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Search results for: protein structure prediction, multiscale modeling, unres force field, free and bioinformatics-assisted modeling, replica-exchange molecular dynamics
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SEM images of (La0.3Sr0.6Ce0.1)0.9Me0.1Ti0.9O3-δ (Me=Co, Fe, Ni) powder materials after reduction at 1000 deg.C in hydrogen
Open Research DataThe dataset presents SEM images of (La0.3Sr0.6Ce0.1)0.9Me0.1Ti0.9O3-δ (Me=Co, Fe, Ni) powder materials after reduction at 1000 deg.C in hydrogen. The powders were synthesized via the Pechini method. The reduction was performed in order to force the exsolution process of metallic nanoparticles.
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Structural investigations of the LTO:Cu thin films
Open Research DataLithium titanate (Li1+xTi2-xO4) doped with Cu2+ ions was synthesized by sol-gel processing method. The structure was characterized by X-ray Diffraction (XRD). All samples revealed presence of LTO spinel phase. X-ray pattern of undoped LTO was free of any impurities and other crystal phases. Similarly, samples with low amount of copper dopant (x = 0.05...
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The scanning tunnelling micrographs of highly oriented pyrolytic graphite
Open Research DataThe dataset contains the results imaging of a sample of highly oriented pyrolytic graphite obtained using scanning tunneling microscopy. The above variant of scanning probe microscopy is one of the most convenient research techniques at atomic scales. The file contains images corresponding to increasing magnifications from the 1 um scale to a few nanometers....
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The TPO oxidation profile of CeO2/10wt.%Co with BCD - prereduced
Open Research DataThe dataset includes the TPO oxidation profiles of CeO2/10wt.%Co. The samples of nanoCeO2 impregnated with BCD-assisted precursor solution (betacyclodextrin). The dataset includes oxidation profile of the prereduced sample.
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The TPO oxidation profile of CeO2/10wt.%Mn with BCD - prereduced
Open Research DataThe dataset includes the TPO oxidation profiles of CeO2/10wt.%Mn. The samples of nanoCeO2 impregnated with BCD-assisted precursor solution (betacyclodextrin). The dataset includes oxidation profile of the prereduced sample.
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The TPO oxidation profile of CeO2/10wt.%Ni with BCD - prereduced
Open Research DataThe dataset includes the TPO oxidation profiles of CeO2/10wt.%Ni. The samples of nanoCeO2 impregnated with BCD-assisted precursor solution (betacyclodextrin). The dataset includes oxidation profile of the prereduced sample.
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The TPO oxidation profile of CeO2/10wt.%Cu with BCD - prereduced
Open Research DataThe dataset includes the TPO oxidation profiles of CeO2/10wt.%Cu. The samples of nanoCeO2 impregnated with BCD-assisted precursor solution (betacyclodextrin). The dataset includes oxidation profile of the prereduced sample.
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The TPO oxidation profile of CeO2/10wt.%Fe with BCD - prereduced
Open Research DataThe dataset includes the TPO oxidation profiles of CeO2/10wt.%Fe. The samples of nanoCeO2 impregnated with BCD-assisted precursor solution (betacyclodextrin). The dataset includes oxidation profile of the prereduced sample.
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SEM images of (La0.3Sr0.6Ce0.1)0.9(Me1Me2Ti)O3-δ (Me1,Me2=Co, Fe, Ni) powder materials after reduction at 1000 deg.C in hydrogen
Open Research DataThe dataset presents SEM images of (La0.3Sr0.6Ce0.1)0.9(Me1Me2Ti)O3-δ (Me1,Me2=Co, Fe, Ni) powder materials after reduction at 1000 deg.C in hydrogen. The powders were synthesized via the Pechini method. The reduction was performed to force the exsolution process of bimetallic nanoparticles.
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The TPO oxidation profile of CeO2/10wt.%Cu without BCD - prereduced
Open Research DataThe dataset includes the TPO oxidation profiles of CeO2/10wt.%Cu. The samples of nanoCeO2 impregnated without BCD-assisted precursor solution (betacyclodextrin). The dataset includes oxidation profile of the prereduced sample.
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The TPO oxidation profile of CeO2/10wt.%Mn without BCD - prereduced
Open Research DataThe dataset includes the TPO oxidation profiles of CeO2/10wt.%Mn. The samples of nanoCeO2 impregnated without BCD-assisted precursor solution (betacyclodextrin). The dataset includes oxidation profile of the prereduced sample.
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The TPO oxidation profile of CeO2/10wt.%Co without BCD - prereduced
Open Research DataThe dataset includes the TPO oxidation profiles of CeO2/10wt.%Co. The samples of nanoCeO2 impregnated without BCD-assisted precursor solution (betacyclodextrin). The dataset includes oxidation profile of the prereduced sample.
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The TPO oxidation profile of CeO2/10wt.%Ni without BCD - prereduced
Open Research DataThe dataset includes the TPO oxidation profiles of CeO2/10wt.%Ni. The samples of nanoCeO2 impregnated without BCD-assisted precursor solution (betacyclodextrin). The dataset includes oxidation profile of the prereduced sample.
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The XRD pattern of CeO2/10wt.%Co prepared with BCD
Open Research DataThe dataset includes the XRD pattern of CeO2/10wt.%Co. The samples of nanoCeO2 were impregnated with BCD-assisted precursor solution (betacyclodextrin). The dataset includes the 5-90 2theta degree measurement.
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Exemplary AFM application in cosmetology
Open Research DataAtomic force microscopy can be used in the diagnosis of the condition of human tissues such as skin, nails and hair. This is obviously related to the use of a variety of cosmetic products and can be understood as an attempt to assess their long-term impact on human appearance and health. An example may be the studies presented in [1] indicating the...
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Autocorrelation function for the chosen effective potential of the diatomic silver anion
Open Research DataThe process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...
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Stochastic intervals for the family of quadratic maps
Open Research DataNumerical analysis of chaotic dynamics is a challenging task. The one-parameter families of logistic maps and closely related quadratic maps f_a(x)=a-x^2 are well-known examples of such dynamical systems. Determining parameter values that yield stochastic-like dynamics is especially difficult, because although this set has positive Lebesgue measure,...
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XPS data of deuterium and hydrogen grown boron-doped diamond
Open Research DataThe high-resolution C1s X-ray absorption spectra of BDD@H and BDD@D samples were measured using the facilities of the HE-SGM beamline (HE-SGM) at the BESSY II synchrotron radiation source of Helmholtz–Zentrum Berlin (HZB).[90] The measurements were carried out under ultra-high vacuum conditions: P ≈ 2×10−9 Torr at T = 300 K. The NEXAFS spectra were...
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The TPR reduction profile of CeO2/10wt.%Cu with BCD - 2 cycles
Open Research DataThe dataset includes the TPR reduction profiles of CeO2/10wt.%Cu. The samples of nanoCeO2 impregnated with BCD-assisted precursor solution (betacyclodextrin). The dataset includes two cycles of reduction (samples oxidized in between)
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The TPR reduction profile of CeO2/10wt.%Mn with BCD - 2 cycles
Open Research DataThe dataset includes the TPR reduction profiles of CeO2/10wt.%Mn. The samples of nanoCeO2 impregnated with BCD-assisted precursor solution (betacyclodextrin). The dataset includes two cycles of reduction (samples oxidized in between)
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The TPR reduction profile of CeO2/10wt.%Co with BCD - 2 cycles
Open Research DataThe dataset includes the TPR reduction profiles of CeO2/10wt.%Co. The samples of nanoCeO2 impregnated with BCD-assisted precursor solution (betacyclodextrin). The dataset includes two cycles of reduction (samples oxidized in between)
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The TPR reduction profile of CeO2/10wt.%Ni with BCD - 2 cycles
Open Research DataThe dataset includes the TPR reduction profiles of CeO2/10wt.%Ni. The samples of nanoCeO2 impregnated with BCD-assisted precursor solution (betacyclodextrin). The dataset includes two cycles of reduction (samples oxidized in between)
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The TPR reduction profile of CeO2/10wt.%Fe with BCD - 2 cycles
Open Research DataThe dataset includes the TPR reduction profiles of CeO2/10wt.%Fe. The samples of nanoCeO2 impregnated with BCD-assisted precursor solution (betacyclodextrin). The dataset includes two cycles of reduction (samples oxidized in between)
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Results of AFM examination of acrylic bone cements incorporating various components
Open Research DataThe database contains the images of the surface topography of modified bone cements observed with the atomic force microscopy (AFM). The following modifications were evaluated: the addition of biodegradable components (including chitosan, cellulose, tricalcium phosphate, polydioxanone or magnesium), the addition of bioactive components (bioglasses)...
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The TPR reduction profile of CeO2/10wt.%Co without BCD - 2 cycles
Open Research DataThe dataset includes the TPR reduction profiles of CeO2/10wt.%Co. The samples of nanoCeO2 impregnated without BCD-assisted precursor solution (betacyclodextrin). The dataset includes two cycles of reduction (samples oxidized in between)
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The TPR reduction profile of CeO2/10wt.%Ni without BCD - 2 cycles
Open Research DataThe dataset includes the TPR reduction profiles of CeO2/10wt.%Ni. The samples of nanoCeO2 impregnated without BCD-assisted precursor solution (betacyclodextrin). The dataset includes two cycles of reduction (samples oxidized in between)
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The TPR reduction profile of CeO2/10wt.%Cu without BCD - 2 cycles
Open Research DataThe dataset includes the TPR reduction profiles of CeO2/10wt.%Cu. The samples of nanoCeO2 impregnated without BCD-assisted precursor solution (betacyclodextrin). The dataset includes two cycles of reduction (samples oxidized in between)
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The TPR reduction profile of CeO2/10wt.%Mn without BCD - 2 cycles
Open Research DataThe dataset includes the TPR reduction profiles of CeO2/10wt.%Mn. The samples of nanoCeO2 impregnated without BCD-assisted precursor solution (betacyclodextrin). The dataset includes two cycles of reduction (samples oxidized in between)
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Colvolutional calibration of AFM probe
Open Research DataAtomic force microscopy is based on the interaction of the examined surface with a probe of a pyramidal shape, tipped with a sharp end with a radius of curvature ranging from single nanometers to hundreds of nanometers. The resolution of the obtained image is of course dependent on the above-mentioned geometric size, and the resulting image is a convolutional...
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BET adsorption-desorption isotherm of nano-MgO
Open Research DataThe dataset includes the isotherms of adortion and desorption of N2 at LN2 temperature. The sorption isotherms were obtained using Quatachrome NovaTouch LX1 equippment. The ceramic measured powder was composed of nanometric MgO (CA-assisted method of synthesis)
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BET adsorption-desorption isotherm of nano-ZrO2
Open Research DataThe dataset includes the isotherms of adortion and desorption of N2 at LN2 temperature. The sorption isotherms were obtained using Quatachrome NovaTouch LX1 equippment. The ceramic measured powder was composed of nanometric ZrO2 (CA-assisted method of synthesis)
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BET adsorption-desorption isotherm of nano-SrTiO3
Open Research DataThe dataset includes the isotherms of adortion and desorption of N2 at LN2 temperature. The sorption isotherms were obtained using Quatachrome NovaTouch LX1 equippment. The ceramic measured powder was composed of nanometric SrTiO3 (CA-assisted method of synthesis)
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Construction, production and evaluation of the diagnostic utility of a recombinant Toxoplasma gondii chimeric antigen AMA1-MIC3-ROP1
Open Research DataThe intracellular parasite Toxoplasma gondii has the ability to infect a wide range of warm-blooded animals, including humans. Currently, diagnosis of toxoplasmosis is based mainly on the use of the native antigens in enzyme immunoassay which allow for detection of IgG, IgM and IgA antibody classes. However, in some cases the performed studies give...
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Construction, production and evaluation of the diagnostic utility of a recombinant Toxoplasma gondii chimeric antigen SAG1-SAG2-GRA7
Open Research DataThe intracellular parasite Toxoplasma gondii has the ability to infect a wide range of warm-blooded animals, including humans. Currently, diagnosis of toxoplasmosis is based mainly on the use of the native antigens in enzyme immunoassay which allow for detection of IgG, IgM and IgA antibody classes. However, in some cases the performed studies give...
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Construction, production and evaluation of the diagnostic utility of a recombinant Toxoplasma gondii chimeric antigen SAG1-SAG2-P35
Open Research DataThe intracellular parasite Toxoplasma gondii has the ability to infect a wide range of warm-blooded animals, including humans. Currently, diagnosis of toxoplasmosis is based mainly on the use of the native antigens in enzyme immunoassay which allow for detection of IgG, IgM and IgA antibody classes. However, in some cases the performed studies give...
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Construction, production and evaluation of the diagnostic utility of a recombinant Toxoplasma gondii chimeric antigen SAG1-SAG2-GRA9
Open Research DataThe intracellular parasite Toxoplasma gondii has the ability to infect a wide range of warm-blooded animals, including humans. Currently, diagnosis of toxoplasmosis is based mainly on the use of the native antigens in enzyme immunoassay which allow for detection of IgG, IgM and IgA antibody classes. However, in some cases the performed studies give...
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Construction, production and evaluation of the diagnostic utility of a recombinant Toxoplasma gondii chimeric antigen SAG1-SAG2-GRA6
Open Research DataThe intracellular parasite Toxoplasma gondii has the ability to infect a wide range of warm-blooded animals, including humans. Currently, diagnosis of toxoplasmosis is based mainly on the use of the native antigens in enzyme immunoassay which allow for detection of IgG, IgM and IgA antibody classes. However, in some cases the performed studies give...
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Construction, production and evaluation of the diagnostic utility of a recombinant Toxoplasma gondii chimeric antigen SAG1-SAG2-MIC1L
Open Research DataThe intracellular parasite Toxoplasma gondii has the ability to infect a wide range of warm-blooded animals, including humans. Currently, diagnosis of toxoplasmosis is based mainly on the use of the native antigens in enzyme immunoassay which allow for detection of IgG, IgM and IgA antibody classes. However, in some cases the performed studies give...
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Construction, production and evaluation of the diagnostic utility of a recombinant Toxoplasma gondii chimeric antigen SAG1-SAG2-GRA1
Open Research DataThe intracellular parasite Toxoplasma gondii has the ability to infect a wide range of warm-blooded animals, including humans. Currently, diagnosis of toxoplasmosis is based mainly on the use of the native antigens in enzyme immunoassay which allow for detection of IgG, IgM and IgA antibody classes. However, in some cases the performed studies give...
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Construction, production and evaluation of the diagnostic utility of a recombinant Toxoplasma gondii chimeric antigen SAG1-SAG2-LDH2
Open Research DataThe intracellular parasite Toxoplasma gondii has the ability to infect a wide range of warm-blooded animals, including humans. Currently, diagnosis of toxoplasmosis is based mainly on the use of the native antigens in enzyme immunoassay which allow for detection of IgG, IgM and IgA antibody classes. However, in some cases the performed studies give...
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Construction, production and evaluation of the diagnostic utility of a recombinant Toxoplasma gondii chimeric antigen SAG1-SAG2-MIC3
Open Research DataThe intracellular parasite Toxoplasma gondii has the ability to infect a wide range of warm-blooded animals, including humans. Currently, diagnosis of toxoplasmosis is based mainly on the use of the native antigens in enzyme immunoassay which allow for detection of IgG, IgM and IgA antibody classes. However, in some cases the performed studies give...
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Construction, production and evaluation of the diagnostic utility of a recombinant Toxoplasma gondii chimeric antigen SAG1-SAG2-ROP1
Open Research DataThe intracellular parasite Toxoplasma gondii has the ability to infect a wide range of warm-blooded animals, including humans. Currently, diagnosis of toxoplasmosis is based mainly on the use of the native antigens in enzyme immunoassay which allow for detection of IgG, IgM and IgA antibody classes. However, in some cases the performed studies give...
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Construction, production and evaluation of the diagnostic utility of a recombinant Toxoplasma gondii chimeric antigen SAG1-SAG2-AMA1
Open Research DataThe intracellular parasite Toxoplasma gondii has the ability to infect a wide range of warm-blooded animals, including humans. Currently, diagnosis of toxoplasmosis is based mainly on the use of the native antigens in enzyme immunoassay which allow for detection of IgG, IgM and IgA antibody classes. However, in some cases the performed studies give...
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Construction, production and evaluation of the diagnostic utility of a recombinant Toxoplasma gondii chimeric antigen SAG1-SAG2-GRA5
Open Research DataThe intracellular parasite Toxoplasma gondii has the ability to infect a wide range of warm-blooded animals, including humans. Currently, diagnosis of toxoplasmosis is based mainly on the use of the native antigens in enzyme immunoassay which allow for detection of IgG, IgM and IgA antibody classes. However, in some cases the performed studies give...
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Construction, production and evaluation of the diagnostic utility of a recombinant Toxoplasma gondii chimeric antigen SAG1-SAG2-GRA2
Open Research DataThe intracellular parasite Toxoplasma gondii has the ability to infect a wide range of warm-blooded animals, including humans. Currently, diagnosis of toxoplasmosis is based mainly on the use of the native antigens in enzyme immunoassay which allow for detection of IgG, IgM and IgA antibody classes. However, in some cases the performed studies give...
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The XRD diffraction patterns of reduced LSCNT prepared using two methods and two sintering temperatures
Open Research DataThe dataset includes XRD diffraction patterns of La0.27Sr0.54Ce0.09Ni0.1Ti0.9O3-s produced using two methods, namely organic (citrate assisted) and Pechini sintered at 1000 or 1200oC under air atmosphere and reduced at 900 for 12 h in wet H2.
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BET adsorption-desorption isotherm of CeO2 pure
Open Research DataThe dataset includes the isotherms of adortion and desorption of N2 at LN2 temperature. The sorption isotherms were obtained using Quatachrome NovaTouch LX1 equippment. The ceramic measured powder was composed of nanometric pure CeO2 (CA-assisted method of synthesis)
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The XRD pattern of CeO2/10wt.%Ni prepared with BCD
Open Research DataThe dataset includes the XRD pattern of CeO2/10wt.%Ni. The samples of nanoCeO2 were impregnated with BCD-assisted precursor solution (betacyclodextrin). The dataset includes the 5-90 2theta degree measurement. Nonreduced. Sintered at 400oC for 4h in air.
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Mechanical lithography in a polymer substrate using AFM in contact mode
Open Research DataMechanical lithography in a polymer substrate. Contact mode. NTEGRA Prima (NT-MDT) device. NSG 01 probe.
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The XRD pattern of CeO2/10wt.%Mn prepared with BCD
Open Research DataThe dataset includes the XRD pattern of CeO2/10wt.%Mn. The samples of nanoCeO2 were impregnated with BCD-assisted precursor solution (betacyclodextrin). The dataset includes the 5-90 2theta degree measurement. Nonreduced. Sintered at 400oC for 4 h in air.