TY  - JOUR
A1  - Poghosyan, Armen H.
A1  - Shahinyan, A. A.
A1  - Koetz, Joachim
T1  - Self-assembled monolayer formation of distorted cylindrical AOT micelles on gold surfaces
JF  - Colloids and surfaces : an international journal devoted to the principles and applications of colloid and interface science ; A, Physicochemical and engineering aspects
N2  - Self-assembling features of sodium dioctyl sulfosuccinate (AOT) molecules and micelle adsorption on gold Au (111) surfaces have been examined using molecular dynamics simulation. We argue that AOT micelles display a strong adsorption on gold surfaces resulting in distorted cylindrical micelles attached to the (111) facets. The well protected Au(111) facets decorated by a dense packed elongated ellipsoidal AOT layer hinder the diffusion of the reactant to the (111) facets and could result in the preferential growth of ultra-thin gold nanoplatelets.
KW  - Surfactant micelles
KW  - Adsorption
KW  - Gold surface
KW  - Molecular dynamics
Y1  - 2018
U6  - https://doi.org/10.1016/j.colsurfa.2018.02.067
SN  - 0927-7757
SN  - 1873-4359
VL  - 546
SP  - 20
EP  - 27
PB  - Elsevier
CY  - Amsterdam
ER  - 
TY  - JOUR
A1  - Poghosyan, Armen H.
A1  - Shahinyan, A. A.
A1  - Koetz, Joachim
T1  - Catanionic AOT/BDAC micelles on gold {111} surfaces
JF  - Colloid and polymer science : official journal of the Kolloid-Gesellschaft
N2  - A sodium dioctyl sulfosuccinate (AOT)/benzyl hexadecyl dimethyl ammonium chloride (BDAC) mixed micelle self-organization and adsorption on gold Au(111) surfaces have been investigated using a molecular dynamics approach. The spherical AOT/BDAC mixed micelle is strongly adsorbed on the gold surface and is disoriented to a cylinder-like shape.
KW  - AOT/BDAC micelles
KW  - Gold surfaces
KW  - Molecular dynamics
Y1  - 2018
U6  - https://doi.org/10.1007/s00396-018-4348-1
SN  - 0303-402X
SN  - 1435-1536
VL  - 296
IS  - 8
SP  - 1301
EP  - 1306
PB  - Springer
CY  - New York
ER  - 
TY  - JOUR
A1  - Kramer, Markus
A1  - Kleinpeter, Erich
T1  - A conformational study of N-acetyl glucosamine derivatives utilizing residual dipolar couplings
JF  - Journal of magnetic resonance
N2  - The conformational analyses of six non-rigid N-acetyl glucosamine (NAG) derivatives employing residual dipolar couplings (RDCs) and NOEs together with molecular dynamics (MD) simulations are presented. Due to internal dynamics we had to consider different conformer ratios existing in solution. The good quality of the correlation between theoretically and experimentally obtained RDCs show the correctness of the calculated conformers even if the ratios derived from the MD simulations do not exactly meet the experimental data. If possible, the results were compared to former published data and commented.
KW  - NMR
KW  - Residual dipolar couplings
KW  - Molecular dynamics
KW  - N-acetyl glucosamine derivatives
KW  - Carbohydrates
Y1  - 2011
U6  - https://doi.org/10.1016/j.jmr.2011.06.029
SN  - 1090-7807
VL  - 212
IS  - 1
SP  - 174
EP  - 185
PB  - Elsevier
CY  - San Diego
ER  -