IL PORTALE per la RICERCA dei DIPARTIMENTI

Pescitelli G (2011) ""Marking" the Nitrogen Atoms of Phenyl-(2-pyridyl)-(3-pyridyl)-(4-pyridyl)-methane. Synthesis and Absolute Configuration of the Corresponding Tris(pyridine N-oxide)"

Borsacchi S, Mennucci B, Geppi M (2011) "13C Chemical Shielding Tensors: A Combined Solid-State NMR and DFT Study of the Role of Small-Amplitude Motions"

CHIELLINI F (2011) "2-Methoxy aniline grafted poly(maleic anhydride-alt-butyl vinyl ether) hemiester: A new biocompatible polymeric free radical scavenger"

Saliu F (2011) "A facile synthesis of 3-alkyl-5-methyloxazolidine-2,4-diones and N-lactyl-N,N’-dialkylureas"

AMOVILLI C (2011) "A form of the single-particle kinetic energy density of an inhomogeneous electron liquid from a combination of one-body potential and ground-state electron density"

Modugno F, Lucejko JJ, Colombini M (2011) "A multi-analytical approach for the characterization of powders from the Pompeii archaeological site"

UCCELLO BARRETTA G. (2011) "A nuclear magnetic resonance approach to the comparison of mucoadhesive properties of polysaccharides for ophthalmic uses"

Colombini MP, Modugno F, Saliu F (2011) "A round robin exercise in archaeometry: analysis of a blind sample reproducing a seventeenth century pharmaceutical ointment"

SABRINA BIANCHI, VALTER CASTELVETRO (2011) "A tri-block copolymer templated synthesis of gold nanostructures"

UCCELLO BARRETTA G. (2011) "A way to decylamine-stabilized gold nanoparticles of tailored sizes tuning their growth in solution"

MARCHETTI F (2011) "Addition of alkynes at bridging vinyliminium ligands in diiron complexes: Unprecedented diene formation by enyne-like metathesis"

Persico M (2011) "Algorithms for Sampling a Quantum Microcanonical Ensemble of Harmonic Oscillators at Potential Minima and Conical Intersections"

Gabbiani C (2011) "Aluminum, copper, iron and zinc differentially alter amyloid-Abeta(1-42) aggregation and toxicity"

VALTER CASTELVETRO (2011) "Amphiphilic amylose-g-poly(meth)acrylate copolymers through “click” onto grafting method"

Elisa Martinelli, Giancarlo Galli (2011) "Amphiphilic block copolymer/poly(dimethylsiloxane) (PDMS) blends and nanocomposites for improved fouling-release"

CACELLI I (2011) "An Integrated Protocol for the Accurate Calculation of Magnetic Interactions in Organic Magnets"

RIBECHINI E, M. P. COLOMBINI (2011) "Analytical pyrolysis with in situ thermally assisted derivatisation, Py(HMDS)-GC/MS, for the chemical characterization of archaeological birch bark tar"

F. MARCHETTI (2011) "Assembly and incorporation of a CO2Me group into a bridging vinyliminium ligand in a diiron complex"

BELLI DELL'AMICO D., LABELLA L., MARCHETTI F. (2011) "Bent Dinuclear Platinum(II) Halo-Bridged Carbonyl Complexes"

DOLCI S, MARCHETTI F, PAMPALONI G (2011) "CN Bond-Forming Self-Condensation of Amide Promoted by MoCl5 at Room Temperature"

CAPPELLI C, B. MENNUCCI (2011) "Cavity Field effects within a polarizable continuum model of solvation: application to the calculation of electronic circular dichroism spectra of R-(+)-3- Methyl-cyclopentanone"

Ribechini E, Colombini M (2011) "Characterisation of an ancient 'chemical' preparation: pigments and drugs in the medieval Islamic Spain"

BELLINA F (2011) "Chiral ionic liquid-mediated photochirogenesis. Enantiodifferentiating photocyclodimerization of 2-anthracenecarboxylic acid"

PESCITELLI G, DI BARI L (2011) "Chirality Driven Self-Assembly in a Fluorescent Organogel"

CHIELLINI F (2011) "Chitosan - A versatile semi-synthetic polymer in biomedical applications"

Pucci A, Ruggeri G (2011) "Colour responsive smart polymers and biopolymers films through nanodispersion of organic chromophores and metal particles"

CACELLI I (2011) "Complementary and Partially Complementary DNA duplexes tethered to a functionalized substrate: a molecular dynamics approach to biosensing"

G. PESCITELLI, DI BARI L (2011) "Conformational aspects in the studies of organic compounds by electronic circular dichroism"

RASPOLLI GALLETTI A., VALENTINI G (2011) "Conversion of biomass to levulinic acid, a new feedstock for the chemical industry"

Raspolli Galletti A (2011) "Copolymerization of ethylene with a vinyl ether bearing a fluorinated group"

Marchetti F (2011) "C–H Activation in Diiron Bridging Vinyliminium Ligands: Reaction with CS2 to Form New Zwitterionic Complexes Acting as Organometallic Ligands"

Biver T (2011) "DNA binding of a proflavine derivative bearing a platinum hanging residue"

CAPPELLI C (2011) "David Bishop approach to vibrational dynamic contributions to molecular properties. Application to Jones and Magnetoelectric birefringences in diatomic molecules"

CHIELLINI F (2011) "Dead Sea Minerals loaded polymeric nanoparticles"

Bonaduce I, Colombini MP (2011) "Deamidation at Asparagine and Glutamine As a Major Modification upon Deterioration/Aging of Proteinaceous Binders in Mural Paintings"

MENNUCCI B (2011) "Definition of the hydrogen bond (IUPAC Recommendations 2011)"

MENNUCCI B (2011) "Dening the hydrogen bond: An account (IUPAC Technical Report)"

Iuliano A (2011) "Deoxycholic Acid Derived Monophosphites as Chiral Ligands in the Asymmetric Suzuki-Miyaura Cross-Coupling"

Domenici V (2011) "Depth profile of optically recorded patterns in light-sensitive liquid-crystal elastomers"

Borsacchi S, Geppi M (2011) "Detailed Characterization of the Dynamics of Ibuprofen in the Solid State by a Multi-Technique NMR Approach"

M. GEPPI, MENNUCCI B (2011) "Determination of Order Parameters in Laterally Fluorosubstituted Terphenyls by 19F-NMR,Optical and Dielectric Anisotropies"

Chiellini F (2011) "Development of 3D wet-spun polymeric scaffolds loaded with antimicrobial agents for bone engineering"

DENTI G (2011) "Dinuclear Tris(1-pyrazolyl)methane Complexes of Ru(II)"

Ribechini E, Modugno F, Colombini M (2011) "Discovering the composition of ancient cosmetics and remedies: analytical techniques and materials"

Pescitelli G (2011) "Diversonol and Blennolide Derivatives from the Endophytic Fungus Microdiplodia sp.: Absolute Configuration of Diversonol"

Borsacchi S, Geppi M (2011) "Dynamics by Solid-State NMR: Detailed Study of Ibuprofen Na Salt and Comparison with Ibuprofen"

DOMENICI V (2011) "Dynamics in the isotropic and nematic phases of bent-core liquid crystals: NMR perspectives"

Geppi M (2011) "Dynamics of Ethylene-Propylene Random Copolymers by H-1 and C-13 Solid-State NMR"

Marchetti F, Pampaloni G, Raspolli Galletti A.M. (2011) "Easily Available Niobium(V) Mixed Chloro-Alkoxide Complexes as Catalytic Precursors for Ethylene Polymerization "

MARCHETTI F, PAMPALONI G, RASPOLLI GALLETTI A M (2011) "Easily-Available Oxygen-Containing Derivatives of Niobium Pentachloride as Catalytic Precursors for Ethylene Polymerization"

Tine' MR, Duce C, Ghezzi L (2011) "Effect of temperature on self-assembly of an ionic tetrapeptide"

CAPPELLI C (2011) "Effective Time-Independent Calculations of Vibrational Resonance Raman Spectra of Isolated and Solvated Molecules Including Duschinsky and Herzberg-Teller Effects"

Andreussi O (2011) "Electrochemical Windows of Room-Temperature Ionic Liquids from Molecular Dynamics and Density Functional Theory Calculations"

Funaioli T, Marchetti F, Pampaloni G (2011) "Electrochemical, EPR and Computational Results on [Fe2Cp2(CO)2]-Based Complexes with a Bridging Hydrocarbyl Ligand"

Cappelli C (2011) "Erratum: “Towards an accurate description of anharmonic infrared spectra in solution within the polarizable continuum model: Reaction field, cavity field and nonequilibrium effects” [J. Chem. Phys. 135, 104505 (2011)]"

Marchetti F, Pampaloni G, Raspolli Galletti A.M. (2011) "Ethylene Polymerization by Niobium(V) N,N-Dialkylcarbamates Activated with Aluminum Co-catalysts"

RASPOLLI GALLETTI A M, PAMPALONI G (2011) "Ethylene polymerization using novel titanium catalytic precursors bearing N,N-dialkylcarbamato ligands"

MENNUCCI B (2011) "Excited-state calculations with TDDFT: from benchmarks to simulations in complex environments"

Gabbiani C (2011) "Exploring the Reactions of beta-Amyloid (A beta) Peptide 1-28 with Al(III) and Fe(III) Ions"

CHIELLINI F (2011) "Fibrin acts as biomimetic niche inducing both differentiation and stem cell marker expression of early human endothelial progenitor cells"

Ribechini E, Colombini M (2011) "First chemical evidence of royal purple as a material used for funeral treatment discovered in a Gallo-Roman burial (Naintre, France, third century AD)"

Domenici V (2011) "First liquid single crystal elastomer containing lactic acid derivative as chiral co-monomer: Synthesis and properties"

Ghimenti S (2011) "Flow injection-chemical vapor generation atomic fluorescence spectrometry hyphenated system for organic mercury determination: A step forward."

MENNUCCI B (2011) "Fluorescence and phosphorescence of acetone in neat liquid and aqueous solution as studied by QM/MM and PCM approaches,"

Colombini M (2011) "Focus on analytical chemistry to illuminate the past"

PAMPALONI G, MARCHETTI F (2011) "Further Insights into the Chemistry of Niobium and Tantalum Pentahalides with 1,2-Dialkoxyalkanes: Synthesis of Bromo- and Iodoalkoxides, Spectroscopic and Computational Studies"

RIBECHINI E, M.P. COLOMBINI (2011) "Gas chromatography/mass spectrometry and pyrolysis-gas chromatography/mass spectrometry for the chemical characterisation of modern and archaeological figs (Ficus carica)"

Pucci A, Ruggeri G (2011) "Gold nanoparticles-polyaniline composite material: Synthesis, structure and electrical properties"

GRANUCCI G, PERSICO M (2011) "Gradients for Configuration Interaction energies with Spin-Orbit coupling in a semiempirical framework"

Pucci A, Ruggeri G (2011) "Guest-controlled aggregation of cavitand gold nanoparticles and N-methyl pyridinium-terminated PEG"

Saliu F, Modugno F, Colombini MP (2011) "HPLC–APCI-MS analysis of triacylglycerols (TAGs) in historical pharmaceutical ointments from the eighteenth century"

CHIELLINI F (2011) "Hemoglobin loaded polymeric nanoparticles: Preparation and characterizations"

BELLINA F (2011) "Highly Selective Palladium-Catalyzed Direct CH alpha-Monoarylation of Carbonyl Compounds using Water Containing the Surfactant Polyoxyethylene--Tocopheryl Sebacate (PTS) as a Solvent"

BELLINA F (2011) "Highly selective palladium-catalyzed Suzuki–Miyaura monocoupling reactions of ethene and arene derivatives bearing two or more electrophilic sites"

Degano I, Colombini MP (2011) "Historical and archaeological textiles: an insight on degradation products of wool yarns"

AMOVILLI C (2011) "Hookean atom with four electrons: On the formation of a tetrahedral Wigner molecule in the weak trapping limit"

Saliu F (2011) "Horseradish peroxidase catalyzed oxidative cross-coupling reactions: the synthesis of ‘unnatural’ dihydrobenzofuran lignans"

RASPOLLI GALLETTI A (2011) "Hydrogenation of p-Chloronitrobenzene over Nanostructured-Carbon-Supported Ruthenium Catalysts "

Gabbiani C (2011) "Hypericins and thioredoxin reductase: Biochemical and docking studies disclose the molecular basis for effective inhibition by naphthodianthrones"

CHIELLINI F (2011) "Identification of selective ligands for human fibrin recognition by means of High-Throughput Docking"

Fuoco R., Di Francesco F. (2011) "Identification of warfarin in the oral fluid of patients undergoing anticoagulant oral therapy"

PETRI A (2011) "Immobilization of matrix metalloproteinase 8 (MMP-8) for online drug screening"

S. JURINOVICH, D. CATALANO, MENNUCCI B (2011) "Integrated NMR and Computational Study of Push–Pull NLO Probes: Interplay of Solvent and Structural Effects"

Pucci A, Ruggeri G (2011) "Langmuir-Schaefer films of a polyaniline-gold nanoparticle composite material for applications in organic memristive devices"

Galli G (2011) "Linear Viscoelastic Behavior of an Azobenzene Nematic Block Copolymer"

GALLI G (2011) "Liquid crystalline co-polysiloxane with asymmetric bent-shaped side chains”"

CHIELLINI F (2011) "Macroporous Bioglass®-derived scaffolds for bone tissue regeneration"

S. Ghimenti, T. Lomonaco, Fuoco R, F. Di Francesco (2011) "Measurement of Warfarin in the Oral Fluid of Patients Undergoing Anticoagulant Oral Therapy"

Gabbiani C (2011) "Mechanistic studies on two dinuclear organogold(III) compounds showing appreciable antiproliferative properties and a high redox stability"

Pucci A, Ruggeri G (2011) "Mechanochromic polymer blends"

MENNUCCI B, CAPPELLI C (2011) "Modeling Solvent Effects on Chiroptical Properties"

MANDOLI A, UCCELLO BARRETTA G (2011) "Mono- and bis-Quinidine Organocatalysts in the Asymmetric Methanolysis of Cis-1,2,3,6-Tetrahydrophthalic Anhydride: A Conformational and Mechanistic NMR Study"

PAMPALONI G (2011) "N,N-Dialkylcarbamato Derivatives of Niobium and Tantalum as Precursors to Metal-Functionalized Silica Surfaces"

UCCELLO BARRETTA G. (2011) "NMR and Computational Investigations of the Chiral Discrimination Processes Involving a Cyclic Tetraamidic Chiral Selector"

UCCELLO BARRETTA G. (2011) "NMR enantiodiscrimination by pentafluorophenylcarbamoyl derivatives of quinine: C10 versus C9 derivatization"

Geppi M (2011) "NMR study of a phasmid-like liquid crystal"

Pucci A (2011) "New Anion Conducting Membranes Based on Functionalized Styrene-Butadiene-Styrene Triblock Copolymer for Fuel Cells Applications"

Domenici V (2011) "New composite films based on MoO3-x nanowires aligned in a liquid single crystal elastomer matrix"

Elisa Martinelli, Giancarlo Galli (2011) "New poly(dimethylsiloxane)/poly(perfluorooctylethyl acrylate) block copolymers: structure and order across multiple length scales in thin films"

MENNUCCI B (2011) "Nonsymmetric bent-core liquid crystals based on a 1,3,4-thiadiazole core unit and their nematic mesomorphism"

Ruggeri G, Borsacchi S, Geppi M (2011) "Optical properties of a polyethylene dispersion with a luminescent silica prepared by surface grafting of a perylene derivative"

CHIELLINI F (2011) "Optimized electro- and wet-spinning techniques for the production of polymeric fibrous scaffolds loaded with bisphosphonate and hydroxyapatite"

CACELLI I (2011) "Organic Functionalization and Optimal Coverage of a Silicon (111) Surface in Solvent: a Computational Study"

Geppi M (2011) "Orientational Order, Molecular Organization, and Dynamics in Mixtures of Bent-Core and Rod-Shaped Mesogens: A H-2 NMR Study"

Borsacchi S, Geppi M (2011) "Orientational order of liquid crystals by B-11 NMR spectroscopy"

GRANUCCI G, PERSICO M (2011) "Photodynamics and time resolved fluorescence of azobenzene in solution: A mixed quantum-classical simulation"

MENNUCCI B (2011) "Photosynthetic Light-Harvesting Is Tuned by the Heterogeneous Polarizable Environment of the Protein"

CHIELLINI F, FERRI M (2011) "Physical-chemical assessment of di-(2-ethylhexyl)-phthalate leakage from poly(vinyl chloride) endotracheal tubes after application in high risk newborns"

MENNUCCI B (2011) "Polarity-Sensitive Fluorescent Probes in Lipid Bilayers: Bridging Spectroscopic Behavior and Microenvironment Properties"

CHIELLINI F (2011) "Poly(vinyl alcohol)-based electrospun meshes as potential candidate scaffolds in regenerative medicine"

Pucci A, Ruggeri G (2011) "Polymer composites with smart optical properties"

CHIELLINI F (2011) "Polymeric nanostructured items electrospun on a cylindrical template: A simple procedure for their removal"

Borsacchi S, Geppi M, Ruggeri G (2011) "Preparation, characterization and solid state NMR investigation of a dye-containing smectite clay"

C. Gabbiani (2011) "Protein Targets for Anticancer Gold Compounds: Mechanistic Inferences"

DI BARI L (2011) "Pseudocontact shifts in lanthanide complexes with variable crystal field parameters"

Caprasecca S, Mennucci B (2011) "Quantum mechanical study of the solvent-dependence of electronic energy transfer rates in a Bodipy closely-spaced dyad"

DI BARI L (2011) "REVERSIBLE MUTAROTATION IN A MACROCYCLIC YTTERBIUM COMPLEX"

Gabbiani C (2011) "Reactions of metallodrugs with proteins: selective binding of phosphane-based platinum(II) dichlorides to horse heart cytochrome c probed by ESI MS coupled to enzymatic cleavage. "

Denti G. (2011) "Reactivity of Tris(1-pyrazolyl)methane Towards Ru0 Complexes"

Gabbiani C (2011) "Recent progress in the application of analytical techniques to anticancer metallodrug proteomics"

Carnimeo I (2011) "Reliable structural, thermodynamic, and spectroscopic properties of organic molecules adsorbed on silicon surfaces from computational modeling: the case of glycine@Si(100)"

FUNAIOLI T, MARCHETTI F, PAMPALONI G (2011) "Reversible Reductive Dimerization of Diiron µ-Vinyl Complex via C–C Coupling: Characterization and Reactivity of the Intermediate Radical Species"

MARCHETTI F, PAMPALONI G (2011) "Room Temperature Long-Lived [Nb2F11]- Salts of Radical Cations of Simple Arenes: EPR, UV-VIS and DFT Results"

Biver T (2011) "Route to Metallacrowns: The Mechanism of Formation of a Dinuclear Iron(III)-Salicylhydroxamate Complex"

Gabbiani C (2011) "Selected gold compounds cause pronounced inhibition of Falcipain 2 and effectively block P. falciparum growth in vitro"

MENNUCCI B (2011) "Self Consistent Field and Polarizable Continuum Model: a new strategy of solution for the coupled equations"

Pescitelli G (2011) "Separation of Betti Reaction Product Enantiomers: Absolute Configuration and Inhibition of Botulinum Neurotoxin A"

CACELLI I (2011) "Singlet-triplet energy gap of a diarylnitroxide diradical by an accurate many-body perturbative approach"

Pescitelli G (2011) "Solid-State Circular Dichroism and Hydrogen Bonding: Absolute Configuration of Massarigenin A from Microsphaeropsis sp."

DI BARI L (2011) "Static and Dynamic Stereochemistry of Chiral Ln DOTA Analogues"

CHIELLINI F (2011) "Statistical approach to the spectroscopic determination of the deacetylation degree of chitins and chitosans"

Gabbiani C (2011) "Structural and solution chemistry, protein binding and antiproliferative profiles of gold(I)/(III) complexes bearing the saccharinato ligand"

Martini F, Borsacchi S, Geppi M (2011) "Structure, dynamics and interactions of complex sol-gel hybrid materials through SSNMR and DSC: Part I, binary systems based on PE-PEG block copolymer, PHS and silica"

Borsacchi S, Martini F, Geppi M (2011) "Structure, dynamics and interactions of complex sol-gel hybrid materials through SSNMR and DSC: Part II, ternary systems based on PE-PEG block copolymer, PHS and silica"

Di Bari L, Pescitelli G (2011) "Structure, resolution and chiroptical analysis of stable lanthanide complexes of a pyridylphenylphosphinate triazacyclononane ligand"

Gabbiani C (2011) "Structure, solution chemistry, antiproliferative actions and protein binding properties of non-conventional platinum(II) compounds with sulfur and phosphorus donors. "

MENNUCCI B (2011) "Surface-Enhanced Fluorescence within a Metal Nanoparticle Array: The Role of Solvent and Plasmon Couplings"

Di Bari L (2011) "Synthesis of 3-aryl-4-methyl-1,2-benzenedisulfonimides, new chiral Bronsted acids. A combined experimental and theoretical study"

UCCELLO BARRETTA G (2011) "Synthesis of carba analogs of 6-O-(benzyl)-D-allal- and -D-galactal-derived allyl epoxides and evaluation of the regio- and stereoselective behavior in nucleophilic addition reactions"

Biver T, Pucci A, Ruggeri G (2011) "Synthesis, characterization, DNA interaction and potential applications of gold nanoparticles functionalized with Acridine Orange fluorophores"

Degano I, Colombini M (2011) "THE INFLUENCE OF THE HOST-GUEST INTERACTION ON THE OXIDATION OF NATURAL FLAVONOID DYES"

TINE' M (2011) "The Disquac Model"

Degano I (2011) "The oxidation mechanism of the antioxidant quercetin in nonaqueous media"

Marchetti F, Pampaloni G (2011) "The reactivity of NbX5 (X = F, Cl) with lactons, lactams, and the synthesis of the first nucleobase-containing niobium complex"

Domenici V (2011) "The role of NMR in the study of partially ordered materials: Perspectives and challenges"

MENNUCCI B (2011) "The role of the environment in electronic energy transfer: a molecular modeling perspective"

Degano I, Lucejko JJ, Colombini MP (2011) "The unprecedented identification of Safflower dyestuff in a 16th century tapestry through the application of a new optimized diagnostic procedure"

Castelvetro V, Bianchi S, Bonaduce I (2011) "Thermal Degradation Behavior of a Nearly Alternating Copolymer of Vinylidene Cyanide with 2,2,2-Trifluoroethyl Methacrylate"

Biver T, Mennucci B (2011) "Thiazole orange (TO) as a light-switch probe: a combined quantum-mechanical and spectroscopic study"

DI BARI L (2011) "Thiophene Based Europium ß-Diketonate Complexes: Effect of the Ligand Structure on the Emission Quantum Yield"

Gabbiani C (2011) "Thioredoxin reductase, an emerging target for anticancer metallodrugs. Enzyme inhibition by cytotoxic gold(III) compounds studied with combined mass spectrometry and biochemical assays"

VALTER CASTELVETRO, SABRINA BIANCHI (2011) "Three Different ß-Cyclodextrins Direct the Emulsion Copolymerization of a Highly Fluorinated Methacrylate Towards Distinctive Nanostructured Particle Morphologies"

Pescitelli G (2011) "Three New Antimicrobial Metabolites from the Endophytic Fungus Phomopsis sp."

Carnimeo I (2011) "Time-Dependent Density Functional Tight Binding: New Formulation and Benchmark of Excited States"

Cappelli C (2011) "Towards and Accurate Description of Anharmonic Infrared Spectra in Solution within the Polarizable Continuum Model: Reaction Field, Cavity Field and Nonequilibrium Effects"

MENNUCCI B (2011) "Using Molecular Dynamics and Quantum Mechanics Calculations To Model Fluorescence Observables"

Pescitelli G (2011) "Viburspiran, an Antifungal Member of the Octadride Class of Maleic Anhydride Natural Products"

UCCELLO BARRETTA G., AIELLO F. (2011) "Water soluble heptakis(6-deoxy-6-thio)cyclomaltoheptaose capped gold nanoparticles via metal vapor synthesis: NMR structural characterization and complexation properties"

Di Francesco F, Calisi N, Melai B, Salvo P (2011) "Water sorption by anhydrous ionic liquids"

Gabbiani C (2011) "X-ray absorption spectroscopy studies of the adducts formed between cytotoxic gold compounds and two major serum proteins"

Ribechini E (2011) "‘Treasures… of black wood, brilliantly polished’: five examples of Taíno sculpture from the tenth–sixteenth century Caribbean"