Experimental and first-principles IR characterization of quercetin adsorbed on a silica surface

Mesoporous silica as topical nanocarriers for quercetin: characterization and in vitro studies

(2015) Simona Sapino et al.   EUROPEAN JOURNAL OF PHARMACEUTICS AND BIOPHARMACEUTICS

Large-Scale B3LYP Simulations of Ibuprofen Adsorbed in MCM-41 Mesoporous Silica as Drug Delivery System

(2014) Massimo Delle Piane et al.   Journal of Physical Chemistry C

Silica Surface Features and Their Role in the Adsorption of Biomolecules: Computational Modeling and Experiments

(2013) Albert Rimola et al.   CHEMICAL REVIEWS

NMR crystallography methods to probe complex hydrogen bonding networks: application to structure elucidation of anhydrous quercetin

(2013) Xenia Filip et al.   CRYSTENGCOMM

MCM-41 as a useful vector for rutin topical formulations: Synthesis, characterization and testing

(2013) Gloria Berlier et al.   INTERNATIONAL JOURNAL OF PHARMACEUTICS

Does Dispersion Dominate over H-Bonds in Drug–Surface Interactions? The Case of Silica-Based Materials As Excipients and Drug-Delivery Agents

(2013) Massimo Delle Piane et al.   Journal of Chemical Theory and Computation

Stabilization of quercetin flavonoid in MCM-41 mesoporous silica: positive effect of surface functionalization

(2012) Gloria Berlier et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

A new massively parallel version of CRYSTAL for large systems on high performance computing architectures

(2012) Roberto Orlando et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Mesoporous silica as a carrier for topical application: the Trolox case study

(2012) L. Gastaldi et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Cooperative effects at water–crystalline silica interfaces strengthen surface silanol hydrogen bonding. An ab initio molecular dynamics study

(2012) Federico Musso et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Physicochemical properties and thermal stability of quercetin hydrates in the solid state

(2012) G.S. Borghetti et al.   THERMOCHIMICA ACTA

Structural analysis and multipole modelling of quercetin monohydrate – a quantitative and comparative study

(2010) Sławomir Domagała et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

Physisorption of aromatic organic contaminants at the surface of hydrophobic/hydrophilic silica geosorbents: a B3LYP-D modeling study

(2010) Albert Rimola et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Realistic Models of Hydroxylated Amorphous Silica Surfaces and MCM-41 Mesoporous Material Simulated by Large-scale Periodic B3LYP Calculations

(2008) P. Ugliengo et al.   ADVANCED MATERIALS

B3LYP augmented with an empirical dispersion term (B3LYP-D*) as applied to molecular crystals

(2007) Bartolomeo Civalleri et al.   CRYSTENGCOMM