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Search results for: HALOGEN BONDS
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Photoelectrochemical activity of visible light-responsive BiVO4@La1-xSrxFeO3-δ (x = 0, 0.2, 0.4) heterojunction architectures – Optimizing activity by tuning Fe O bond in perovskites
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Investor confidence and high financial literacy jointly shape investments in risky assets
PublicationHouseholds consistently invest less in equities and bonds than predicted by economic theory. We explain this from a behavioral economics perspective and distributional analysis using rich US survey microdata. We find that higher investor self-confidence in her financial abilities and financial literacy jointly increase the probability of investing in equities. Conditional on participation, confidence in the macroeconomy additionally...
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Crystallographic study of self-organization in the solid state including quasi-aromatic pseudo-ring stacking interactions in 1-benzoyl-3-(3,4-dimethoxyphenyl)thiourea and 1-benzoyl-3-(2-hydroxypropyl)thiourea
Publication1-Benzoylthioureas contain both carbonyl and thiocarbonyl functional groups and are of interest for their biological activity, metal coordination ability and involvement in hydrogen-bond formation. Two novel 1-benzoylthiourea derivatives, namely 1-benzoyl-3-(3,4-dimethoxyphenyl)thiourea, C₁₆H₁₆N₂O₃S, (I), and 1-benzoyl-3-(2-hydroxypropyl)thiourea, C₁₁H₁₄N₂O₂S, (II), have been synthesized and characterized. Compound (I) crystallizes...
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A competition between two- and three-body dissociation channels in photo-double-ionization of tetrahydro-2H-pyran and 3,4-dihydro-2H-pyran molecules
PublicationVarious molecules possess structures consisting of the heterocyclic rings containing oxygen atoms. These substances often play a significant role in many different fields of chemistry, medicine, and biology. Due to a specific atomic composition and bond arrangement, many of these molecules retain unique electronic properties, which may be probed by diverse spectroscopic techniques, including those utilizing synchrotron radiation....
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The hydrogen bond network structure within the hydration shell around simple osmolytes: Urea, tetramethylurea, and trimethylamine-N-oxide, investigated using both a fixed charge and a polarizable water model
PublicationDespite numerous experimental and computer simulation studies, a controversy still exists regarding the effect of osmolytes on the structure of surrounding water. There is a question, to what extent some of the contradictory results may arise from differences in potential models used to simulate the system or parameters employed to describe physical properties of the mixture and interpretation of the results. Bearing this in mind,...
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The hydrogen bond network structure within the hydration shell around simple osmolytes: Urea, tetramethylurea, and trimethylamine-N-oxide, investigated using both a fixed charge and a polarizable water model
PublicationDespite numerous experimental and computer simulation studies, a controversy still exists regarding the effect of osmolytes on the structure of surrounding water. There is a question, to what extent some of the contradictory results may arise from differences in potential models used to simulate the system or parameters employed to describe physical properties of the mixture and interpretation of the results. Bearing this in mind,...
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Structural and dynamic changes adopted by EmrE, multidrug transporter protein—Studies by molecular dynamics simulation
PublicationEmrE protein transports positively charged aromatic drugs (xenobiotics) in exchange for two protons and thus provides bacteria resistance to variety of drugs. In order to understand how this protein may recognize ligands, the monomer and asymmetric apo-form of the EmrE dimer embedded in a heterogeneous phospholipid (POPE + POPG) membrane were studied by molecular dynamics simulations. Dimer is regarded as a functional form of the...
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Pelvic bones, sacrum and coccyx - Female, 1 - Tissue image [5260730006537601]
Open Research DataThis is the histopathological image of BONES, JOINTS AND ARTICULAR CARTILAGE OF OTHER AND UNSPECIFIED SITES 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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Pelvic bones, sacrum and coccyx - Female, 71 - Tissue image [6160729594828091]
Open Research DataThis is the histopathological image of BONES, JOINTS AND ARTICULAR CARTILAGE OF OTHER AND UNSPECIFIED SITES 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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Pelvic bones, sacrum and coccyx - Female, 1 - Tissue image [5260730006531801]
Open Research DataThis is the histopathological image of BONES, JOINTS AND ARTICULAR CARTILAGE OF OTHER AND UNSPECIFIED SITES 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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Pelvic bones, sacrum and coccyx - Female, 1 - Tissue image [5260730006541571]
Open Research DataThis is the histopathological image of CONNECTIVE, SUBCUTANEOUS AND OTHER SOFT TISSUES 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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Pelvic bones, sacrum and coccyx - Female, 1 - Tissue image [5260730006542481]
Open Research DataThis is the histopathological image of BONES, JOINTS AND ARTICULAR CARTILAGE OF OTHER AND UNSPECIFIED SITES 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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Morphology, surface properties and photocatalytic activity of the bismuth oxyhalides semiconductors prepared by ionic liquid assisted solvothermal method
PublicationThis is the first report of the effect of the ILs cation type (imidazolium, pyridinium and pyrrolidinium) on the morphology, surface properties and photoactivity of BiOX semiconductors type obtained by solvothermal method in glycerol. The various ionic liquids (IL) cation type as a halogen source and templating agent for the synthesis of the bismuth oxyhalides nanoparticles has been systematically investigated. The role of ILs...
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DFT study of low-energy electron interaction with pyridine, pyrazine and their halo derivatives
PublicationIn this work, the density functional theory with B3LYP hybrid functional was employed to calculate quantities useful for estimating the behavior of pyridine, pyrazine and their derivatives monosubstituted with Cl or Br atom, when exposed to low-energy electron impact. Vertical electron affinities obtained in several Pople basis sets and in aug-cc-pVTZ basis set are reported. Although some of the investigated molecules do not form...
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On thio‐substituted N‐heterocyclic arsines
PublicationMetathesis of N-heterocyclic chloroarsines with sulfur-based nucleophiles furnished thio-substituted 1,3,2-diazarsolidines and 1,3,2-diazarsolenes. Crystallographic and NMR spectroscopic studies revealed that a thiocyanato-diazarsolene exhibits a salt-like structure composed of weakly interacting thiocyanate and arsenium ions, while the remaining products formed neutral molecules. The structural data indicate that the heterocyclic...
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Dissociative photo-double-ionization of the isoxazole molecules
PublicationThe five-membered heterocyclic rings are incorporated into a wide variety of structures that play a vital role in many biochemical processes. In particular, the isoxazole molecule appears in many bioactive compounds due to its unique ring structure that consists of one oxygen atom and one nitrogen atom at adjacent positions. The unique atomic composition and bond arrangement of isoxazole imply its specific electronic properties...
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Michał Michna dr hab. inż.
PeopleMichal Michna received the M.Sc. and Ph.D. degrees in electrical engineering from the Gdansk University of Technology (GUT), Gdansk, Poland, in 1998 and 2005, respectively. Since 2004, he was employed at the Department of Power Electronics and Electrical Machines of the Gdańsk University of Technology (assistant, assistant professor, senior lecturer). In 2010-2015 he was a deputy of head of the Department of Power Electronics and...
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Bonus Liber Sp. z o.o.
Publishing Houses -
Correlation between the Reactivity and Spectroscopic Properties of N-Substituted Secondary Thioamides. New Intramolecular N• •H+• •N Binding Approach and Proton Complexes Based on Thioamide Ligation
PublicationFrom a comparison of chem. shifts and wavenumbers of several secondary thioamides and amides having monocationic substituents attached to thiocarbamoyl or carbamoyl groups by a polymethylene chain, new intramol. unconventional N···H+···N H bonding effects were discovered. It is argued that the CH2-N rotation is hindered and two +H···NHMe nonequiv. protons occur in a proton spectrum of hydrochloride RCH2C(S)NH(CH2)3NHMe-HCl...
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Structural properties of hydration shell around various conformations of simple polypeptides
PublicationIn this paper we investigate structural properties of water within the solvation shell around the peptide core created by a well-defined conformation of polypeptide chain. The following secondary structures are investigated: linear (straight chain), and three helices PII (polyproline-like), 310, and α. We propose using the two-particle contribution to entropy as a rational measure of the water structural ordering within the solvation...
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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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Monomeric Triphosphinoboranes: Intramolecular Lewis Acid–Base Interactions between Boron and Phosphorus Atoms
PublicationHerein, we present the synthesis of the first fully characterized monomeric triphosphinoboranes. The simple reaction of boron tribromide with three equivalents of bulky lithium phosphide tBu2PLi yielded triphosphinoborane (tBu2P)3B. Triphosphinoboranes with diversified phosphanyl substituents were obtained via a two-step reaction, in which isolable bromodiphosphinoborane (tBu2P)2BBr is first formed and then reacts with one equivalent...
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Spectroscopic Study of Plasma Polymerized a-C:H Films Deposited by a Dielectric Barrier Discharge
PublicationPlasma polymerized a-C:H thin films have been deposited on Si (100) and aluminum coated glass substrates by a dielectric barrier discharge (DBD) operated at medium pressure using C2Hm/Ar (m = 2, 4, 6) gas mixtures. The deposited films were characterized by Fourier transform infrared reflection absorption spectroscopy (FT-IRRAS), Raman spectroscopy, and ellipsometry. FT-IRRAS revealed the presence of sp3 and sp2 C–H stretching and...
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Chemistry and Nanochemistry 2023
e-Learning CoursesWe start from General Chemistry, including: calculus in chemistry, bonds, balancing the chemical reactions, redox reactions, electrochemistry, pH, acids, bases, salts, oxides, organic molecules, and many informations about synthesis, analysis and applications in nanochemistry.
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Computational Study of Molecular Interactions in ZnCl2(urea)2 Crystals as Precursors for Deep Eutectic Solvents
PublicationDeep eutectic solvents (DESs) are now enjoying an increased scientific interest due to their interesting properties and growing range of possible applications. Computational methods are at the forefront of deciphering their structure and dynamics. Type IV DESs, composed of metal chloride and a hydrogen bond donor, are among the less studied systems when it comes to their understanding at a molecular level. An important example...
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The luminescence study of CsPbI3 nanoparticles embedded in Cs4PbI6 crystals.
Open Research DataCs4PbI6, as a rarely investigated member of the Cs4PbX6 (X is a halogen element) family, has been successfully synthesized atlow temperatures by collaborators from National Taiwan University. Strong red to near-infrared (NIR) emission properties have been detected, and its optical emission centers have been identified to be numerous embedded perovskite-type...
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Numerical modelling of POC dynamics in the southern Baltic under possible future conditions determined by nutrients, light and temperature**The study was financially supported by the Polish Ministry of Science and Higher Education (grants: NN305 111636 and NN306 404338) and Baltic-C – the BONUS funded project.
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BONES, JOINTS AND ARTICULAR CARTILAGE OF OTHER AND UNSPECIFIED SITES, Ilium - Female, 3 - Tissue image [5240730032354091]
Open Research DataThis is the histopathological image of BONES, JOINTS AND ARTICULAR CARTILAGE OF OTHER AND UNSPECIFIED SITES 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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BONES, JOINTS AND ARTICULAR CARTILAGE OF OTHER AND UNSPECIFIED SITES, Ilium - Female, 1 - Tissue image [5240730032368441]
Open Research DataThis is the histopathological image of BONES, JOINTS AND ARTICULAR CARTILAGE OF OTHER AND UNSPECIFIED SITES 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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BONES, JOINTS AND ARTICULAR CARTILAGE OF OTHER AND UNSPECIFIED SITES, Ilium - Male, 12 - Tissue image [5280730021713391]
Open Research DataThis is the histopathological image of BONES, JOINTS AND ARTICULAR CARTILAGE OF OTHER AND UNSPECIFIED SITES 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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BONES, JOINTS AND ARTICULAR CARTILAGE OF OTHER AND UNSPECIFIED SITES, Ilium - Male, 12 - Tissue image [5280730021718231]
Open Research DataThis is the histopathological image of BONES, JOINTS AND ARTICULAR CARTILAGE OF OTHER AND UNSPECIFIED SITES 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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BONES, JOINTS AND ARTICULAR CARTILAGE OF OTHER AND UNSPECIFIED SITES, Ilium - Male, 12 - Tissue image [5280730021714931]
Open Research DataThis is the histopathological image of BONES, JOINTS AND ARTICULAR CARTILAGE OF OTHER AND UNSPECIFIED SITES 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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BONES, JOINTS AND ARTICULAR CARTILAGE OF OTHER AND UNSPECIFIED SITES, Ilium - Male, 2 - Tissue image [5280730021706441]
Open Research DataThis is the histopathological image of BONES, JOINTS AND ARTICULAR CARTILAGE OF OTHER AND UNSPECIFIED SITES 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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BONES, JOINTS AND ARTICULAR CARTILAGE OF OTHER AND UNSPECIFIED SITES, Ilium - Male, 2 - Tissue image [5240730032356661]
Open Research DataThis is the histopathological image of BONES, JOINTS AND ARTICULAR CARTILAGE OF OTHER AND UNSPECIFIED SITES 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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BONES, JOINTS AND ARTICULAR CARTILAGE OF OTHER AND UNSPECIFIED SITES, Ilium - Female, 3 - Tissue image [5240730032354681]
Open Research DataThis is the histopathological image of BONES, JOINTS AND ARTICULAR CARTILAGE OF OTHER AND UNSPECIFIED SITES 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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BONES, JOINTS AND ARTICULAR CARTILAGE OF OTHER AND UNSPECIFIED SITES, Ilium - Male, 1 - Tissue image [52407300323651]
Open Research DataThis is the histopathological image of BONES, JOINTS AND ARTICULAR CARTILAGE OF OTHER AND UNSPECIFIED SITES 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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BONES, JOINTS AND ARTICULAR CARTILAGE OF OTHER AND UNSPECIFIED SITES, Ilium - Male, 2 - Tissue image [5240730032353631]
Open Research DataThis is the histopathological image of BONES, JOINTS AND ARTICULAR CARTILAGE OF OTHER AND UNSPECIFIED SITES 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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BONES, JOINTS AND ARTICULAR CARTILAGE OF OTHER AND UNSPECIFIED SITES, Ilium - Female, 12 - Tissue image [5280730021712161]
Open Research DataThis is the histopathological image of BONES, JOINTS AND ARTICULAR CARTILAGE OF OTHER AND UNSPECIFIED SITES 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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BONES, JOINTS AND ARTICULAR CARTILAGE OF OTHER AND UNSPECIFIED SITES, Ilium - Male, 12 - Tissue image [5280730021711231]
Open Research DataThis is the histopathological image of BONES, JOINTS AND ARTICULAR CARTILAGE OF OTHER AND UNSPECIFIED SITES 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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BONES, JOINTS AND ARTICULAR CARTILAGE OF OTHER AND UNSPECIFIED SITES, Ilium - Male, 2 - Tissue image [5280730021703671]
Open Research DataThis is the histopathological image of BONES, JOINTS AND ARTICULAR CARTILAGE OF OTHER AND UNSPECIFIED SITES 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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BONES, JOINTS AND ARTICULAR CARTILAGE OF OTHER AND UNSPECIFIED SITES, Ilium - Male, 1 - Tissue image [7040247104953501]
Open Research DataThis is the histopathological image of BONES, JOINTS AND ARTICULAR CARTILAGE OF OTHER AND UNSPECIFIED SITES 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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BONES, JOINTS AND ARTICULAR CARTILAGE OF OTHER AND UNSPECIFIED SITES, Ilium - Male, 12 - Tissue image [5280730021714851]
Open Research DataThis is the histopathological image of BONES, JOINTS AND ARTICULAR CARTILAGE OF OTHER AND UNSPECIFIED SITES 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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BONES, JOINTS AND ARTICULAR CARTILAGE OF OTHER AND UNSPECIFIED SITES, Ilium - Female, 3 - Tissue image [5240730032358851]
Open Research DataThis is the histopathological image of BONES, JOINTS AND ARTICULAR CARTILAGE OF OTHER AND UNSPECIFIED SITES 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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BONES, JOINTS AND ARTICULAR CARTILAGE OF OTHER AND UNSPECIFIED SITES, Ilium - Male, 1 - Tissue image [524073003236781]
Open Research DataThis is the histopathological image of BONES, JOINTS AND ARTICULAR CARTILAGE OF OTHER AND UNSPECIFIED SITES 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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BONES, JOINTS AND ARTICULAR CARTILAGE OF OTHER AND UNSPECIFIED SITES, Ilium - Female, 1 - Tissue image [5240730032369421]
Open Research DataThis is the histopathological image of BONES, JOINTS AND ARTICULAR CARTILAGE OF OTHER AND UNSPECIFIED SITES 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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BONES, JOINTS AND ARTICULAR CARTILAGE OF OTHER AND UNSPECIFIED SITES, Ilium - Female, 1 - Tissue image [5240730032363521]
Open Research DataThis is the histopathological image of BONES, JOINTS AND ARTICULAR CARTILAGE OF OTHER AND UNSPECIFIED SITES 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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BONES, JOINTS AND ARTICULAR CARTILAGE OF OTHER AND UNSPECIFIED SITES, Ilium - Male, 1 - Tissue image [7040247104955971]
Open Research DataThis is the histopathological image of BONES, JOINTS AND ARTICULAR CARTILAGE OF OTHER AND UNSPECIFIED SITES 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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BONES, JOINTS AND ARTICULAR CARTILAGE OF OTHER AND UNSPECIFIED SITES, Ilium - Female, 12 - Tissue image [5280730021715351]
Open Research DataThis is the histopathological image of BONES, JOINTS AND ARTICULAR CARTILAGE OF OTHER AND UNSPECIFIED SITES 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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BONES, JOINTS AND ARTICULAR CARTILAGE OF OTHER AND UNSPECIFIED SITES, Ilium - Female, 1 - Tissue image [5240730032368851]
Open Research DataThis is the histopathological image of BONES, JOINTS AND ARTICULAR CARTILAGE OF OTHER AND UNSPECIFIED SITES 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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Comparison of classical and modern approach of determination of highly polar compounds by High Performance Liquid Chromatography coupled with Tandem Mass Spectrometry
PublicationAbstract: Sugars and sugar alcohols are known as highly polar compounds. Four analytes were taken into consideration for comparison of classical and modern approach of separation of highly polar substances. Mannitol was chosen as an example of simple sugar alcohol, sucrose and lactulose as examples of disaccharides and structural isomers, raffinose as an example of complex trisaccharide. Raffinose was also used as internal standard...