[HTML][HTML] Surface modification of two-dimensional layered double hydroxide nanoparticles with biopolymers for biomedical applications

M Pavlovic, A Szerlauth, S Muráth, G Varga… - Advanced drug delivery …, 2022 - Elsevier
Layered double hydroxides (LDHs) are appealing nanomaterials for (bio) medical
applications and their potential is threefold. One can gain advantage of the structure of LDH …

Advances in clayff molecular simulation of layered and nanoporous materials and their aqueous interfaces

RT Cygan, JA Greathouse… - The Journal of Physical …, 2021 - ACS Publications
As a general-purpose force field for molecular simulations of layered materials and their fluid
interfaces, Clayff continues to see broad usage in atomistic computational modeling for …

Role of mineral surfaces in prebiotic chemical evolution. In silico quantum mechanical studies

A Rimola, M Sodupe, P Ugliengo - Life, 2019 - mdpi.com
There is a consensus that the interaction of organic molecules with the surfaces of naturally-
occurring minerals might have played a crucial role in chemical evolution and …

Methane and carbon dioxide adsorption on Illite

J Zhang, MB Clennell, K Liu, M Pervukhina… - Energy & …, 2016 - ACS Publications
The adsorption of CH4 and CO2 onto illitic clay was investigated at the temperatures 298,
313, 328, 358, and 423 K (25, 40, 55, 85, and 150° C) over a range of pressures up to 50 …

Polyelectrolyte-modified layered double hydroxide nanocontainers as vehicles for combined inhibitors

J Carneiro, AF Caetano, A Kuznetsova, F Maia… - RSC Advances, 2015 - pubs.rsc.org
In this work, nanocontainers based on layered double hydroxide (LDH) loaded with two
different corrosion inhibitors, namely 2-mercaptobenzothiazole (MBT) and cerium (III) nitrate …

Wetting effects and molecular adsorption at hydrated kaolinite clay mineral surfaces

T Underwood, V Erastova… - The Journal of Physical …, 2016 - ACS Publications
In this study, classical molecular dynamics simulations have been used to understand the
key interactions and surface structure of a set of organic molecules at the hydrated surfaces …

Adsorption of nucleotides onto ferromagnesian phyllosilicates: Significance for the origin of life

U Pedreira-Segade, C Feuillie, M Pelletier… - … et Cosmochimica Acta, 2016 - Elsevier
The concentration of prebiotic organic building blocks may have promoted the formation of
biopolymers in the environment of the early Earth. We therefore studied the adsorption of …

How do nucleotides adsorb onto clays?

U Pedreira-Segade, J Hao, A Razafitianamaharavo… - Life, 2018 - mdpi.com
Adsorption of prebiotic building blocks is proposed to have played a role in the emergence
of life on Earth. The experimental and theoretical study of this phenomenon should be …

Interaction of natural organic matter with layered minerals: recent developments in computational methods at the nanoscale

JA Greathouse, KL Johnson, HC Greenwell - Minerals, 2014 - mdpi.com
The role of mineral surfaces in the adsorption, transport, formation, and degradation of
natural organic matter (NOM) in the biosphere remains an active research area owing to the …

Adsorption of pharmaceuticals onto smectite clay minerals: A combined experimental and theoretical study

G Corbin, E Vulliet, B Lanson, A Rimola, P Mignon - Minerals, 2021 - mdpi.com
The adsorption of two pharmaceuticals, carbamazepine and paracetamol, onto the
expandable clay mineral saponite has been studied through the combination of kinetic …