Modeling of a hybrid Langmuir adsorption isotherm for describing interactions between drug molecules and silica surfaces

Thomas Sandberg; Christian Weinberger; Didem Sen Karaman; Jessica Rosenholm

doi:10.1016/j.xphs.2017.12.025

Modeling of a hybrid Langmuir adsorption isotherm for describing interactions between drug molecules and silica surfaces

Thomas Sandberg, Christian Weinberger, Didem Sen Karaman, Jessica Rosenholm

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Abstract

The interaction between disulfiram (Antabus®) and silica was studied experimentally by adsorption from apolar solvent onto highly porous silica material (Santa Barbara Amorphous material-3, SBA-3) with large surface area. The adsorption isotherm was fitted to the Langmuir model by accounting two different affinities contributing to the overall behavior, which were attributed to two different types of silanol groups (i.e. geminal and vicinal) present on amorphous silica surfaces. This assumption was supported by theoretical calculations. Additionally, the model could describe the adsorption of ibuprofen to the carrier material, indicating that the model bears big potential for describing the interactions between silica surfaces and drug molecules.

Original language	Undefined/Unknown
Pages (from-to)	1392–1397
Journal	Journal of Pharmaceutical Sciences
Volume	107
Issue number	5
DOIs	https://doi.org/10.1016/j.xphs.2017.12.025
Publication status	Published - 2018
MoE publication type	A1 Journal article-refereed

Keywords

Ab initio calculations
Adsorption
Silica

Access to Document

10.1016/j.xphs.2017.12.025

Manuscript_clean (1)Accepted author manuscript, 585 KBLicence: CC BY-NC-ND

Cite this

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title = "Modeling of a hybrid Langmuir adsorption isotherm for describing interactions between drug molecules and silica surfaces",

abstract = "The interaction between disulfiram (Antabus{\textregistered}) and silica was studied experimentally by adsorption from apolar solvent onto highly porous silica material (Santa Barbara Amorphous material-3, SBA-3) with large surface area. The adsorption isotherm was fitted to the Langmuir model by accounting two different affinities contributing to the overall behavior, which were attributed to two different types of silanol groups (i.e. geminal and vicinal) present on amorphous silica surfaces. This assumption was supported by theoretical calculations. Additionally, the model could describe the adsorption of ibuprofen to the carrier material, indicating that the model bears big potential for describing the interactions between silica surfaces and drug molecules.",

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T1 - Modeling of a hybrid Langmuir adsorption isotherm for describing interactions between drug molecules and silica surfaces

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AU - Weinberger, Christian

AU - Sen Karaman, Didem

AU - Rosenholm, Jessica

N1 - fyke

PY - 2018

Y1 - 2018

N2 - The interaction between disulfiram (Antabus®) and silica was studied experimentally by adsorption from apolar solvent onto highly porous silica material (Santa Barbara Amorphous material-3, SBA-3) with large surface area. The adsorption isotherm was fitted to the Langmuir model by accounting two different affinities contributing to the overall behavior, which were attributed to two different types of silanol groups (i.e. geminal and vicinal) present on amorphous silica surfaces. This assumption was supported by theoretical calculations. Additionally, the model could describe the adsorption of ibuprofen to the carrier material, indicating that the model bears big potential for describing the interactions between silica surfaces and drug molecules.

AB - The interaction between disulfiram (Antabus®) and silica was studied experimentally by adsorption from apolar solvent onto highly porous silica material (Santa Barbara Amorphous material-3, SBA-3) with large surface area. The adsorption isotherm was fitted to the Langmuir model by accounting two different affinities contributing to the overall behavior, which were attributed to two different types of silanol groups (i.e. geminal and vicinal) present on amorphous silica surfaces. This assumption was supported by theoretical calculations. Additionally, the model could describe the adsorption of ibuprofen to the carrier material, indicating that the model bears big potential for describing the interactions between silica surfaces and drug molecules.

KW - Ab initio calculations

KW - Adsorption

KW - Silica

KW - Ab initio calculations

KW - Adsorption

KW - Silica

KW - Ab initio calculations

KW - Adsorption

KW - Silica

U2 - 10.1016/j.xphs.2017.12.025

DO - 10.1016/j.xphs.2017.12.025

M3 - Artikel

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EP - 1397

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