Models for biomedical interfaces: a computational study of quinone-functionalized amorphous silica surface features

The structural and IR features of amorphous silica surfaces, functionalized by ortho-benzoquinone groups, were computed to obtain a deeper knowledge of multifunctional coatings with antimicrobial properties.

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Persistent Free Radicals from Low-Molecular-Weight Organic Compounds Enhance Cross-Coupling Reactions and Toxicity of Anthracene on Amorphous Silica Surfaces under Light

Environmental Science & Technology ◽

10.1021/acs.est.0c07472 ◽

2021 ◽

Vol 55 (6) ◽

pp. 3716-3726

Author(s):

Zhaoyue Sun ◽

Xinghao Wang ◽

Cun Liu ◽

Guodong Fang ◽

Longgang Chu ◽

...

Keyword(s):

Molecular Weight ◽

Free Radicals ◽

Organic Compounds ◽

Amorphous Silica ◽

Cross Coupling ◽

Low Molecular Weight ◽

Coupling Reactions ◽

Silica Surfaces ◽

Cross Coupling Reactions

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Reactivity of Single Transition Metal Atoms on a Hydroxylated Amorphous Silica Surface: A Periodic Conceptual DFT Investigation.

Chemistry - A European Journal ◽

10.1002/chem.202004660 ◽

2020 ◽

Author(s):

Xavier Deraet ◽

Jan Turek ◽

Mercedes Alonso ◽

Frederik Tielens ◽

Stefaan Cottenier ◽

...

Keyword(s):

Transition Metal ◽

Amorphous Silica ◽

Silica Surface ◽

Conceptual Dft ◽

Metal Atoms ◽

Transition Metal Atoms ◽

Single Transition

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Complex Formation and Dissociation Dynamics on Amorphous Silica Surfaces

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.1c01225 ◽

2021 ◽

Author(s):

Steven A. Yamada ◽

Samantha T. Hung ◽

Jae Yoon Shin ◽

Michael D. Fayer

Keyword(s):

Complex Formation ◽

Amorphous Silica ◽

Silica Surfaces ◽

Dissociation Dynamics

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A computational study of Si–H bonds as precursors for neutral E′ centres in amorphous silica and at the Si/SiO2 interface

Microelectronic Engineering ◽

10.1016/j.mee.2013.03.028 ◽

2013 ◽

Vol 109 ◽

pp. 310-313 ◽

Cited By ~ 15

Author(s):

Sanliang Ling ◽

Al-Moatasem El-Sayed ◽

Francisco Lopez-Gejo ◽

Matthew B. Watkins ◽

V.V. Afanas’ev ◽

...

Keyword(s):

Amorphous Silica ◽

Computational Study

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Determination of the Orientation of Silanes on Silica Surfaces by Fourier Transform Infrared Photoacoustic Spectroscopy

Applied Spectroscopy ◽

10.1366/0003702864508791 ◽

1986 ◽

Vol 40 (4) ◽

pp. 513-519 ◽

Cited By ~ 25

Author(s):

Marek W. Urban ◽

Jack L. Koenig

Keyword(s):

Fourier Transform ◽

Photoacoustic Spectroscopy ◽

Surface Coverage ◽

Silica Surface ◽

Fourier Transform Infrared ◽

Coupling Agents ◽

Surface Hydroxyl ◽

Silica Surfaces ◽

Quantitative Surface Analysis ◽

Infrared Photoacoustic Spectroscopy

Fourier transform infrared photoacoustic spectroscopy has been used for quantitative surface analysis of silica treated with trifunctional coupling agents such as γ-Methacryloxypropyltriethoxysilane (γ-MPS), γ-Glycidoxypropyltrimethoxysilane (γ-GPS), and γ-Aminopropyltri-ethoxysilane (γ-APS). The calibration curves are obtained for several characteristic bands of the coupling agents. Using a highly polarizable gas in the photoacoustic cell and comparing the spectra with a nonpolarizable coupling gas, it is possible to evaluate orientation of the coupling agents on the silica surface. The type of orientation is a function of the extent of surface coverage. At low surface coverage, coupling agents tend to take a perpendicular orientation with respect to the surface, and increasing surface coverage leads to parallel orientation. Increasing the coupling agent concentration also causes orientational changes of the species which form chemical bonds with the silica surface (hydroxyl, water, and carbonyl groups).

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