surface structure
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The surface and interlayer structure of rhodamine B (RhB)-montmorillonite for various guest concentrations has been studied using a combination of X-ray powder diffraction and molecular modeling (molecular mechanics and molecular dynamics) in the Cerius(2) modeling environment. The joint effect of surface and interlayer structure on the fluorescence spectrum has been observed and discussed in relation to the position and orientation of RhB(+) cations with respect to the silicate layer. Structural analysis showed that the surface and interlayer structures are different as to the arrangement of RhB(+) cations, and both of them strongly depend on the guest concentration in the intercalation solution and on the method of preparation. The repeated intercalation of montmorillonite by rhodamine B used in the present work allowed obtaining RhB-montmorillonite in the maximum degree of ion exchange for every sample.
The surface and the "bulk" structure of TiNi implants were characterized using scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray photoemission spectroscopy (XPS), and scanning Auger microprobe analysis (AES). TiNi implants were compared with otherwise identically prepared non-implanted specimens, and sputter-cleaned and reoxidized samples. Non-implanted and implanted samples had essentially the same surface topography and microstructure. Ti, O, and C were the dominant elements detected on the surface. Trace amounts (approximately 1 at%) of Ni and Ca, N, Si, B, and S were also detected. Ti was present as TiO2 on the surface, while nickel was present in metallic form. A significant difference in Ni peak intensity was observed when retrieved or non-implanted control samples (a very low nickel content) were compared with sputter-cleaned and reoxidized samples (well-detected nickel). It is evident that the method of passivation is crucial for nickel loosening. No major changes occurred in the TiNi samples bulk structure or in the surface oxide during the implantation periods investigated.
- MeSH
- biokompatibilní materiály chemie MeSH
- elektronová mikroskopie MeSH
- kobalt chemie MeSH
- kolagen metabolismus MeSH
- kyslík metabolismus MeSH
- lidé MeSH
- mikroskopie elektronová rastrovací MeSH
- nikl chemie MeSH
- osteotomie přístrojové vybavení MeSH
- povrchové vlastnosti MeSH
- testování materiálů MeSH
- titan chemie MeSH
- vazba proteinů MeSH
- Check Tag
- lidé MeSH
- Publikační typ
- časopisecké články MeSH
- Názvy látek
- biokompatibilní materiály MeSH
- kobalt MeSH
- kolagen MeSH
- kyslík MeSH
- nikl MeSH
- titan MeSH
- titanium-nickel-cobalt alloy MeSH Prohlížeč
Molecular modeling using empirical force field revealed the differences between the surface and interlayer arrangement of the dye guest molecules in vermiculite intercalated with the divalent methyl viologen cation (MV(2+)). Conformation and anchoring of MV(2+) cations on the silicate layer in the interlayer space of vermiculite host structure is different from that on the crystal surface. A preferential position has been found for the anchoring of guests on the silicate layer. Anyway the arrangement of guests in the interlayer space as well as on the crystal surface exhibits a high degree of disorder due to a certain flexibility in guest molecules arrangement and first of all due to the presence of water molecules in the interlayer space. The presence of water disturbs not only the regularity in guest positions and orientations but also in conformation of guest molecules in the interlayer space of the host structure.
Polydopamine (PDA), also known as synthetic melanin, is widely used as a biomimetic anchoring layer for the modification of various solid substrates. PDA is utilized for a wide range of biomedical, sensing and tribological applications, even though the polymer's precise covalent structure has not been completely revealed yet. Even more, it is not evident to which extent the chemical nature of the substrate, on which the layer is formed, influences and predetermines the covalent structure of resulting PDA. In this contribution, we have studied the growth of PDA using various surface-sensitive techniques such as spectroscopic ellipsometry, atomic force microscopy and X-ray photoelectron spectroscopy. We supplemented grazing angle attenuated total reflection FTIR spectroscopy with multivariate statistical analysis to further gain analytical power. We have particularly focused on the effects of polymerization time and substrate on the PDA structure. We found notable differences in the chemical composition of PDA formed on gold and on surfaces terminated with oxides/reactive hydroxides such as silicon and N-dopped-TiO2 in the early stages of the layer formation. At the later stages of layer formation, a merely unified chemical structure was observed independently on the type of substrate.
- Klíčová slova
- Melanin, Polydopamine, Self-polymerization, Surface analytics, Surface chemistry,
- MeSH
- indoly * MeSH
- polymerizace MeSH
- polymery * MeSH
- povrchové vlastnosti MeSH
- Publikační typ
- časopisecké články MeSH
- Názvy látek
- indoly * MeSH
- polydopamine MeSH Prohlížeč
- polymery * MeSH
The constant effort of all metal alloy manufacturing technologies and processes is to improve the resulting quality of the processed part. Not only the metallographic structure of the material is monitored, but also the final quality of the cast surface. In foundry technologies, in addition to the quality of the liquid metal, external influences, such as the behaviour of the mould or core material, significantly affect the cast surface quality. As the core is heated during casting, the resulting dilatations often lead to significant volume changes causing stress foundry defects such as veining, penetration and surface roughness. In the experiment, various amounts of silica sand were replaced with artificial sand and a significant reduction in dilation and pitting of up to 52.9% was observed. An important finding was the effect of the granulometric composition and grain size of the sand on the formation of surface defects from brake thermal stresses. The specific mixture composition can be considered as an effective prevention against the formation of defects instead of using a protective coating.
- Klíčová slova
- CERABEADS, artificial ceramic sands, foundry moulding mixture, silica sands, surface defects, surface roughness, surface structure, thermal expansion, veining,
- Publikační typ
- časopisecké články MeSH
Flexible structures are increasingly important in biomedical applications, where they can be used to achieve adaptable designs. This paper presents a study of the design and behavior of 3D-printed lightweight flexible structures. In this work, we focus on the design principles and numerical modelling of spatial patterns, as well as their mechanical properties and behavior under various loads. Contact surface fraction was determined as the ratio of the surface area of the printed pattern to the surface area of the entire curved surface. The objective of this work is to design a spatial pattern reducing contact surface fraction and develop a non-linear numerical model evaluating the structure's stiffness; in addition, we aimed to identify the best design pattern with respect to its stiffness:mass ratio. The experimental verification of the numerical model is performed on 3D-printed prototypes prepared using the Selective Laser Sintering (SLS) method and made of Nylon-Polyamide 12. The obtained results provide insights into designing and optimizing lightweight external biomedical applications such as prostheses, orthoses, helmets, or adaptive cushions.
- Klíčová slova
- PA12, SLS, biomedical, flexible, lightweight, spatial, stiffness, structure,
- Publikační typ
- časopisecké články MeSH
The carboxy-terminal amino acid sequence of the soluble form of the 53,000 mol. wt monocyte surface antigen, CD14, was determined by carboxypeptidase Y digestion and compared with the complete amino acid sequence of this protein as predicted from the structure of cloned cDNA [Goyert et al. Science 239, 497-500 (1988)]. The soluble antigen isolated from urine appears to lack eight C-terminal amino acid residues predicted for the full-size translation product, but possesses a major part of the C-terminal hydrophobic domain originally suggested as the membrane-spanning segment. The CD14 antigen can be removed from the monocyte surface by phosphatidylinositol-specific phospholipase C treatment, indicating that this glycoprotein is anchored in the membrane by a phospholipid and is not a transmembrane protein. The soluble form occurring in serum and in supernatants of cultured monocytes thus probably arises by phospholipase-mediated cleaving off the cell surface antigen. A sensitive sandwich ELISA was developed using a monoclonal anti-CD14 antibody, MEM-18, and polyclonal rabbit anti-CD14 antiserum for quantitation of the soluble antigen concns in sera and cell culture supernatants. Using this assay, the antigen present in the supernatant of phospholipase treated peripheral blood mononuclear cells could be estimated. The assay was also used for estimation of the concns of the soluble form of the CD14 antigen in human sera.
- MeSH
- antigeny povrchové * analýza MeSH
- elektroforéza v polyakrylamidovém gelu MeSH
- fosfolipasy typu C farmakologie MeSH
- lidé MeSH
- molekulární sekvence - údaje MeSH
- monocyty imunologie MeSH
- rozpustnost MeSH
- sekvence aminokyselin MeSH
- Check Tag
- lidé MeSH
- Publikační typ
- časopisecké články MeSH
- Názvy látek
- antigeny povrchové * MeSH
- fosfolipasy typu C MeSH
We report on a highly sensitive measurement of the relative humidity (RH) of moist air using both the surface plasmon resonance (SPR) and Bloch surface wave resonance (BSWR). Both resonances are resolved in the Kretschmann configuration when the wavelength interrogation method is utilized. The SPR is revealed for a multilayer plasmonic structure of SF10/Cr/Au, while the BSWR is resolved for a multilayer dielectric structure (MDS) comprising four bilayers of TiO2/SiO2 with a rough termination layer of TiO2. The SPR effect is manifested by a dip in the reflectance of a p-polarized wave, and a shift of the dip with the change in the RH, or equivalently with the change in the refractive index of moist air is revealed, giving a sensitivity in a range of 0.042-0.072 nm/%RH. The BSWR effect is manifested by a dip in the reflectance of the spectral interference of s- and p-polarized waves, which represents an effective approach in resolving the resonance with maximum depth. For the MDS under study, the BSWRs were resolved within two band gaps, and for moist air we obtained sensitivities of 0.021-0.038 nm/%RH and 0.046-0.065 nm/%RH, respectively. We also revealed that the SPR based RH measurement is with the figure of merit (FOM) up to 4.7 × 10-4 %RH-1, while BSWR based measurements have FOMs as high as 3.0 × 10-3 %RH-1 and 1.1 × 10-3 %RH-1, respectively. The obtained spectral interferometry based results demonstrate that the BSWR based sensor employing the available MDS has a similar sensitivity as the SPR based sensor, but outperforms it in the FOM. BSW based sensors employing dielectrics thus represent an effective alternative with a number of advantages, including better mechanical and chemical stability than metal films used in SPR sensing.
Hirshfeld surfaces and two-dimensional fingerprint plots are used to analyse the intermolecular interactions in two new phosphorothioic triamide structures, namely N,N',N''-tris(3,4-dimethylphenyl)phosphorothioic triamide acetonitrile hemisolvate, P(S)[NHC6H3-3,4-(CH3)2]3·0.5CH3CN or C24H30N3PS·0.5CH3CN, (I), and N,N',N''-tris(4-methylphenyl)phosphorothioic triamide-3-methylpiperidinium chloride (1/1), P(S)[NHC6H4(4-CH3)]3·[3-CH3-C5H9NH2](+)·Cl(-) or C21H24N3PS·C6H14N(+)·Cl(-), (II). The asymmetric unit of (I) consists of two independent phosphorothioic triamide molecules and one acetonitrile solvent molecule, whereas for (II), the asymmetric unit is composed of three components (molecule, cation and anion). In the structure of (I), the different components are organized into a six-molecule aggregate through N-H···S and N-H···N hydrogen bonds. The components of (II) are aggregated into a two-dimensional array through N-H···S and N-H···Cl hydrogen bonds. Moreover, interesting features of packing arise in this structure due to the presence of a double hydrogen-bond acceptor (the S atom of the phosphorothioic triamide molecule) and of a double hydrogen-bond donor (the N-H unit of the cation). For both (I) and (II), the full fingerprint plot of each component is asymmetric as a consequence of the presence of three fragments. These analyses reveal that H···H interactions [67.7 and 64.3% for the two symmetry-independent phosphorothioic triamide molecules of (I), 30.7% for the acetonitrile solvent of (I), 63.8% in the phosphorothioic triamide molecule of (II) and 62.9% in the 3-methylpiperidinium cation of (II)] outnumber the other contacts for all the components in both structures, except for the chloride anion of (II), which only receives the Cl···H contact. The phosphorothioic triamide molecules of both structures include unsaturated C atoms, thus presenting C···H/H···C interactions: 17.6 and 21% for the two symmetry-independent phosphorothioic triamide molecules in (I), and 22.7% for the phosphorothioic triamide molecule of (II). Furthermore, the N-H···S hydrogen bonds in both (I) and (II), and the N-H...Cl hydrogen bonds in (II), are the most prominent interactions, appearing as large red spots on the Hirshfeld surface maps. The N···H/H···N contacts in structure (I) are considerable, whereas for (II), they give a negligible contribution to the total interactions in the system.
- Klíčová slova
- Hirshfeld surface analysis, crystal structure, hydrogen-bonding pattern, phosphorothioic triamide, two-dimensional fingerprint plot,
- Publikační typ
- časopisecké články MeSH
The complete covalent structure of a novel boar DQH sperm surface protein resistant to many classical procedures of enzymatic fragmentation was determined. The relative molecular mass of the major form of this protein determined by ESI-MS and MALDI-MS was 13,065.2+/-1.0 and 13,065.1, respectively. However, additional peaks differing by 162 Da (i.e., minus hexose), 365 Da (i.e., minus hexose and N-acetylhexosamine), 146 Da (i.e., plus deoxyhexose), and 291 Da (i.e., plus sialic acid) indicated the heterogeneity due to differences in glycosylation. The complete covalent structure of the protein was determined using automated Edman degradation, MALDI-MS, and post-source decay (PSD) MALDI-MS, and shown to consist of N-terminal O-glycosylated peptide followed by two fibronectin type II repeats. The carbohydrates are O-glycosidically linked to threonine 10, as confirmed by PSD MALDI-MS of the isolated N-terminal glycopeptide. Eight cysteine residues of the protein form four disulfide bridges, the positions of which were assigned from MALDI-MS and Edman degradation data. We conclude that mass spectral techniques provide an indispensable tool for the detailed analysis of the covalent structure of proteins, especially those that are refractory to standard approaches of protein chemistry.
- MeSH
- glykoproteiny chemie MeSH
- glykosylace MeSH
- konformace proteinů MeSH
- membránové glykoproteiny chemie MeSH
- molekulární sekvence - údaje MeSH
- molekulová hmotnost MeSH
- prasata MeSH
- sekvence aminokyselin MeSH
- spektrometrie hmotnostní - ionizace laserem za účasti matrice MeSH
- transportní proteiny chemie MeSH
- zvířata MeSH
- Check Tag
- mužské pohlaví MeSH
- zvířata MeSH
- Publikační typ
- časopisecké články MeSH
- práce podpořená grantem MeSH
- Názvy látek
- DQH sperm surface protein, Sus scrofa MeSH Prohlížeč
- glykoproteiny MeSH
- membránové glykoproteiny MeSH
- pAIF-1 protein, Sus scrofa MeSH Prohlížeč
- transportní proteiny MeSH
