IL PORTALE per la RICERCA dei DIPARTIMENTI

E. Carosati, G. Cruciani (2012) "1,4-Dihydropyridine Scaffold in Medicinal Chemistry, The Story So Far And Perspectives (Part 2): Action in Other Targets and Antitargets"

F. Pirani, A. Lagana' (2012) "A Molecular Dynamics Study of Sodium Dodecyl Sulfate-Methane System in Water Using the Improved Lennard Jones formulation"

F.Ortica, A.Romani (2012) "A Nd-loaded Liquid Organic Scintillator for the Experiment Aimed at Measuring Double ß Decay"

A. Lagana (2012) "A classical versus quantum mechanics study of the OH + CO -> CO2 + H reaction"

P. Casavecchia, N. Balucani (2012) "A crossed beam study of the reaction CN+C2H4 at a high collision energy: the opening of a new reaction channel"

Fernando Pirani, Antonio Laganà, Andrea Lombardi (2012) "A full dimensional grid empowered simulation of the CO2 + CO2 processes"

Lagana' A. (2012) "A priori modeling of chemical reactions on computational grid platforms: workflows and data models"

A. Laganà (2012) "AN INNOVATIVE COMPUTATIONAL COMPARISON OF EXACT AND CENTRIFUGAL SUDDEN QUANTUM PROPERTIES OF THE N+N2 REACTION"

F.Ortica, A.Romani (2012) "Absence of a day-night asymmetry in the 7Be solar neutrino rate in Borexino"

F. Elisei (2012) "Acid-Base Properties of the N3 Ruthenium(II) Solar Cell Sensitizer: a Combined Experimental and Computational Analysis."

F. Pirani (2012) "Alkali-Ion Microsolvation with Benzene Molecules"

Lagana' A. (2012) "An Extension of the Grid Empowered Molecular Simulator to Quantum Reactive Scattering"

C. Zuccaccia, G. Bellachioma, A. Macchioni (2012) "An NMR Study on the Oxidative Degradation of Cp*Ir-Catalysts for Water Oxidation: Evidence for a Preliminary Attack on the Quaternary Carbon of the–C–CH3 Moiety"

Achilli A (2012) "Ancient migratory events in the Middle East: new clues from the Y-chromosome variation of modern Iranians"

F.Ortica, A.Romani (2012) "Antineutrino studies with Borexino detector"

A. Lagana´, F. Pirani (2012) "Are Micelles Needed to Form Methane Hydrates in Sodium Dodecyl Sulfate Solutions?"

Elia AC (2012) "Are antioxidant and transcriptional responses useful for discriminating between chemo- and radiotoxicity of uranium in the crayfish Procambarus clarkii?"

Achilli A (2012) "Arrival of Paleo-Indians to the Southern Cone of South America: New Clues from Mitogenomes"

F.Ortica, A.Romani (2012) "Artificial neutrino source experiment in Borexino"

Gabriele Cruciani (2012) "BDDCS Class Prediction for New Molecular Entities"

P. L. Gentili (2012) "Belousov-Zhabotinsky “chemical neuron” as a binary and fuzzy logic processor"

F. Pirani (2012) "Benzene water interaction: From gaseous dimers to solvated aggregates"

S.Martino (2012) "Biocompatible Poly(l-lactide)/MWCNT Nanocomposites: Morphological Characterization, Electrical Proprieties, and Stem Cell Interation."

F.Ortica, A.Romani (2012) "Borexino calibrations: Hardware, Methods, and Results"

Achilli A (2012) "Bulgarians vs the other European populations: a mitochondrial DNA perspective"

N. Balucani, P. Casavecchia (2012) "Combined crossed beam and theoretical studies of the N(2D)+C2H4 reaction and implications for atmospheric models of Titan"

F. Pirani (2012) "Competitive Role of CH4-CH4 and CH-p Interactions in C6H6-(CH4)n Aggregates: The Transition from Dimer to Cluster Features"

DONNADIO A (2012) "Conductivity and hydration of sulfonated polyethersulfone in the range 70 – 120°C: effect of temperature and relative humidity cycling"

M. Casciola (2012) "Conductivity and hydration of sulfonated polyethersulfone in the range 70-120°C: effect of temperature and relative humidity cycling"

Lorenzoni M. (2012) "Confirmation of the hosts involved in the life-cycle of an acanthocephalan parasite of Anguilla anguilla (L.) from Lake Piediluco and its effect on the reproductive potential of its amphipod intermediate host."

F.Ortica, A.Romani (2012) "Cosmic-muon flux and annual modulation in Borexino at 3800 m water-equivalent depth"

Lancioni H, Achilli A (2012) "Decrypting the mitochondrial gene pool of modern Panamanians"

M. Paolantoni (2012) "Dynamics of Biological Water: Insights from Molecular Modeling of Light Scattering in Aqueous Trehalose Solutions"

Vaccaro L. (2012) "E-factor minimized protocols for the polystyryl-BEMP catalyzed conjugate additions of various nucleophiles to a,b-unsaturated carbonyl compounds"

Elia AC (2012) "Effects of uranium on crayfish Procambarus clarkii mitochondria and antioxidants responses after chronic exposure: What have we learned?"

Lorenzoni M., Pompei L. (2012) "Empirical standard mass equation for Salmo marmoratus Cuvier, 1829"

Pompei L., Lorenzoni M. (2012) "Empirical standard weight equation for Aegean Chub Squalius fellowesii, an endemic freshwater fish species of Western Anatolia"

S. Cavalli (2012) "Exact activation energies and phenomenological description of quantum tunneling for model potential energy surfaces. The F + H2 reaction at low temperature"

N. Balucani, P. Casavecchia (2012) "Experimental and theoretical studies of the O(3P)+C2H4 reaction dynamics: Collision energy dependence of branching ratios and extent of intersystem crossing"

F.Ortica, A.Romani (2012) "First evidence of pep solar neutrinos by direct detection in Borexino"

F.Ortica, A.Romani (2012) "First evidence of pep solar neutrinos by direct detection in Borexino"

Paolo Foggi (2012) "Following Ligand Migration Pathways from Picoseconds to Milliseconds in Type II Truncated Hemoglobin from Thermobifida fusca"

Laura Goracci, Gabriele Cruciani (2012) "GRID-Based Three-Dimensional Pharmacophores I: FLAPpharm, a Novel Approach for Pharmacophore Elucidation"

N. Balucani (2012) "General Discussion"

N. Balucani, A. Lagana (2012) "General Discussion"

Achilli A (2012) "Genetic continuity in the Franco-Cantabrian region: new clues from autochthonous mitogenomes"

Tancini B, Emiliani C. (2012) "Glycohydrolases ß-hexosaminidase and ß-galactosidase are associated with lipid microdomains of Jurkat T-lymphocytes"

Mario Casciola (2012) "High performance sulfonated aromatic ionomers by solvothermal macromolecular synthesis"

F.Ortica, A.Romani (2012) "High precision 7Be solar neutrinos measurement and day night effect obtained with Borexino"

L. Goracci, G. Cruciani (2012) "Human Cytomegalovirus Inhibitor AL18 Also Possesses Activity against Influenza A and B Viruses"

M. Paolantoni, P. Sassi, A. Morresi (2012) "Hydration and Aggregation in Mono- and Disaccharide Aqueous Solutions by Gigahertz-to-Terahertz Light Scattering and Molecular Dynamics Simulations"

P. Belanzoni (2012) "Hydroxylation catalysis by mononuclear and dinuclear iron oxo catalysts: a methane monooxygenase model system versus the Fenton reagent FeIVO(H2O)52+"

Gabriele Cruciani (2012) "Improving the prediction of the brain disposition for orally administered drugs using BDDCS"

Enzo Goretti (2012) "Induction of mouthpart deformities in chironomid larvae exposed to contaminated sediments"

Carosati E., Cruciani G. (2012) "Inhibitor of Ovarian Cancer Cells Growth by Virtual Screening: A New Thiazole Derivative Targeting Human Thymidylate Synthase"

Lorenzoni M. (2012) "Innate immune defence mechanisms of tench, Tinca tinca (L.), naturally infected with the tapeworm Monobothrium wageneri"

N. Balucani, P. Casavecchia (2012) "Intersystem crossing and dynamics in O(3P)+C2H4 multichannel reaction: Experiment validates theory"

Spalletti A. (2012) "Intramolecular charge transfer, solvatochromism and hyperpolarizability of compounds bearing ethenylene or ethynylene bridges"

Gianfranco Bellachioma, Luca Rocchigiani, Cristiano Zuccaccia, Alceo Macchioni (2012) "Iridium-EDTA as an Efficient and Readily Available Catalyst for Water Oxidation"

F. Pirani (2012) "Lifetime and kinetic energy release of metastable dications dissociation"

Gabriele Cruciani, Emanuele Carosati (2012) "Ligand Promiscuity between the Efflux Pumps Human P-Glycoprotein and S. aureus NorA"

Laura Goracci (2012) "Ligand-, structure- and pharmacophore-based molecular fingerprints: a case study on adenosine A1, A2A, A2B, and A3 receptor antagonists"

F.Ortica (2012) "Light and pH tunable luminescence in a photochromic bisdiarylethene"

F.Ortica, A.Romani (2012) "Measurement of CNGS muon neutrino speed with Borexino"

Achilli A (2012) "Mitochondrial DNA signals of late glacial recolonization of Europe from near eastern refugia"

Achilli A, Lancioni H (2012) "Mitochondrial genomes from modern horses reveal the major haplogroups that underwent domestication"

Lancioni H., Achilli A. (2012) "Mitochondrial haplogroup C4c: A rare lineage entering America through the ice-free corridor?"

P. Casavecchia, N. Balucani (2012) "Molecular Reaction Dynamics in Gases, Liquids and Interfaces: General Discussion"

F. Tarantelli (2012) "Multiphoton Ionization as a clock to Reveal Molecular Dynamics with Intense Short X-ray Free Electron Laser Pulses"

Belanzoni P. (2012) "Neutron generation via the mechanism adsorption of pressurized deuterium on an electron deficient titanium matrix. An MD-DFT combined analysis on the mechanism of the Ti-D bond formation"

F. Pirani, F. Tarantelli, D. Cappelletti (2012) "On the role of charge transfer in the stabilization of weakly bound complexes involving water and hydrogen sulphide molecules"

Rocchigiani L., Zuccaccia C., Macchioni A. (2012) "Organometallic Iridium Catalysts Based on Pyridinecarboxylate Ligands for the Oxidative Splitting of Water"

Bucci A (2012) "Organometallic Iridium Catalysts Based on Pyridinecarboxylate Ligands for the Oxidative Splitting of Water"

Achilli A (2012) "Origin and spread of Bos taurus: new clues from mitochondrial genomes belonging to haplogroup T1"

F. Elisei (2012) "Photoprotection and the Photophysics of Acylated Anthocyanins"

A. Marrocchi, L. Vaccaro (2012) "Poly(3-hexylthiophene): synthetic methodologies and properties in bulk heterojunction solar cells"

A. Lombardi, G. Grossi (2012) "Potential energy surfaces for interactions of H 2O with H 2, N 2 and O 2: A hyperspherical harmonics representation, and a minimal model for the H 2O-rare-gas-atom systems"

F.Ortica, A.Romani (2012) "Precision measurement of the 7Be solar neutrino flux and its day-night asymmetry with Borexino"

Lorenzoni M. (2012) "Proliferative cell nuclear antigen (PCNA) expression in the intestine of Salmo trutta trutta naturally infected with an acanthocephalan"

F. Pirani (2012) "Propensities in the solvation of( M+)–Benzene systems (M = Na, K, Rb) investigated by cluster dynamics"

P. L. Gentili (2012) "Pulse-Coupled Chemical Oscillators with Time Delay"

Carosati E (2012) "Pyrazolo[4,3-c][1,2]benzothiazines 5,5-Dioxide: A Promising New Class of Staphylococcus aureus NorA Efflux Pump Inhibitors"

E. Carosati (2012) "QSAR Modeling and Data Mining Link Torsades de Pointes Risk to the Interplay of Extent of Metabolism, Active Transport, and hERG Liability"

Lancioni H, Achilli A (2012) "Rapid coastal spread of First Americans: Novel insights from South America's Southern Cone mitochondrial genomes"

Achilli A (2012) "Rare primary mitochondrial DNA mutations and probable synergistic variants in Leber's hereditary optic neuropathy"

Achilli A, Lancioni H (2012) "Reconstructing ancient mitochondrial DNA links between Africa and Europe"

C. Emiliani (2012) "Roles of the Amino Terminal Region and Repeat Region of the Plasmodium berghei Circumsporozoite Protein in Parasite Infectivity"

R. Ruzziconi (2012) "Rotational Barrier of Biphenyls Having Heavy Heteroatoms as ortho-Substituents: Experimental and Theoretical Determination of Steric Effects."

F.Ortica, A.Romani (2012) "Search for Solar Axions Produced in p(d; 3He)A Reaction with Borexino Detector"

L. Vaccaro, A. MArrocchi (2012) "Semiconducting Arylacetylene:Insulating Polymer Blends for Organic-Based Electronic Devices"

L. Vaccaro, A. Marrocchi (2012) "Semiconducting Polymers via Direct Arylation Polycondensation"

L. Goracci, G. Cruciani (2012) "Small molecule inhibitors of influenza A and B viruses that act by disrupting subunit interactions of the viral polymerase"

Costantino F., Marmottini F. (2012) "Solvent Dependent Synthesis of Micro- and Nano- Crystalline Phosphinate Based 1D Tubular MOF: Structure and CO2 Adsorption Selectivity"

Alceo Macchioni (2012) "Structure/Properties Relationship for Bis(phenoxyamine)Zr(IV)-Based Olefin Polymerization Catalysts: A Simple DFT Model To Predict Catalytic Activity"

C. Zuccaccia, A. Macchioni (2012) "Suppression of ß-Hydride Chain Transfer in Nickel(II)-Catalyzed Ethylene Polymerization via Weak Fluorocarbon Ligand–Product Interactions"

Spalletti A. (2012) "Synthesis, spectral properties and photobehaviour of push-pull distyrylbenzene nitro-derivatives"

Simonetta Cavalli (2012) "The He + H2+ ¿ HeH+ + H reaction: Ab initio studies of the potential energy surface, benchmark time-independent quantum dynamics in an extended energy range and comparison with experiments"

A. Lombardi, G. Grossi (2012) "The astrochemical observatory: Molecules in the laboratory and in the cosmos"

Martino S (2012) "The galactocerebrosidase enzyme contributes to maintain a functional neurogenic niche during early post-natal CNS development. "

A. Lagana', P. Casavecchia, N. Balucani (2012) "The last mile of molecular reaction dynamics virtual experiments: the case of the OH(N=1-10)+CO(j=0-3) reaction"

Latterini L. (2012) "Toward a Stable a-Cycloalkyl Amino Acid with a Photoswitchable Cationic Side Chain"

Paolo Foggi (2012) "Transient infrared spectroscopy: a new approach to investigate valence tautomerism"

S. Cavalli (2012) "Vector correlations in the F + HD reaction"

Vaccaro L. (2012) "b-Nitroacrylates as key starting materials for the one-pot synthesis of densely functionalized penta-substituted anilines"

Sepporta MV (2012) "Antiproliferative and proapoptotic activities of hydroxytyrosol derivates on human promyelocytic leukemia cell lines."