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On the Mechanism of Bioinspired Formation of Inorganic Oxides: Structural Evidence of the Electrostatic Nature of the Interaction between a Mononuclear Inorganic Precursor and Lysozyme.

ABSTRACT: Nature has evolved several molecular machineries to promote the formation at physiological conditions of inorganic materials, which would otherwise be formed in extreme conditions. The molecular determinants of this process have been established over the last decade, identifying a strong role of electrostatics in the first steps of the precipitation. However, no conclusive, structure-based evidence has been provided so far. In this manuscript, we test the binding of lysozyme with silica and titania potential precursors. In contrast with the absence of structural information about the interaction with the silica precursor, we observe the interaction with a mononuclear titanium(IV) species, which is found to occur in a region rich of positive charges.

SUBMITTER: Gigli L

PROVIDER: S-EPMC7823628 | biostudies-literature | 2020 Dec

REPOSITORIES: biostudies-literature

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On the Mechanism of Bioinspired Formation of Inorganic Oxides: Structural Evidence of the Electrostatic Nature of the Interaction between a Mononuclear Inorganic Precursor and Lysozyme.

Gigli Lucia L Ravera Enrico E Calderone Vito V Luchinat Claudio C

Biomolecules 20201230 1

Nature has evolved several molecular machineries to promote the formation at physiological conditions of inorganic materials, which would otherwise be formed in extreme conditions. The molecular determinants of this process have been established over the last decade, identifying a strong role of electrostatics in the first steps of the precipitation. However, no conclusive, structure-based evidence has been provided so far. In this manuscript, we test the binding of lysozyme with silica and tita ...[more]

PMID: 33396930

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Project description:An asymmetric pair of coupled nonlinear Schrödinger (CNLS) equations has been derived through a multiscale perturbation method applied to a plasma fluid model, in which two wavepackets of distinct (carrier) wavenumbers ([Formula: see text] and [Formula: see text]) and amplitudes ([Formula: see text] and [Formula: see text]) are allowed to co-propagate and interact. The original fluid model was set up for a non-magnetized plasma consisting of cold inertial ions evolving against a [Formula: see text]-distributed electron background in one dimension. The reduction procedure resulting in the CNLS equations has provided analytical expressions for the dispersion, self-modulation and cross-coupling coefficients in terms of the two carrier wavenumbers. These coefficients present no symmetry whatsoever, in the general case (of different wavenumbers). The possibility for coupled envelope (vector soliton) solutions to occur has been investigated. Although the CNLS equations are asymmetric and non-integrable, in principle, the system admits various types of vector soliton solutions, physically representing nonlinear, localized electrostatic plasma modes, whose areas of existence is calculated on the wavenumbers' parameter plane. The possibility for either bright (B) or dark (D) type excitations for either of the (2) waves provides four (4) combinations for the envelope pair (BB, BD, DB, DD), if a set of explicit criteria is satisfied. Moreover, the soliton parameters (maximum amplitude, width) are also calculated for each type of vector soliton solution, in its respective area of existence. The dependence of the vector soliton characteristics on the (two) carrier wavenumbers and on the spectral index [Formula: see text] characterizing the electron distribution has been explored. In certain cases, the (envelope) amplitude of one component may exceed its counterpart (second amplitude) by a factor 2.5 or higher, indicating that extremely asymmetric waves may be formed due to modulational interactions among copropagating wavepackets. As [Formula: see text] decreases from large values, modulational instability occurs in larger areas of the parameter plane(s) and with higher growth rates. The distribution of different types of vector solitons on the parameter plane(s) also varies significantly with decreasing [Formula: see text], and in fact dramatically for [Formula: see text] between 3 and 2. Deviation from the Maxwell-Boltzmann picture therefore seems to favor modulational instability as a precursor to the formation of bright (predominantly) type envelope excitations and freak waves.

Dataset Information

On the Mechanism of Bioinspired Formation of Inorganic Oxides: Structural Evidence of the Electrostatic Nature of the Interaction between a Mononuclear Inorganic Precursor and Lysozyme.

Publications

On the Mechanism of Bioinspired Formation of Inorganic Oxides: Structural Evidence of the Electrostatic Nature of the Interaction between a Mononuclear Inorganic Precursor and Lysozyme.

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