Materials Literature
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In this paper, a multiscale approach to capture the behavior of material layers that possess a micromorphic mesostructure is presented. To this end, we seek to obtain a macroscopic traction-separation law based on the underlying meso and microstructure. At the macro level, a cohesive interface description is used, whe…
Abstract Recent progress in the metallisation of poly‐silicon thin‐film solar cells on glass, created by solid phase crystallisation (SPC) of evaporated amorphous silicon (EVA), revealed that shunting through sub‐micron holes (density 100–200 mm−2) in the films causes severe shunting problems when the air‐side metal c…
Using finite-difference time-domain method, we investigate photonic crystal slabs consisting of spherical voids or silica beads embedded into a dielectric slab as bio-chemical sensors. We study the dependence of the spectral position of guided-mode resonances on the refractive index of a slab material. The most sensit…
Molecular basket 1, composed of a semirigid tris-norbornadiene framework and three revolving pyridine-based gates at the rim, has been built to "dynamically" enclose space and as such regulate molecular encapsulation. The gates were shown to fold via intramolecular hydrogen bonding and thereby form a C3nu symmetrical…
This paper reports on the application of Soft Condensed Matter to the Conservation of Cultural Heritage and is manly based on the conversation that one of the authors (Piero Baglioni) had with Pierre Gilles de Gennes during his last visit to Florence.
We report on the self-organized patterning of polycrystalline metal films supported on dielectric substrates using defocused ${\text{Ar}}^{+}$ ion-beam sputtering at glancing incidence. The data demonstrate that a nonflat initial surface morphology does plays a critical role in triggering self-organization during the…
PURPOSE: To assess the visibility of small myocardial lesions at magnetic resonance (MR) imaging and to estimate how much myocardial damage is necessary to enable detection of late gadolinium enhancement (LGE) in vivo. MATERIALS AND METHODS: The study was approved by the local bioethics committee. Coronary microemboli…
Abstract The radical alternating copolymerization of N‐methylmaleimide with various olefins was carried out to obtain thermally stable and transparent polymers. Cyclic olefins including an exo‐methylene group showed high polymerization reactivities during the copolymerization. The introduction of a polar substituent i…
Silver(I) complexes of five bis-bidentate Schiff-base ligands, derived from 3,6-diformylpyridazine and substituted anilines (2,4-dimethylaniline L ( o,p - Me ); 3,5-dichloroaniline L ( m,m - Cl ); 2-aminobiphenyl L ( o - Ph ); p-toluidine L ( p - Me ); 4-aminophenol L ( p - OH ); p-anisidine L ( p - OMe )), have been…
Effects of pressure and temperature on the helix-coil transition of an alanine-based peptide (Ac- AA(AAKAA)(3)AAY-NH(2)) have been investigated using CD and FTIR spectroscopy. From the correlation between CD and FTIR data, we showed that the change in infrared intensity of the amide I' band at 1633 cm(-1) is almost id…
Systematic changes in composition were employed to increase the notch toughness of a variety of Fe-based Bulk Metallic Glasses (BMGs). The Fe50Mn10Mo14Cr4C16B6 BMG possessed very high hardness (e.g. 12 GPa) but very low notch toughness (e.g. 5.7 MPa m1/2) at room temperature, consistent with fracture surface observati…
We have demonstrated the features of curve-structured phenalenyl chemistry, for the first time. A phenalenyl-fused corannulene anion has been designed by the annelation of a six-memberd ring across peri-positions of corannulene and generated as a stable species in a degassed solution. The 1H and 13C NMR spectra have s…
The class Ic ribonucleotide reductase from Chlamydia trachomatis ( Ct) uses a stable Mn(IV)/Fe(III) cofactor to initiate nucleotide reduction by a free-radical mechanism. Extended X-ray absorption fine structure (EXAFS) spectroscopy and density functional theory (DFT) calculations are used to postulate a structure for…
Procedures for synthesizing digital polycrystalline microstructures are illustrated, from either 2D statistical data or 3D deterministic data. Finite element meshes representing the digital microstructures are generated using anisotropic and adaptive mesh refinement close to the grain boundaries. Digital mechanical te…
DFT calculations were performed to explain the preference for the conversion of trans-2-butene to its less stable cis isomer on Pt(111) surfaces reported previously. The results indicate that the main factors controlling the direction of this reaction are the lesser degrees of molecular rearrangement and surface recon…
The alpha shape of a molecule is a geometrical representation that provides a unique surface decomposition and a means to filter atomic contacts. We used it to revisit and unify the definition and computation of surface residues, contiguous patches, and curvature. These descriptors are evaluated and compared with form…
Among the existing repair strategies for cartilage injury, tissue engineering approach using biomaterials and chondrocytes offers hope for treatments. In this context, collagen-based biomaterials are good candidates as scaffolds for chondrocytes in cell transplantation procedures. These scaffolds are provided under di…
Abstract We demonstrate through structural, spectroscopic, and magnetic studies that the main factors governing the nuclearity of M–Gd (M = Cu, Ni) complexes derived from compartmental Schiff base ligands are the different affinities of the lanthanide ions for the potential ligands and anions present in the reaction m…
Microwave-assisted pyrolysis was used to fabricate porous carbon nanostructures from biomass precursors filled with a conducting polymer and Fe catalyst species. The morphology and porosity of the biomass precursors, which were wood, cotton, and filter paper, were retained, but their infrastructure became highly graph…
Regioregular poly(3-hexylthiophene) has been successfully incorporated into a novel amphiphilic block copolymer. The amphiphilic nature of poly(3-hexylthiophene)-block-poly(acrylic acid) has been investigated using spectroscopic methods and has yielded solvatochromic behavior in several solvents of varying polarity. E…