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Hozumi, Atsushi; Inagaki, Hironobu; Uoe, Kohsuke; Sugimura, Hiroyuki; Takai, Osamu; Yokogawa, Yoshiyuki; Kameyama, Tetsuya

doi:10.4139/sfj.52.893

Cited by 5 publications

(3 citation statements)

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“…Namely, for Ti (isoelectric point, IEP, between 5.0 and 6.0 − ), we introduce both deprotonated TiOH – and protonated Ti 2 OH + sites in the ratio of 16:5, which leads to a surface charge density of −0.123 C/m 2 , consistent with typical experimental values at neutral pH . For Si (IEP of 3.0 or lower , ), we introduce exclusively negative SiO – sites by deprotonation of terminal hydroxyl groups in order to achieve a surface charge density of −0.136 C/m 2 …”

Section: Models and Simulation Detailssupporting

confidence: 52%

Specific Material Recognition by Small Peptides Mediated by the Interfacial Solvent Structure

2012

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We present evidence that specific material recognition by small peptides is governed by local solvent density variations at solid/liquid interfaces, sensed by the side-chain residues with atomic-scale precision. In particular, we unveil the origin of the selectivity of the binding motif RKLPDA for Ti over Si using a combination of metadynamics and steered molecular dynamics simulations, obtaining adsorption free energies and adhesion forces in quantitative agreement with corresponding experiments. For an accurate description, we employ realistic models of the natively oxidized surfaces which go beyond the commonly used perfect crystal surfaces. These results have profound implications for nanotechnology and materials science applications, offering a previously missing structure-function relationship for the rational design of materials-selective peptide sequences.

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Section: Models and Simulation Detailssupporting

confidence: 52%

Specific Material Recognition by Small Peptides Mediated by the Interfacial Solvent Structure

2012

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“…The hematite concentration is fixed at 1 mg/L, and their diameter scales between 122 and 1280 nm (see Figure b). To simulate numerically the experimental runs, additional parameters are required (see Figure a): the ζ potential of propylene has been taken from Hozumi et al, and the ζ potential of hematite from Matijevic and Scheiner . The Hamaker constant for hematite-polypropylene interactions over water is equal to 5.0 × 10 −20 J.…”

Section: First Application Of the Coupled Model On The Deposition Ratementioning

confidence: 99%

Numerical Study on the Deposition Rate of Hematite Particle on Polypropylene Walls: Role of Surface Roughness

Henry

Minier²,

Lefèvre

et al. 2011

Langmuir

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In this paper, we investigate the deposition of nanosized and microsized particles on rough surfaces under electrostatic repulsive conditions in an aqueous suspension. This issue arises in the general context of modeling particle deposition which, in the present work, is addressed as a two-step process: first particles are transported by the motions of the flow toward surfaces and, second, in the immediate vicinity of the walls, the forces between the incoming particles and the walls are determined using the classical DLVO theory. The interest of this approach is to take into account both hydrodynamical and physicochemical effects within a single model. Satisfactory results have been obtained in attractive conditions but some discrepancies have been revealed in the case of repulsive conditions, in line with other studies which have noted differences between predictions based on the DLVO theory and experimental measurements for similar repulsive conditions. Consequently, the aim of the present work is to focus on this particular range and, more specifically, to assess the influence of surface roughness on the DLVO potential energy. For this purpose, we introduce a new simplified model of surface roughness where spherical protruding asperities are placed randomly on a smooth plate. On the basis of this geometrical description, approximate DLVO expressions are used and numerical calculations are performed. We first highlight the existence of a critical asperity size which brings about the highest reduction of the DLVO interaction energy. Then, the influence of the surface covered by the asperities is investigated as well as retardation effects which can play a role in the reduction of the interaction energy. Finally, by considering the random distribution of the energy barrier of the DLVO potential due to the random geometrical configurations, the overall effect of surface roughness is demonstrated with one application of the complete deposition model in an industrial test case. These new numerical results show that nonzero deposition rates are now obtained even in repulsive conditions, which confirms that surface roughness is a relevant aspect to introduce in general approaches to deposition.

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“…Over the range from pH 3 to 11, the SiO 2 /Si surface showed negative ζ-potentials from ca. −22 to −82 mV due to the partial ionization of surface silanol (Si−OH) groups . The isoelectric point (IEP) of this surface was estimated to be at pH 2.0.…”

Section: Resultsmentioning

confidence: 99%

Etchingless Microfabrication of a Thick Metal Oxide Film on a Flexible Polymer Substrate

Shirahata

Hozumi

2004

Chem. Mater.

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Well-defined microstructures of metal oxide, i.e., tin oxide (SnO x ), were formed on a flexible polymer substrate from an aqueous solution of tin chloride without the use of any chemical or physical etching. First, through the chemical vapor deposition of tetraethoxysilane and subsequent photooxidation using 172 nm vacuum-ultraviolet (vacuum-UV) light, an extremely thin SiO 2 layer about 1 nm thick, which we call an "oxide nanoskin" (ONS), was formed on a polyimide (PI) substrate. Next, (heptadecafluoro-1,1,2,2-tetrahydrodecyl)trimethoxysilane (FAS) molecules were chemisorbed onto this ONS-covered PI (ONS/PI) surface from the vapor phase. As a control, a hydrophilized PI substrate was also treated under the same conditions. Both substrates were then photolithographically micropatterned using the same vacuum-UV light. Finally, the fabricated micropatterns composed of hydrophobic FAS-and hydrophilic SiOH-covered regions served respectively as chemically inert and active sites to provide a template for the area-selective deposition of SnO x film. Although the SnO x film was initially deposited on the entire substrate, the physisorbed film on the FAS-covered regions was easily eliminated from the surface by sonication in absolute toluene, while that on the SiOH-covered regions remained tightly adhered to the substrate surface. As confirmed by atomic force microscopy, square-shaped SnO x micropatterns composed of 25 × 25 µm 2 features were formed on the micropatterned FAS/ONS/PI substrates. However, on the substrate without the ONS layer, pattern resolution became significantly worse and elimination of the physisorbed SnO x on the FAS-covered regions was incomplete. The ONS interlayer was effective both in forming a highly ordered FAS monolayer on the PI substrate and in obtaining excellent adhesion of the SnO x film to the PI substrate. Furthermore, our process enabled us to control the thickness of the SnO x microstructures within the range of a few hundreds nanometers to over 1 µm without distortion of their fine patterns. The SnO x microstructures we obtained on the PI substrates were free of cracks or peeling even after thermal treatment and showed excellent mechanical properties.

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Cited by 5 publications

References 0 publications

Specific Material Recognition by Small Peptides Mediated by the Interfacial Solvent Structure

Specific Material Recognition by Small Peptides Mediated by the Interfacial Solvent Structure

Numerical Study on the Deposition Rate of Hematite Particle on Polypropylene Walls: Role of Surface Roughness

Etchingless Microfabrication of a Thick Metal Oxide Film on a Flexible Polymer Substrate

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