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Search results for: DISULFIDE BOND FORMATION
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Synthesis and Spectroscopic Properties of New Bis-tetrazoles
PublicationSyntheses of N,N'-phenyltetrazole podands link with aliphatic chains containing oxygen, nitrogen and sulphur atoms, are described. The complexing properties of these compounds towards metal cations (Fe2+, Cu2+, Zn2+, Co2+, Ni2+) were investigated by absorption and infrared spectroscopy. The UV-Vis titrations were performed to estimate the stability constant values of the respective complexes with Cu2+ ion. Changes in UV-Vis absorption...
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Dissociative electron attachment and anion-induced dimerization in pyruvic acid
PublicationWe report partial cross sections for the dissociative electron attachment to pyruvic acid. A rich fragmentation dynamics is observed. Electronic structure calculations facilitate the identification of complex rearrangement reactions that occur during the dissociation. Furthermore, a number of fragment anions produced at electron energies close to 0 eV are observed, that cannot originate from single electron-molecule collisions....
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Synthesis, spectroscopy and computational studies of some biologically important hydroxyhaloquinolines and their novel derivatives
PublicationA series crystalline compounds of methyl and phosphinyl derivatives of 2-methylquinolin-8-ol (1a) and related 5,7-dichloro-2-methylquinolin-8-ol (1b) were quantitatively prepared and characterized by microanalysis, IR, UV-vis and multinuclear NMR spectroscopy. Five of them have been characterized by single crystal X-ray diffraction method. The known compounds, 8-methoxy-2-methylquinoline (2a) and 8-methoxyquinoline (2d), were synthesised...
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Waterborne polyesters partially based on renewable resources
PublicationA new experimental approach for preparing biobased, water-soluble polyesters via titanium(IV) n-butoxide-catalyzed bulk polycondensation is presented. In the described method polymers were obtained from isosorbide, maleic anhydride and poly(ethylene glycol). The chemical structure of the synthesized polyesters was confirmed using 2D NMR spectroscopy and by titration methods. Careful analysis of 2D NMR spectra viz. Correlation Spectra...
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Hydration of Oxometallate Ions in Aqueous Solution
PublicationThe strength of hydrogen bonding to and structure of hydrated oxometallate ions in aqueous solution have been studied by double difference infrared (DDIR) spectroscopy and large-angle X-ray scattering (LAXS), respectively. Anions are hydrated by accepting hydrogen bonds from the hydrating water molecules. The oxygen atom of the permanganate and perrhenate ions form weaker and longer hydrogen bonds to water than the hydrogen bonds...
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Cooperativity of Halogen- and Chalcogen-Bonding Interactions in the Self-Assembly of 4‑Iodoethynyl- and 4,7-Bis(iodoethynyl)benzo-2,1,3-chalcogenadiazoles: Crystal Structures, Hirshfeld Surface Analyses, and Crystal Lattice Energy Calculations
PublicationSeveral new 4-iodoethynyl- and 4,7-bis- (iodoethynyl)benzo-2,1,3-chalcogenadiazoles were prepared, and a comprehensive analysis of the most prominent secondary bonding interactions responsible for the crystal self-assembly was performed using X-ray diffraction. The presence of both the iodoethynyl and chalcogenadiazole moieties allows an evaluation of the preference of these molecules to aggregate through either chalcogen- or halogen-bonding...
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Anisotropic mechanical behavior and auxeticity of penta-graphene: Molecular statics/molecular dynamics studies
PublicationWe investigate the mechanical properties of penta-graphene (PG), a recently proposed two-dimensional carbon allotrope using atomistic simulation techniques combined with the empirical description of interatomic interactions. We report on the dependence of its three in-plane mechanical moduli (i.e. Young's modulus, Poisson's ratio and shear modulus) on the deformation direction, strain and temperature. We show that PG displays a...
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Superconductivity in Metal-Rich Chalcogenide Ta2Se
PublicationThe metal–metal bond in metal-rich chalcogenide is known to exhibit various structures and interesting physical properties. Ta2Se can be obtained by both arc-melting and solid-state pellet methods. Ta2Se crystallizes a layered tetragonal structure with space group P4/nmm (No. 129; Pearson symbol tP6). Each unit cell consists of four layers of body-centered close-packing Ta atoms sandwiched between two square nets of Se atoms, forming...
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Physical crosslinking of hyaluronic acid in the presence of phospholipids in an aqueous nano-environment
PublicationHyaluronic acid and phospholipids are two components in the synovial joint cavity that contribute to joint lubrication synergistically. Molecular dynamics simulations were performed and hydrogen bonds in hyaluronic acid were analyzed to identify specific sites that are responsible for its physical cross-linking. Two molecular masses of hyaluronic acid, 10 kDa and 160 kDa, were considered. We use molecular dynamics simulations and...
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Novel, Fully Biobased Semicrystalline Polyamides
PublicationNovel, semicrystalline polyamides and co(polyamides) were synthesized from biobased sebacic acid (SA), 2,5-diamino-2,5-dideoxy-1,4;3,6-dianhydroiditol (diaminoisoidide, DAII) as well as from 1,4-diaminobutane (DAB), also known as putrescine in nature. Low molecular weight polyamides were obtained by melt polycondensation of the salts based on these monomers or by interfacial polycondensation. In order to increase their molecular...
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Molecular hydrogen solvated in water – A computational study
PublicationThe aqueous hydrogen molecule is studied with molecular dynamics simulations at ambient temperature and pressure conditions, using a newly developed flexible and polarizable H2 molecule model. The design and implementation of this model, compatible with an existing flexible and polarizable force field for water, is presented in detail. The structure of the hydration layer suggests that first-shell water molecules accommodate the...
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Properties of water in the region between a tubulin dimer and a single motor head of kinesin
PublicationA kinesin is a molecular motor that can perform movement on a microtubule track in a stepping-like manner. This motion is connected with processes of association and dissociation of kinesin and tubulin. Water is an important participant in these kinds of molecular interactions. This is why we have decided to investigate the dynamical and structural properties of water in the region between the kinesin catalytic domain and the tubulin...
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Characterization of glucoamylase immobilized on magnetic nanoparticles
PublicationMagnetic support was prepared by precipitation from an alkaline solution of divalent and trivalent iron ions and subsequently was modified with 3-aminopropyltriethoxysilane. FTIR analysis showed existence of a new Si-O-Fe bond in obtained particles. Scanning electronic microscopy images shows that the nanoparticles of all samples have particle size below 30 nm. Glucoamylase AMG 300L was immobilized onto the modified magnetic support...
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Ab initio chemical kinetics of Isopropyl acetate oxidation with OH radicals
PublicationGlobal reactivity descriptors of isopropyl acetate (IPA) and thermo-kinetic aspects of its oxidation via OH radicals have been studied. Transition state theory (TST) was utilized to estimate the bimolecular rate constants. Ten oxidation pathways have been investigated, and all of them are exothermic. The potential energy diagram has been sketched using different pre- and post-reactive complexes for all reaction pathways. Rate coefficient...
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Dictionnaires bilingues, patrimoine culturel et enseignement du français
PublicationL’enseignement des faits de culture, en particulier des phrasèmes, est considéré comme une urgence pour la formation du citoyen actif, d’où l’importance du recours aux dictionnaires bilingues. Or, si le recours à ces supports est fréquent chez les apprenants, il n’est pas recommandé par les enseignants. Notre objectif est de montrer que le recours aux dictionnaires bilingues doit être dosé et que le mode de consultation de ces...
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Stimulated by cyclodextrins high yield synthesis of azocrown analogues comprising pyrrole or imidazole residues
PublicationThe influence of cyclodextrins (CDs) on the formation of azocrown ethers comprising pyrrole, imidazole and substituted imidazole has been studied. Pyrrole, imidazole, 2-methyl-, 4-methyl- and 4-phenylimidazole were coupled with bisdiazonium salts derived from bis-1,5-(2-aminophenoxy)-3-oxapentane or bis-1,8-(2-aminophenoxy)-3,6-dioxaoctane to form macrocyclic compounds with two azo units. The syntheses were performed under standard...
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Kinetics of cross-linking processes of fast-curing polyurethane system
PublicationThis work focuses on the application of thermal analysis and kinetics investigations to analyze chemical processes during cross-linking of the complex fast-curing polyurethane system. Non-isothermal Differential Scanning Calorimetry (DSC) measurements were performed for both stoichiometric mixtures of polyol and isocyanate component and for mixture with large isocyanate excess. Isoconversional methods were used to calculate initial...
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Developing Novel Solutions to Realise the European Energy - Information Sharing & Analysis Centre
PublicationFor more effective decision making in preparation for and response to cyberevents in the energy sector, multilevel situation awareness, from technical to strategic is essential. With an uncertain picture of evolving threats, sharing of the latest cybersecurity knowledge among all sector stakeholders can inform and improve decisions and responses. This paper describes two novel solutions proposed during the formation of the European...
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Low temperature deposition of dense MnCo 2 O 4 protective coatings for steel interconnects of solid oxide cells
PublicationIn this work manganese cobalt spinel (MnCo2O4) coatings were deposited on steel substrates by spray pyrolysis at 390 °C. This is at much lower temperatures than previously reported (typically in excess of 900 °C). It was possible to produce coatings with well controlled thickness (2-5-10 μm). The as-deposited coatings were evaluated for their microstructural changes and electrical conductivity up to 800 °C. Results confirm the...
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Structure elucidation of carbamoylo-β-lactam diastereoisomers by ROESY and NOESY experiments
PublicationRecently we have focused in the problem of preparation of carbamoylo-β-lactams as a result of oxidative cyclization of malonyl enamides. In our experiments we obtain mixture of two main β-lactam products: as a result of subsequent elimination and a second as a product of substitution. All of the produced β-lactams have trans configuration what was confirmed by 1H coupling constants. However id should be stressed that in the case...
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Ferro- and antiferro-magnetism in (Np, Pu)BC
PublicationTwo new transuranium metal boron carbides, NpBC and PuBC, have been synthesized. Rietveld refinements of powder XRD patterns of {Np,Pu} BC confirmed in both cases isotypism with the structure type of UBC. Temperature dependent magnetic susceptibility data reveal antiferromagnetic ordering for PuBC below T-N = 44 K, whereas ferromagnetic ordering was found for NpBC below T-C = 61 K. Heat capacity measurements prove the bulk character...
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The networking of the justice system as part of public court networks
PublicationThe goal of this paper is to look at the organizational structure of the justice system and provide the answer to the basic question of the possible network relations, their force, and imapct. As part od the paper, I have defined public inetrorganisational court network, dividing them into regulatory inter-organisational networks nad voluntary inetrorganisational networks. Emphasis has also been placed on the benefits and threats...
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The ILs-assisted electrochemical synthesis of TiO2 nanotubes: The effect of ionic liquids on morphology and photoactivity
PublicationFacile and environmentally benign one-step titanium anodization method for TiO2 nanotubes (NTs) formation in a presence of ionic liquids (ILs) was proposed. Influence of the IL structure and its content in ethylene glycol electrolyte on morphology, surface properties and photoactivity of the TiO2 NTs was investigated. Possible interactions between IL and TiO2 NTs as well as the mechanism of NTs formation during anodic oxidation...
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Pulsed Laser Deposition of Bismuth Vanadate Thin Films—The Effect of Oxygen Pressure on the Morphology, Composition, and Photoelectrochemical Performance
PublicationThin layers of bismuth vanadate were deposited using the pulsed laser deposition technique on commercially available FTO (fluorine-doped tin oxide) substrates. Films were sputtered from a sintered, monoclinic BiVO4 pellet, acting as the target, under various oxygen pressures (from 0.1 to 2 mbar), while the laser beam was perpendicular to the target surface and parallel to the FTO substrate. The oxygen pressure strongly affects...
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Porous carbon derived from rice husks as sustainable bioresources: insights into the role of micro-/mesoporous hierarchy in hosting active species for lithium–sulphur batteries
PublicationThe exploration of natural resources as sustainable precursors affords a family of green materials. Exploring highly abundant and available biowaste precursors remaining from food processing throughout a scalable and cost-effective material synthesis path is highly important especially for new materials discovery in emerging energy storage technologies such as lithium–sulphur (Li–S) batteries. Herein, we have produced a series...
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Development of nanoscale morphology and role of viscoelastic phase separation on the properties of epoxy/recycled polyurethane blends
PublicationA novel and cost-effective approach towards the modification of epoxy matrix has been developed using recycled polyurethane for the first time without sacrificing any of the intrinsic properties of the resin. Polyurethane, recycled from waste foam by glycolysis process (RPU), was found to be very effective in improving the properties of the thermosetting resin based on Diglycidyl ether of bisphenol-A (DGEBA). The effect of the...
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Acetate-Induced Disassembly of Spherical Iron Oxide Nanoparticle Clusters into Monodispersed Core−Shell Structures upon Nanoemulsion Fusion
PublicationIt has been long known that the physical encapsulation of oleic acid-capped iron oxide nanoparticles (OA−IONPs) with the etyltrimethylammonium (CTA+) surfactant induces the formation of spherical iron oxide nanoparticle clusters (IONPCs). However, the behavior and functional properties of IONPCs in chemical reactions have been largely neglected and are still not well-understood. Herein, we report an unconventional ligand-exchange...
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The ILs-assisted solvothermal synthesis of TiO2 spheres: the effect of ionic liquids on morphology and photoactivity of TiO2
PublicationEffect of the ionic liquid (IL) structure (chain length in the imidazolium cation) on morphology and photoactivity of TiO2 particles has been systematically investigated. The TiO2 microspheres have been successfully synthesized via facile solvothermal method assisted by ionic liquids, such as 1-butyl-3-methylimidazolium chloride [BMIM][Cl] and 1-decyl-3-methylimidazolium chloride [DMIM][Cl] using tetra-tert-butyl orthotitanate...
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"Raport z wstępnych badań własności stali trudnościeralnej 460HB",. ang "Report on preliminary tests of the properties of wear-resistant steel 460HB"
PublicationMikrostrukturę badanej stali trudnościeralnej 460HB stanowi drobnoziarnisty martenzyt odpuszczony, który jest właściwy dla stali konstrukcyjnych niskowęglowych, niskostopowych ulepszonych cieplnie. W przypadku blach grubych, do których zalicza się badana stal, struktura może ulec zaburzeniu, jeżeli w hutniczym procesie wytwórczym wystąpiła niejednorodność odkształcenia plastycznego i w konsekwencji tworzenie się pasm segregacyjnych,...
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Malignant neoplasm of breast - Female, 48 - Tissue image [2270630026318631]
Open Research DataThis is the histopathological image of BREAST tissue sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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Malignant neoplasm of breast - Female, 48 - Tissue image [2270630026308641]
Open Research DataThis is the histopathological image of BREAST tissue sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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Malignant neoplasm of breast - Female, 48 - Tissue image [227063002630301]
Open Research DataThis is the histopathological image of BREAST tissue sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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Duct adenocarcinoma, NOS - Female, 66 - Tissue image [12010630011266741]
Open Research DataThis is the histopathological image of BREAST tissue sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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Malignant neoplasm of breast - Female, 48 - Tissue image [2270630026307681]
Open Research DataThis is the histopathological image of BREAST tissue sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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Duct adenocarcinoma, NOS - Female, 66 - Tissue image [12010630011279581]
Open Research DataThis is the histopathological image of BREAST tissue sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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Duct adenocarcinoma, NOS - Female, 66 - Tissue image [12010630011264241]
Open Research DataThis is the histopathological image of BREAST tissue sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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Malignant neoplasm of breast - Female, 48 - Tissue image [2270630026303291]
Open Research DataThis is the histopathological image of BREAST tissue sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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Moderate cervical dysplasia - Female, 50 - Tissue image [5130730017408141]
Open Research DataThis is the histopathological image of CERVIX UTERI tissue sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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Duct adenocarcinoma, NOS - Female, 66 - Tissue image [12010630011279081]
Open Research DataThis is the histopathological image of BREAST tissue sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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Preterm labour with preterm delivery - Male, 0 - Tissue image [3280730025607421]
Open Research DataThis is the histopathological image of BRONCHUS AND LUNG tissue sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: VS200 Olympus slide scanner (20x magnification) and saved to DICOM format.
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Malignant neoplasm of breast - Female, 48 - Tissue image [2270630026305531]
Open Research DataThis is the histopathological image of BREAST tissue sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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Malignant neoplasm of breast - Female, 48 - Tissue image [2270630026306101]
Open Research DataThis is the histopathological image of BREAST tissue sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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Malignant neoplasm of breast - Female, 48 - Tissue image [2270630026311441]
Open Research DataThis is the histopathological image of BREAST tissue sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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Malignant neoplasm of breast - Female, 48 - Tissue image [2270630026303221]
Open Research DataThis is the histopathological image of BREAST tissue sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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Malignant neoplasm of breast - Female, 48 - Tissue image [2270630026307101]
Open Research DataThis is the histopathological image of BREAST tissue sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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Malignant neoplasm of breast - Female, 48 - Tissue image [227063002630261]
Open Research DataThis is the histopathological image of BREAST tissue sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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Moderate cervical dysplasia - Female, 50 - Tissue image [5130730017408051]
Open Research DataThis is the histopathological image of CERVIX UTERI tissue sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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Preterm labour with preterm delivery - Male, 0 - Tissue image [3280730025602201]
Open Research DataThis is the histopathological image of BRONCHUS AND LUNG tissue sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: VS200 Olympus slide scanner (20x magnification) and saved to DICOM format.
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Moderate cervical dysplasia - Female, 50 - Tissue image [5130730017406771]
Open Research DataThis is the histopathological image of CERVIX UTERI tissue sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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Preterm labour with preterm delivery - Male, 0 - Tissue image [3280730025602101]
Open Research DataThis is the histopathological image of BRONCHUS AND LUNG tissue sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: VS200 Olympus slide scanner (20x magnification) and saved to DICOM format.