University of Bremen                                  Hybrid Materials Interfaces Group Fachbreich Produktionstechnik

HMI Group

Massimo Delle Piane
 

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Papers

18. C. Pavan, M. Delle Piane, M. Gullo, F. Filippi, B. Fubini, P. Hoet, C. Horwell, F. Huaux, D. Lison,
C. Lo Giudice, G. Martra, E. Montfort, R. Schins, M. Sulpizi, M. Wyart-Remy, C. Ziemann, F. Turci
The puzzling issue of silica toxicity: Are silanols bridging the gaps between surface states and pathogenicity?
Particle and Fibre Toxicology, Accepted (2019)
17. M. Michaelis, N. Hildebrand, R.H. Meißner, N. Wurzler, Z. Li, J. D. Hirst, A. Micsonai, J. Kardos,
M. Delle Piane, L. Colombi Ciacchi
Impact of the conformational variability of oligopeptides on the computational prediction of their CD spectra
Journal of Physical Chemistry B, DOI: 10.1021/acs.jpcb.9b03932 (2019) Full text
16. N. Hildebrand, M. Michaelis, N. Wurzler, Z. Li, J.D. Hirst, A. Micsonai, J. Kardos,
A. Gil-Ley, G. Bussi, S. Köppen, M. Delle Piane, L. Colombi Ciacchi
Atomistic details of chymotrypsin conformational changes upon adsorption on silica
ACS Biomaterials Science & Engineering 4, 4036-4050 (2018) Full text
15. R. Kun, F. Langer, M. Delle Piane, S. Ohno, W. Zeier, M. Gockeln,
L. Colombi Ciacchi, M. Busse, I. Fekete
Structural and computational assessment of the influence of wet-chemical post-processing of the Al-substituted cubic Li7La3Zr2O12
ACS Applied Materials and Interfaces 10, 37188-37197 (2018) Full text
14. A. Šulce, J. Backenköhler, I. Schrader, M. Delle Piane, C. Müller, A. Wark, L. Colombi Ciacchi, V. Azov, S. Kunz
Ligand-functionalized Pt nanoparticles as asymmetric heterogeneous catalysts: molecular reaction control by ligand-reactant interactions
Catalysis Science & Technology 8, 6062-6075 (2018) (Front Cover) Full text
13. M. Delle Piane, S. Potthoff, C.J. Brinker, L. Colombi Ciacchi
Molecular dynamics simulations of the silica - cell membrane interaction: insights on biomineralization and nanotoxicity
Journal of Physical Chemistry C 122, 21330-21343 (2018) Full text
12. M. Delle Piane, M. Corno, P. Ugliengo
Ab Initio Modeling of Hydrogen Bond Interaction at Silica Surfaces With Focus on Silica/ Drugs Systems
In: Modelling and Simulation in the Science of Micro- and Mesoporous Materials, 1st edition. C.R.A Catlow, V. van Speybroeck, R. van Santen, Editors. Elsevier: Amsterdam, pp 297-328 (2018) Full text
11. M. Corno, M. Delle Piane, P. Choquet, P. Ugliengo
Models for biomedical interfaces: computational study of quinone-functionalized amorphous silica surface features
Physical Chemistry Chemical Physics 19, 7793-7806 (2017) Full text
10. F. Chiatti, M. Delle Piane, P. Ugliengo, M. Corno
Water at hydroxyapatite surfaces: the effect of coverage and surface termination as investigated by all-electron B3LYP-D* simulations
Theoretical Chemistry Accounts 135, 54 (2016) Full text
9. M. Delle Piane, M. Corno, P. Ugliengo
Propionic acid derivatives confined in mesoporous silica: monomers or dimers? The case of ibuprofen investigated by static and dynamic ab initio simulations
Theoretical Chemistry Accounts 135, 53 (2016) Full text
8. M. Delle Piane, M. Corno, R. Orlando, R. Dovesi, P. Ugliengo
Elucidating The Fundamental Forces In Protein Crystal Formation: The Case Of Crambin
Chemical Science 7, 1496 (2016) Full text
7. A. Gignone, M. Delle Piane, M. Corno, P. Ugliengo, B. Onida
Simulation and Experiment Reveal a Complex Scenario for the Adsorption of an Antifungal Drug in Ordered Mesoporous Silica
Journal of Physical Chemistry C 119, 13068 (2015) Full text
6. M. Corno, M. Delle Piane, S. Monti, M. Moreno, P. Choquet, P. Ugliengo
Computational Study of Acidic and Basic Functionalized Crystalline Silica Surfaces as Model for Biomaterial Interfaces
Langmuir 31, 6321 (2015) Full text
5. M. Delle Piane, M. Corno, A. Pedone, R. Dovesi, P. Ugliengo
Large-scale B3LYP Simulations of Ibuprofen Adsorbed in MCM-41 Mesoporous Silica as Drug Delivery System
Journal of Physical Chemistry C 118, 26737 (2014) Full text
4. M. Delle Piane, S. Vaccari, M. Corno, P. Ugliengo
Silica-Based Materials as Drug Adsorbents: First Principle Investigation on the Role of Water Microsolvation on Ibuprofen Adsorption
Journal of Physical Chemistry A 118, 5801 (2014) Full text
3. F. Peccati, M. Corno, M. Delle Piane, G. Ulian, G. Valdré, P. Ugliengo
CO32- Mobility in Carbonate Apatite As Revealed by Density Functional Modeling
Journal of Physical Chemistry C 118, 1364 (2014) Full text
2. M. Delle Piane, M. Corno, P. Ugliengo
Does Dispersion Dominate over H-Bonds in Drug-Surface Interactions? The Case of Silica-Based Materials as Excipients and Drug-Delivery Agents
Journal of Chemical Theory and Computation 9, 2404 (2013) Full text
1. R. Orlando, M. Delle Piane, I. J. Bush, P. Ugliengo, M. Ferrabone, R. Dovesi
A New Massively Parallel Version of CRYSTAL for Large Systems on High Performance Computing Architectures
Journal of Computational Chemistry 33, 2276 (2012) Full text