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Search results for: mechanika kwantowa
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Active Site Architecture and Reaction Mechanism Determination of Cold Adapted beta-D-galactosidase from Arthrobacter sp. 32cB
PublicationArthbetaDG is a dimeric, cold-adapted beta-D-galactosidase that exhibits high hydrolytic and transglycosylation activity. A series of crystal structures of its wild form, as well as its ArthbetaDG_E441Q mutein complexes with ligands were obtained in order to describe the mode of its action. The ArthbetaDG_E441Q mutein is an inactive form of the enzyme designed to enable observation of enzyme interaction with its substrate. The...
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Morphology Regulation Mechanism and Enhancement of Photocatalytic Performance of BiOX (X = Cl, Br, I) via Mannitol-Assisted Synthesis
PublicationBiOX (X = Cl, Br, I) photocatalysts with dominant (110) facets were synthesized via a mannitol-assisted solvothermal method. This is the first report on the exposed (110) facets-, size-, and defects-controlled synthesis of BiOX achieved by solvothermal synthesis with mannitol. This polyol alcohol acted simultaneously as a solvent, capping agent, and/or soft template. The mannitol concentration on the new photocatalysts morphology...
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Simulations of spacing of localized zones in reinforced concrete beams using elasto-plasticity and damage mechanics with non-local softening
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Model egoistycznych ataków na mechanizm odłożenia transmisji w warstwie MAC bezprzewodowych sieci lokalnych ad hoc
PublicationZaprezentowano mechanizm i efekty ataku na mechanizm odczekania CSMA/CA w lokalnej sieci IEEE 802.11. Stosując rachunek miar motywacyjnych pokazano, w jako sposób zachowania niekooperacyjne stacji sieci mogą wpływać na osiąganą globalną przepustowość i rozdział pasma sieci.
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Durability and mechanical properties of seashell partially-replaced cement, Journal of Building Engineering 2020-09-03 | Journal article |
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The influence of different flame retardants on thermal stability, mechanical and physical properties of rigid polyurethane foams blown with n-pentane
PublicationW artykule opisano wpływ klasycznych uniepalniaczy na właściwości sztywnych pianek poliuretanowych. Opisano 7 układów piankowych oraz wyniki charakterystyki fizyczno-mechanicznej oraz stabilności termicznej.
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Revealing the Influence of the Shape, Size, and Aspect Ratio of ZnO Nanoparticles on Antibacterial and Mechanical Performance of Cellulose Fibers Based Paper
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Effect of ball-milling process parameters on mechanical properties of Al/Al2O3/collagen powder composite using statistical approach
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Mechanisms positioned in a neighbourhood of their singular positions - velocity amplification in the electromagnetic damping. Part 1 - Background of the mechanical structure modeling
PublicationW pracy przedstawiono metodę modelowania dynamiki drgającego hybrydowego układu mechanicznego złożonego z odkształcalnego podukładu ciągłego oraz z połączonego z nim mechanizmu. U układzie pojawiają się drgania części odkształcalnej. By je wytłumić, ich energia zamieniana jest w energię elektryczną (za pomocą prądnicy prądu stałego) i rozpraszana na oporności obecnej w układzie elektrycznym. Aby przyśpieszyć tłumienie, wprowadzony...
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Thermal and mechanical properties of polyamide 12/modified carbon nanotubes composites prepared via the in situ ring-opening polymerization
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Unraveling the solar and visible light-induced deactivation mechanism of Pt-decorated carbon/TiO2 nanocomposite in photocatalytic hydrogen production
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Nanosized carbon black as synergist in PP/POE-MA/IFR system for simultaneously improving thermal, electrical and mechanical properties
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In-situ FTIR study of reaction mechanism and chemical kinetics of a Xundian lignite during non-isothermal low temperature pyrolysis
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Prediction of metal deformation due to line heating; an alternative method of mechanical bending, based on artificial neural network approach
PublicationLine heating is one of the alternative methods of forming metals and this kind of forming uses the heating torch as a source of heat input. During the process, many parameters are considered like the size of the substrate, thickness, cooling method, source power intensity, the travel speed of the power source, the sequence of heating, and so on. It is important to analyze the factors affecting the...
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The performance of multicomponent oxide systems based on TiO2, ZrO2 and SiO2 in the photocatalytic degradation of Rhodamine B: Mechanism and kinetic studies
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Temperature Evolution, Material Flow, and Resulting Mechanical Properties as a Function of Tool Geometry during Friction Stir Welding of AA6082
PublicationThe friction stir welding process was simulated for joining AA6082 aluminum alloy with the use of the computational fluid dynamics method. Two different tool geometries were used—a tapered cylindrical pin (simple pin) and a hexagonal pin with grooves (complex pin). The analysis of the simulations performed was discussed in terms of temperature evolution during the process, total heat input, residual stresses and material flow....
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The Mechanism of a Retro-Diels–Alder Fragmentation of Luteolin: Theoretical Studies Supported by Electrospray Ionization Tandem Mass Spectrometry Results
PublicationThe mechanisms of retro-Diels–Alder fragmentation of luteolin are studied theoretically using the Density Functional Theory method (B3LYP hybrid functional) together with the 6-311++G(d,p) basis set and supported by electrospray ionization tandem mass spectrometry (ESI-MS) results. The reaction paths leading to the formation of 1,3A and 1,3B fragment ions observed as the main spectral features in the ESI-MS spectrum are described...
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Fracture mechanics model of cutting power versus widespread regression equations while wood sawing with circular saw blades
PublicationA comparison of the theoretical cutting power consumption results forecasted with the model (FM_CM model) which include work of separation (fracture toughness) in addition to plasticity and friction, and two widespread regression equations while wood sawing with circular saw blades has been described. in and cutting power consumption forecasted. In computations of the cutting power consumption during rip sawing of Scots pine wood...
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Study of microstress state of P91 steel using complementary mechanical Barkhausen, magnetoacoustic emission, and X-ray diffraction techniques
PublicationThe paper deals with assessment of microstress state of martensite P91 steel using three complementary techniques: mechanical Barkhausen emission, magnetoacoustic emission (MAE), and X-ray diffraction (XRD) profile analysis. Magnetic coercivity Hc and microstructure were investigated with inductive magnetometry and magnetic force microscopy (MFM), respectively. Internal stress level of P91 steel was modified by heat treatment....
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Imidazoacridinone antitumor agent C-1311 as a selective mechanism- based inactivator of human cytochrome P450 1A2 and 3A4 isoenzymes.
Publication5-Diethylaminoethylamino-8-hydroxyimidazoacridinone (C-1311), a promising antitumor agent that is also active against autoimmune diseases, was determined to be a selective inhibitor of the cytochrome P450 (CYP) 1A2 and 3A4 isoenzymes. Therefore, C-1311 might modulate the effectiveness of other drugs used in multidrug therapy. The present work aimed to identify the mechanism of the observed C-1311-mediated inactivation of CYP1A2...
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Wpływ starzenia stali budowlanej na jej właściwości mechaniczne. The effect of structural steel aging on its mechanical properties
PublicationPrzedstawiono wyniki badań właściwości mechanicznych i struktury trzech elementów stalowej konstrukcji budowlanej po długotrwałej eksploatacji.
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Investigation of magnetic and magnetomechanical hysteresis properties of Fe Si alloys with classical and mechanical Barkhausen effects and magnetoaco ustic emission.
PublicationW stopach Fe 3,5% Si o strukturze GO oraz NO badano własności histerezowe za pomocą polowego HBE i mechanicznego MEB efektu Barkhausena oraz emisji magnetoakustycznej EMA. Rozkład naprężeń wewnętrznych został wyznaczony wykorzystując zależność natężenia MEB od naprężeń zewnętrznych (próba pierwszego naprężania). Stwierdzenie MEB oraz EMA o znaczącym naprężeniu dowodzi występowania granic typu 90 deg. Są to granice domen typu...
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Thermally activated natural chalcopyrite for Fenton-like degradation of Rhodamine B: Catalyst characterization, performance evaluation, and catalytic mechanism
PublicationIn this work, catalytic activity of natural chalcopyrite (CuFeS2) was improved by thermal activation. The modified chalcopyrite was used as efficient catalyst for degradation of organic dye Rhodamine B (RhB) through advanced oxidation process (AOP). Effects of catalyst dosage, H2O2 concentration, reaction temperature, solution pH, anions, and natural organic matter on the degradation efficiency of RhB were investigated. This study...
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Removal of Arsenic from Wastewater Using Hydrochar Prepared from Red Macroalgae: Investigating Its Adsorption Efficiency and Mechanism
PublicationArsenic (As) is a prominent carcinogen component produced via both geogenic and anthropogenic processes, posing serious risks to human health. This study aimed to investigate the potential of hydrochar prepared from red macroalgae for removing As from synthetic wastewater. The hydrochar was produced through 5 h hydrothermal carbonization (HTC) treatment at 200 °C, and then, chemically activated with ferric chloride hexahydrate...
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Transport Mechanism of Paracetamol (Acetaminophen) in Polyurethane Nanocomposite Hydrogel Patches—Cloisite® 30B Influence on the Drug Release and Swelling Processes
PublicationThis article describes the swelling and release mechanisms of paracetamol in polyurethane nanocomposite hydrogels containing Cloisite® 30B (organically modified montmorillonite). The transport mechanism, swelling and release processes of the active substance in nanocomposite matrix were studied using gravimetric and UV-Vis spectroscopic methods. Swelling and release processes depend on the amount of clay nanoparticles in these...
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Effect of pulse laser treatment at different process variables on mechanical behavior of carbon nanotubes electrophoretically deposited on titanium alloy
PublicationPurpose: Titanium and its alloys are widely used as biomaterials for long-term implants, but they are usually surface-modified due to their weak bioactivity and wear resistance. Laser processing was used to modify the surface layer, and elemental carbon was a component of the deposited coatings. This research aims to use a combination of both methods based on preliminary electrophoretic deposition of multi-wall carbon nanotubes...
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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
PublicationThe 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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Wire Arc Additive Manufactured Mild Steel and Austenitic Stainless Steel Components: Microstructure, Mechanical Properties and Residual Stresses
PublicationWire arc additive manufacturing (WAAM) is an additive manufacturing process based on the arc welding process in which wire is melted by an electric arc and deposited layer by layer. Due to the cost and rate benefits over powder-based additive manufacturing technologies and other alternative heat sources such as laser and electron beams, the process is currently receiving much attention in the industrial production sector. The gas...
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Meso-mechanical modelling of damage in concrete using discrete element method with porous ITZs of defined width around aggregates.
PublicationArtykuł omawia wyniki obliczeń numerycznych pękania dla betonu stosując metodę elementów dyskretnych. Beton był opisany jako materiał 4-fazowy i był poddany zginaniu. W obliczeniach uwzględniono strefy ITZ o skończonej szerokości dookoła wszystkich ziaren kruszywa. Nacisk położono na przebieg mikropęknięć przy kruszywie. Wyniki porównano bezpośrednio z doświadczeniami. Obliczenia wykonano także dla szorstkich ziaren kruszywa....
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Simulations of spacing of localized zones in reinforced concrete beams using elastic-plasticity and damage mechanics with non-local softening
PublicationArtykuł omawia obliczanie belek żelbetowych z uwzględnieniem lokalizacji odkształceń. Obliczenia wykonano przy zastosowaniu MES na bazie sprężysto-plastycznego prawa konstytutywnego i modelu zniszczeniowego uwzględniającego degradację sztywności rozszerzonego o długość charakterystyczną mikrostruktury za pomocą teorii nielokalnej.
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Higly efficient near-infrared organic excimer electrphosphorescent diodes
PublicationW pracy opisano konstrukcję diody elektrofosforescencyjnej z emiterem w postaci organicznego kompleksu platyny (II). Dioda wysyła promieniowanie w bliskiej podczerwieni (705-720nm) pochodzące od ekscymerów trypletowych. Maksymalna użyteczna wydajność kwantowa diody wynosi 9.8-10.7%.
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Wielowymiarowa chromatografia cieczowa jako technika przygotowania próbki i oznaczania składu grupowego skomplikowanych mieszanin substancji
PublicationCelem ogólnym niniejszej rozprawy doktorskiej jest opanowanie problemu doboru optymalnych warunków przygotowania próbki, z uwzględnieniem rozdzielania grupowego w celu zapewnienia możliwości oznaczania zawartości wybranych analitów lub grup analitów w materiałach stanowiących skomplikowane mieszaniny bardzo wielu substancji. W części wprowadzającej pracy dokonano przeglądu i poddano krytycznej ocenie istniejące techniki i metody...
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Large deformations formulation and elastic instability of single layer nanoplate embedded on polymer medium in nonlocal continuum mechanic
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Technika wirtualizacji dźwięku wykorzystująca odpowiedzi impulsowe zarejestrowane za pomocą sztucznej głowy w komorze bezdechowej
PublicationPrzedstawiono opracowany w Katedrze Systemów Multimedialnych WETI PG, komputerowy system przetwarzania sygnałów. Zadaniem systemu jest prawidłowe umieszczenie wirtualnego źródła dźwięku w panoramie dookólnej. W ostatniej części pracy pokazano uzyskane wyniki testów dokładności lokalizacji wirtualnych źródeł dźwięku.
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Photodissociation of polyatomic systems: non-adiabatic effects and conical intersection
PublicationPodano przykłady mechanizmów fotodysocjacji w cząsteczkach chloru bromoacetylowego i rodnika winiksydowego. Zastosowano kwantowe symulacje dynamiczne.
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Mechanical Design, Construction and Control of a Lower Extremity Exoskeleton Robot Prototype with a new structure in the form of three-wheeled Mobile robot
PublicationIn this paper, mechanical design, dynamic modeling, construction and Fuzzy computed torque control of a lab prototype of lower extremity exoskeleton robot with a new structure in the form of three-wheeled Mobile robot is presented. One of the most important applications of next generation of lower extremity exoskeleton robot is usability as smart vehicle. In order to autonomously moving of this robot which is the foundation...
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The Influence of Calcium Glycerophosphate (GPCa) Modifier on Physicochemical, Mechanical, and Biological Performance of Polyurethanes Applicable as Biomaterials for Bone Tissue Scaffolds Fabrication
PublicationIn this paper we describe the synthesis of poly(ester ether urethane)s (PEEURs) by using selected raw materials to reach a biocompatible polyurethane (PU) for biomedical applications. PEEURs were synthesized by using aliphatic 1,6-hexamethylene diisocyanate (HDI), poly(ethylene glycol) (PEG), α,ω-dihydroxy(ethylene-butylene adipate) (Polios), 1,4-butanediol (BDO) as a chain extender and calcium glycerolphosphate salt (GPCa) as...
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Mechanical Properties, Microstructure and Surface Quality of Polypropylene Green Composites as a Function of Sunflower Husk Waste Filler Particle Size and Content
PublicationAgricultural waste is a still untapped source of materials that can, in case of proper utilization, significantly improve the sustainability of polymers and their composites. In this work, polymer composites based on isotactic polypropylene were produced incorporating ground sunflower husk in the amount of 10 wt% and 20 wt%. The work’s main objective is to evaluate how preliminary fractioning of this agricultural waste filler affects...
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Mechanical and Microstructural Characterization of TIG Welded Dissimilar Joints between 304L Austenitic Stainless Steel and Incoloy 800HT Nickel Alloy
PublicationIn this article, the mechanical properties and microstructure of 304L austenitic stainless steel/Incoloy 800HT nickel alloy dissimilar welded joints are investigated. The joints were made of 21.3 mm × 7.47 mm tubes using the TIG process with the use of S Ni 6082 nickel filler metal. No welding imperfections were found and high strength properties of joints were obtained, meeting the assumed acceptance criteria of the product’s...
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Fate and significance of phthalates and bisphenol A in liquid by-products generated during municipal solid waste mechanical-biological pre-treatment and disposal
PublicationSamples of liquid by-products generated by municipal solid waste plants (MSWPs) were tested for the presence of phthalates (PAEs) and bisphenol A (BPA). The results indicated that the wastewater generated during mechanical (sorting unit - SU) and biological (composting unit - CU) pre-treatment (MBT) of residual (mixed) solid waste is a significant source of these compounds. The concentrations of PAEs (up to 32222 lg/L) and BPA...
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METODA REDUKCJI PRAWDOPODOBIEŃSTWA BLOKOWANIA ŻĄDAŃ W SIECI SZKIELETOWEJ OPARTA O MECHANIZM PROGNOZOWANIA KONFLIKTÓW W ZASOBACH PRZEPUSTOWOŚCI
PublicationMetody doboru tras ukierunkowane na równoważenie obciążenia sieci (ang: Load-Balancing Routing; LBR) redukują prawdopodobieństwo blokowania żądań na instalację tras i tym samym podnoszą potencjalny przepływ transmisji, przy niezmiennej przepustowości sieci. Niniejsza praca prezentuje nową metodę LBR która prowadzi do istotnej redukcji prawdopodobieństwa blokowania (dla niektórych scenariuszy ponad 3.8 razy).
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Fish gelatin-nanoclay films. Part I: Effect of a kind of nanoclays and glycerol concentration on mechanical and water barrier properties of nanocomposites
PublicationThe aim of work was the improvement of the mechanical and water barrier properties of nanocomposites prepared from fish gelatin and nanoclays (5–15%), plasticized with glycerol at different concentrations. The effect of hydrophilic Cloisite Na1 and Nanomer®PGV was compared with that exerted by organically modified more hydrophobic Nanofil®2 and NanoBent ZR-1. Antimicrobial activity of nanocomposites containing hydrophobic nanoclays...
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Comparative X-ray diffraction and Mössbauer spectroscopy studies of BiFeO3 ceramics prepared by conventional solid-state reaction and mechanical activation
PublicationThe aim of this work was to prepare BiFeO3 by modified solid-state sintering and mechanical activation processes and to investigate the structure and hyperfine interactions of the material. X-ray diffraction and Mössbauer spectroscopy were applied as complementary methods. In the case of sintering, BiFeO3 phase was obtained from the mixture of precursors with 3 and 5 % excess of Bi2O3 during heating at 1023 K. Small amounts of...
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Właściwości i spawalność dwufazowych stali odpornych na korozję typu duplex = Mechanical properties and weldability of duplex stainless steels
PublicationW artykule scharakteryzowano nowoczesne stale odporne na korozję o strukturze ferrytyczno- austenitycznej typu duplex podając ich skład chemiczny, strukturę, właściwości mechaniczne i odporność korozyjną. Przedstawiono podstawowe problemy, które mogą wystąpić podczas spawania tego typu stali. Omówiono przemiany fazowe w strukturze stali zachodzące pod wpływem obróbki cieplnej i cieplnych cykli spawania oraz ich wpływ na właściwości...
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Dynamic mechanical properties and thermal degradation process of the compositions obtained from unsaturated poly(ester urethanes) cross-linked with styrene
PublicationW pracy przedstawiono właściwości dynamiczno-mechaniczne oraz stabilność termiczną poli(estro uretanów) sieciowanych styrenem. Badane poli(estro uretany) syntetyzowano z nienasyconych oligomeroli opartych na cis-2-buten-1,4-diolu oraz 4,4`-diizocyjanianie difenylometanu. Wyniki badań dynamicznych właściwości mechanicznych otrzymanych poliuretanów potwierdziły separację fazową uzyskanych kompozycji. W pracy przedstawiono również...
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Few Layered Oxidized h-BN as Nanofiller of Cellulose-Based Paper with Superior Antibacterial Response and Enhanced Mechanical/Thermal Performance
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Promotion of MXene (Ti3C2Tx) as a robust electrocatalyst for oxygen evolution reaction via active sites of ZIF-67 - In situ mechanism investigations
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The Mechanism of the Osteoprotective Action of a Polyphenol-Rich Aronia melanocarpa Extract during Chronic Exposure to Cadmium is Mediated by the Oxidative Defense System
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Activity Evaluation and Selection of Some Classes of Antibiotics with the use of Semi-Empirical Quantum Mechanics and Quantitative Structure- Activity Relationships Approach
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Recent trends in advanced oxidation process-based degradation of erythromycin: Pollution status, eco-toxicity and degradation mechanism in aquatic ecosystems
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