized orbitals. The quantum subsystem is described with ONETEP linear-scaling density functional theory and the classical subsystem – with the AMOEBA polarizable force field. The two subsystems interact via multipolar electrostatics and are fully...
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Incorporation of the sulfur cycle in sustainable nitrogen removal systems - A review
PublikacjaIn wastewater treatment systems, sulfur (S) removal processes are generally based on heterotrophic sulfate (SO42−) reduction by sulfate reducing bacteria and S-dependent autotrophic denitrification by sulfur oxidizing bacteria. A combination of either two cycles (N and S) or three cycles (N, S and C) appears to be a viable approach to sustainable wastewater treatment, resulting in energy savings and reduction of sludge production....
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Composite as a Material of the Future in the Era of Green Deal Implementation Strategies
PublikacjaComposite materials have become synonymous with modernity, desired in nearly every aspect of our daily lives, from simple everyday objects to sanitary facilities, pipelines, the construction of modern sewer networks, their renovation, water supply, and storage reservoirs, to complex structures—automotive, planes, and space science. Composites have seen a considerable rise in attention owing to their characteristics, durability,...
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Uptake, accumulation, and translocation of Zn, Cu, Pb, Cd, Ni, and Cr by P. australis seedlings in an urban dredged sediment mesocosm: impact of seedling origin and initial trace metal content
PublikacjaThe study presents results from 6 months of phytoremediation of sediments dredged from three urban retention tanks carried out in a mesocosm setup with the use of P. australis. Two kinds of P. australis seedlings were considered: seedlings originating from natural (uncontaminated - Suncont) and anthropogenically changed environments (contaminated – Scont); this distinction was reflected in the baseline concentrations of trace metals...
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Spin and Orbital Effects on Asymmetric Exchange Interaction in Polar Magnets: M(IO3)2 (M = Cu and Mn)
PublikacjaMagnetic polar materials feature an astonishing range of physical properties, such as magnetoelectric coupling, chiral spin textures, and related new spin topology physics. This is primarily attributable to their lack of space inversion symmetry in conjunction with unpaired electrons, potentially facilitating an asymmetric Dzyaloshinskii–Moriya (DM) exchange interaction supported by spin–orbital and electron–lattice coupling. However,...
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New Unsymmetrical Bisacridine Derivatives Noncovalently Attached to Quaternary Quantum Dots Improve Cancer Therapy by Enhancing Cytotoxicity toward Cancer Cells and Protecting Normal Cells
PublikacjaThe use of nanoparticles for the controlled drug delivery to cells has emerged as a good alternative to traditional systemic delivery. Quantum dots (QDs) offer potentially invaluable societal benefits such as drug targeting and in vivo biomedical imaging. In contrast, QDs may also pose risks to human health and the environment under certain conditions. Here, we demonstrated that unique combination of nanocrystals core components...
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Bibliometric analysis and literature review of ultrasound-assisted degradation of organic pollutants
PublikacjaUltrasound as a clean, efficient, and cheap technique gains special attention in wastewater treatment. Ultrasound alone or coupled with hybrid processes have been widely studied for the treatment of pollutants in wastewater. Thus, it is essential to conduct a review about the research development and trends on this emerging technique. This work presents a bibliometric analysis of the topic associated with multiple tools such as...
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A Framework for Searching in Graphs in the Presence of Errors
PublikacjaWe consider a problem of searching for an unknown target vertex t in a (possibly edge-weighted) graph. Each vertex-query points to a vertex v and the response either admits that v is the target or provides any neighbor s of v that lies on a shortest path from v to t. This model has been introduced for trees by Onak and Parys [FOCS 2006] and for general graphs by Emamjomeh-Zadeh et al. [STOC 2016]. In the latter, the authors provide...
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Circularly Polarized Antenna Array design with the Potential of Gain-Size Trade-off and Omnidirectional Radiation for Millimeter-Wave Small Base Station Applications
PublikacjaThis paper presents the design and validation of a slot-patch-hybrid circularly polarized antenna array for 28 GHz millimeter (mm) wave (mm-wave) applications. The proposed design has a simple geometry that facilitates the fabrication process, which is otherwise a challenging task due to the sub-mm dimensions of the circuit in the mm-wave band. In the proposed structure, aperture-coupled series slot-fed array is utilized to excite...
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Accurate Modeling of Antenna Structures by Means of Domain Confinement and Pyramidal Deep Neural Networks
PublikacjaThe importance of surrogate modeling techniques has been gradually increasing in the design of antenna structures over the recent years. Perhaps the most important reason is a high cost of full-wave electromagnetic (EM) analysis of antenna systems. Although imperative in ensuring evaluation reliability, it entails considerable computational expenses. These are especially pronounced when carrying out EM-driven design tasks such...
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Reduced-Cost Microwave Design Closure by Multi-Resolution EM Simulations and Knowledge-Based Model Management
PublikacjaParameter adjustment through numerical optimization has become a commonplace of contemporary microwave engineering. Although circuit theory methods are ubiquitous in the development of microwave components, the initial designs obtained with such tools have to be further tuned to improve the system performance. This is particularly pertinent to miniaturized structures, where the cross-coupling effects cannot be adequately accounted...
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A Comprehensive Survey on Antennas On-Chip Based on Metamaterial, Metasurface, and Substrate Integrated Waveguide Principles for Millimeter-Waves and Terahertz Integrated Circuits and Systems
PublikacjaAntennas on-chip are a particular type of radiating elements valued for their small footprint. They are most commonly integrated in circuit boards to electromagnetically interface free space, which is necessary for wireless communications. Antennas on-chip radiate and receive electromagnetic (EM) energy as any conventional antennas, but what distinguishes them is their miniaturized size. This means they can be integrated inside...
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Petrophysical analyses of rock construction materials from the Roman rural settlement in Podšilo bay on Rab island (NE Adriatic, Croatia)
PublikacjaThis article presents the results of petrophysical analyses of limestones and sandstones used for the construction of the wall structures of a Roman rural settlement located in Podšilo Bay on Rab Island (Croatia). An on-site analysis of the walls indicated the use of different lithotypes, which is an uncommon case in the area. So far, no petrophysical properties of the applied materials have been tested, and their provenance...
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Study on polymer modified road asphalt mixture
PublikacjaThe formulation of ternary asphalt-additives blend composed of crumb rubber : low-density polyethylene (CR : LDPE) and crumb rubber : textile fiber (CR : TF) couples, and quaternary asphalt additives-blend composed of (CR : LDPE : TF) triplets on the virgin asphalt to optimize the asphalt basic and rheological properties and to use the extrusion process of two or three additives to obtain composite materials of them, as well as...
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Numerical analysis of pile installation effects in cohesive soils
PublikacjaIn this thesis the empirical equation for radial effective stress calculation after displacement pile installation and following consolidation phase has been proposed. The equation is based on the numerical studies performed with Updated Lagrangian, Arbitrary Lagrangian-Eulerian and Coupled Eulerian-Lagrangian formulations as well as the calibration procedure with database containing world-wide 30 pile static loading tests in cohesive...
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Differences between selected volatile aromatic compound concentrations in sludge samples in various steps of wastewater treatment plant operations
PublikacjaSewage sludge, one of the main wastes generated during wastewater treatment, constitutes an important source of emissions of volatile chemical compounds such as volatile aromatic compounds These substances may undergo various changes as a result of operations and unit processes, which affects their concentrations in sewage sludge. An important factor determining the potential hazardousness of volatile organic compounds is the quality...
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Magnetically recyclable TiO2/MXene/MnFe2O4 photocatalyst for enhanced peroxymonosulphate-assisted photocatalytic degradation of carbamazepine and ibuprofen under simulated solar light
PublikacjaIn this study, a novel TiO2/Ti3C2/MnFe2O4 magnetic photocatalyst with dual properties, enabling (i) improved photocatalytic degradation with PMS activation under simulated solar light and (ii) magnetic separation after the degradation process in an external magnetic field was developed and applied for the efficient photodegradation pharmaceutically active compounds (PhACs) frequently present in wastewater and surface waters worldwide. MXene...
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Green porous benzamide-like nanomembranes for hazardous cations detection, separation, and concentration adjustment
PublikacjaGreen biomaterials play a crucial role in the diagnosis and treatment of diseases as well as health-related problem-solving. Typically, biocompatibility, biodegradability, and mechanical strength are requirements centered on biomaterial engineering. However, in-hospital therapeutics require an elaborated synthesis of hybrid and complex nanomaterials capable of mimicking cellular behavior. Accumulation of hazardous cations like...
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Chemical investigation on the mechanism and kinetics of the atmospheric degradation reaction of Trichlorofluoroethene by OH⋅ and Its subsequent fate in the presence of O2/NOx
PublikacjaThe M06-2X/6-311++G(d,p) level of theory was used to examine the degradation of Trichlorofluoroethene (TCFE) initiated by OH⋅ radicals. Additionally, the coupled-cluster single-double with triple perturbative [CCSD(T)] method was employed to refine the single-point energies using the complete basis set extrapolation approach. The results indicated that OH-addition is the dominant pathway. OH⋅ adds to both the C1 and C2 carbons,...
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Composition and antimicrobial activity of fatty acids detected in the hygroscopic secretion collected from the secretory setae of larvae of the biting midge Forcipomyia nigra (Diptera: Ceratopogonidae)
PublikacjaThe hygroscopic secretion produced by the secretory setae of terrestrial larvae of the biting midge Forcipomyia nigra (Winnertz) was analysed using gas chromatography coupled with mass spectrometry (GC-MS). The viscous secretion is stored at the top of each seta and absorbs water from moist air. GC-MS analyses (four independent tests) showed that the secretion contained 12 free fatty acids, the most abundant of which were oleic...