IL PORTALE per la RICERCA dei DIPARTIMENTI

Di Pisa Flavio, Pozzi Cecilia, Mangani Stefano (2013) "2'-Deoxyuridine 5'-monophosphate substrate displacement in thymidylate synthase through 6-hydroxy-2H-naphtho[1,8-bc]furan-2-one derivatives"

Di Pisa F (2013) "2'-deoxyuridine-5'-monophosphate substrate displacement in thymidylate synthase through 6-hydroxy-2H-naphtho[1,8-bc]furan-2-one derivatives"

Simone Brogi, Andrea Tafi (2013) "3D-QSAR using pharmacophore-based alignment and virtual screening for discovery of novel MCF-7 cell line inhibitors"

Basosi R., Baratto M.C. (2013) "A spectroscopic characterization of a phenolic natural mediator in the laccase biocatalytic reaction"

Baratto M. C., Basosi R. (2013) "A Mn(II)-Mn(II) center in human prolidase"

Tintori C, Botta M. (2013) "A combination strategy to inhibit Pim-1: synergism between noncompetitive and ATP-competitive inhibitors"

Stefania Butini, Margherita Brindisi, Simone Brogi, Giuseppe Campiani, Andrea Cappelli, Sandra Gemma (2013) "A stereoselective approach to peptidomimetic BACE1 inhibitors"

Margherita Brindisi, Sandra Gemma, Giuseppe Campiani, Stefania Butini (2013) "A stereoselective route to 6-substituted pyrrolo-1,5-benzoxazepinones and their analogues"

Sandra Gemma, Margherita Brindisi, Giuseppe Campiani, Stefania Butini (2013) "A synthetic strategy to bridged 2,3,8-trioxabicyclo[3,3,1]nonane endoperoxides"

Andrea Cappelli, Maurizio Anzini (2013) "ANTIPROLIFERATIVE EFFECT OF TWO NOVEL COX-2 INHIBITORS ON HUMAN KERATINOCYTES"

Antonella Brizzi (2013) "Active manganese dioxide promoted cyclization of ortho-(1H-pyrrol-1-yl)aryl and heteroaryl carboxylic acids to 5H-pyrrolo[1,2-a][3,1]benzoxazin-5-one derivatives"

Botta M (2013) "Allosteric inhibitors of Bcr-Abl: towards novel myristate-pocket binders."

Brai A, Botta M. (2013) "An alternative synthetic approach for the synthesis of biologically relevant 1,4-disubstituted pyrazolo[3,4-d]pyrimidines"

Fabrizi de Biani Fabrizia (2013) "An efficient oxidative desulfurization process using terbium-polyoxometalate@MIL-101(Cr)"

Taddei M., Sinicropi A., Parisi M., Fabrizi De Biani F., Basosi R. (2013) "An unusual thiazolo[5,4-d]thiazole sensitizer for dye-sensitized solar cells"

Millucci L, Ghezzi L, Geminiani M, Braconi D, Santucci A (2013) "Antioxidants inhibit SAA formation and pro-inflammatory cytokine release in a human cell model of alkaptonuria."

Viglia S (2013) "Assessing the Environmental Performance and Sustainability of National Agricultural Systems"

Massimo Olivucci (2013) "Assessment of Density Functional Theory for Describing the Correlation Effects on the Ground and Excited State Potential Energy Surfaces of a Retinal Chromophore Model"

Fabrizi de Biani F., Basosi R., Parisi M.L., Taddei M. (2013) "Assessment of new gem-silanediols as suitable sensitizers for dye-sensitized solar cells"

Loiselle Steven Arthur (2013) "Assimilation of MODIS Chlorophyll-a Data Into a Coupled Hydrodynamic-Biological Model of Taihu Lake"

Depau L (2013) "Cancer selectivity of tetrabranched neurotensin peptides is generated by simultaneous binding to sulfated glycosaminoglycans and protein receptors."

Massimo Olivucci (2013) "Combined Self-Consistent-Field and Spin-Flip Tamm–Dancoff Density Functional Approach to Potential Energy Surfaces for Photochemistry"

Andrea Cappelli, Marco Paolino, Germano Giuliani, Alessandro Donati, Stefania Lamponi (2013) "Combining Spontaneous Polymerization and Click Reactions for the Synthesis of Polymer Brushes: A “Grafting Onto” Approach"

Tintori C, Botta M (2013) "Computational studies identifying entry inhibitor scaffolds targeting the Phe43 cavity of HIV-1 gp120."

De Ricco R, Valensin D, Gaggelli E, Valensin G. (2013) "Conformation propensities of des-acyl-ghrelin as probed by CD and NMR"

Massimo Olivucci (2013) "Conical Intersection and Potential Energy Surface Features of a Model Retinal Chromophore: Comparison of EOM-CC and Multireference Methods"

Fabrizi de Biani F. (2013) "Cooperative Effects of Electron Donors and Acceptors for the Stabilization of Elusive Metal Cluster Frameworks: Synthesis and Solid-State Structures of [Pt19(CO)24(µ4-AuPPh3)3]-and [Pt19(CO)24{µ4-Au2(PPh3)2}2]"

Camponeschi F, Valensin D, Gaggelli E, Valensin G. (2013) "Copper(I)-?-Synuclein Interaction: Structural Description of Two Independent and Competing Metal Binding Sites"

Pozzi C., Mangani S. (2013) "Crystal structure of the extended-spectrum ß-lactamase BEL-1, in native form and in complex with imipenem and moxalactam."

Marco Paolino, Stefania Lamponi, Andrea Cappelli (2013) "Cyclodextrin-Adamantane Host–Guest Interactions on the Surface of Biocompatible Adamantyl-Modified Glycodendrimers"

Tintori C, Dreassi E, Laurenzana I, Botta M. (2013) "Design, synthesis, and biological evaluation of pyrazolo[3,4-d]pyrimidines active in vivo on the Bcr-Abl T315I mutant"

Parisi M. L., Maranghi S., Sinicropi A., Basosi R. (2013) "Development of Dye Sensitized Solar Cells: a life cycle perspective for the environmental and market potential assessment of a renewable technology"

Deodato D, Botta M (2013) "Discovery and synthesis of novel benzofurazan derivatives as inhibitors of influenza A virus"

Botta M (2013) "Discovery of Mycobacterium tuberculosis protein tyrosine phosphatase B (PtpB) inhibitors from natural products"

Manetti F, Petricci E, Taddei M (2013) "Discovery, Molecular and Pharmacological Characterization of GSA-10, a Novel Small-Molecule Positive Modulator of Smoothened"

Gianluca Giorgi (2013) "Divergent Behavior of the Reactions Between 1,2-Diaza-1,3-dienes and 2,5- Dioxoimidazolidin-4-ylidene-succinates"

Galvagni F (2013) "Dnmt3L Antagonizes DNA Methylation at Bivalent Promoters and Favors DNA Methylation at Gene Bodies in ESCs."

Petricci Elena, Cini Elena (2013) "Domino reactions triggered by hydroformylation."

Bernini C., Olivucci M., Pogni R., Basosi R., Sinicropi A. (2013) "Effects of the Protein Environment on the Spectral Properties of Tryptophan Radicals in Pseudomonas aeruginosa Azurin"

Magnani A. (2013) "Enhanced Vapor-Phase Processing in Fluorinated Fe4 Single-Molecule Magnets"

Spinelli D., Pogni R., Basosi R. (2013) "Environmental and life cycle analysis of a biodiesel production line from sunflower in the Province of Siena (Italy)"

F. Galvagni, Orlandini M (2013) "FOSL1 Controls the Assembly of Endothelial Cells into Capillary Tubes by Direct Repression of  alphav and  beta3 Integrin Transcription"

Pogni R., Baratto M.C., Sinicropi A., Basosi R. (2013) "Formation of a tyrosine adduct involved in lignin degradation by Trametopsis cervina lignin peroxidase: A novel peroxidase activation mechanism"

Maccari G, Botta M (2013) "Free energy profile and kinetics studies of paclitaxel internalization from the outer to the inner wall of microtubules"

Gemma S, Brogi S, Campiani G, Brindisi M, Butini S (2013) "HCV-Targeted Antivirals: Current Status and Future Challenges."

Gaggelli Elena, Valensin Gianni (2013) "High affinity of copper(II) towards amoxicillin, apramycin and ristomycin. Effect of these complexes on the catalytic activity of HDV ribozyme"

Tintori C, Laurenzana I, Botta M. (2013) "Identification of Hck inhibitors as hits for the development of antileukemia and anti-HIV agents."

Stefania Butini, Sandra Gemma, Margherita Brindisi, Giuseppe Campiani (2013) "Identification of a novel arylpiperazine scaffold for fatty acid amide hydrolase inhibition with improved drug disposition properties"

Giorgi G. (2013) "Identifying wine markers in ceramics and plasters with gas chromatography - mass spectrometry. Experimental, ethnoarchaeological and archaeological materials"

Daniele Spinelli, Rebecca Pogni (2013) "Immobilization of fungal (Trametes versicolor) laccase onto Amberlite IR-120 H beads: Optimization and characterization"

Fabrizio Manetti, Maurizio Botta (2013) "Improved BM212 MmpL3 Inhibitor Analogue Shows Efficacy in Acute Murine Model of Tuberculosis Infection"

Botta M (2013) "Inhibition of Leishmania infantum trypanothione reductase by azole-based compounds: a comparative analysis with its physiological substrate by X-ray crystallography."

Giorgi G. (2013) "Insights into diastereoisomeric characterization of tetrahydropyridazine amino acid derivatives: crystal structures and gas phase ion chemistry"

Massimo Olivucci (2013) "Inverse versus Normal Dithienylethenes: Computational Investigation of the Photocyclization Reaction"

Stefania Fusi, Massimo Olivucci (2013) "Isomer-dependent vibrational coherence in ultrafast photoisomerization"

Trabalzini Lorenza (2013) "KRIT1 loss of function causes a ROS-dependent upregulation of c-Jun"

Parisi M, Basosi R. (2013) "LCA come strumento di previsione per l'ottimizzazione di tecnologie fotovoltaiche innovative"

Basosi R. (2013) "Life cycle assessment of micro-wind generators"

Federico Melaccio, Massimo Olivucci (2013) "Mapping the excited state potential energy surface of a retinal chromophore model with multireference and EOM-CC methods"

Fabrizi de biani Fabrizia (2013) "Metal Segregation in Bimetallic Co¿Pd Carbide Carbonyl Clusters: Synthesis, Structure, Reactivity and Electrochemistry of [H6-nCo20Pd16C4(CO)48]n-(n=3-6)"

Stefania Butini, Margherita Brindisi, Simone Brogi, Giuseppe Campiani, Sandra Gemma (2013) "Multifunctional Cholinesterase and Amyloid Beta Fibrillization Modulators. Synthesis and Biological Investigation"

Gianluca Giorgi (2013) "Multiple Site-Selective Insertions of Noncanonical Amino Acids into Sequence-Repetitive Polypeptides"

Mugnaini C., Brizzi A., Corelli F. (2013) "New fluoroquinolones active against fluoroquinolones-resistant Mycobacterium tuberculosis strains."

A. Atrei (2013) "Non-destructive characterisation of fourteenth century painting by means of molecular spectroscopy and unilateral NMR"

Maurizio Anzini, Simone Brogi, Germano Giuliani, Andrea Cappelli, Alessandro Sega, Gianluca Giorgi (2013) "Novel Analgesic/Anti-inflammatory Agents: 1,5- Diarylpyrrole Nitrooxyalkyl Ethers and Related Compounds as Cyclooxygenase-2 Inhibiting Nitric Oxide Donors"

Botta M (2013) "Novel Macrocyclic Amidinoureas: Potent Non-Azole Antifungals Active against Wild-Type and Resistant Candida Species."

Stefania Butini, Margherita Brindisi, Giuseppe Campiani, Sandra Gemma (2013) "Novel peptidomimetics as BACE-1 inhibitors: synthesis, molecular modeling, and biological studies"

Travagli V. (2013) "OZONATED OILS AS FUNCTIONAL DERMATOLOGICAL MATRICES: EFFECTS ON THE WOUND HEALING PROCESS USING SKH1 MICE"

Taddei M., Sinicropi A., Parisi M. L., Fabrizi de Biani F., Basosi R. (2013) "Organic chromophores based on a fused Bis-Thiazole core and their application in Dye-Sensitized Solar Cells"

Stefania Butini, Sandra Gemma, Giuseppe Campiani (2013) "PBOX-15 induces apoptosis and improves the efficacy of oxaliplatin in human colorectal cancer cell lines"

Taddei Maurizio (2013) "Palladium-Catalysed Dehydrogenative Generation of Imines from Amines. A Nature-Inspired Route to Indoles via Cross-Couplings of Amines with Arylhydrazines"

Manetti F (2013) "Pharmacophore Assessment Through 3-D QSAR: Evaluation of the Predictive Ability on New Derivatives by the Application on a Series of Antitubercular Agents"

Loiselle Steven Arthur (2013) "Planktonic community metabolism in two stratified Mediterranean reservoirs with different trophic status"

Loiselle Steven Arthur (2013) "Potential effects of climate change on the water level, flora and macro-fauna of a large neotropical wetland"

Baratto M. C., Basosi R. (2013) "Prediction model based on decision tree analysis for laccase mediators"

Spiga O, Niccolai N (2013) "ProCoCoA: A quantitative approach for analyzing protein core composition."

Massimo Olivucci (2013) "Probing Vibrationally Mediated Ultrafast Excited-State Reaction Dynamics with Multireference (CASPT2) Trajectories"

Tintori C, Botta M (2013) "Probing the binding site of abl tyrosine kinase using in situ click chemistry"

Spiga O, Niccolai N (2013) "Probing the protein space for extending the detection of weak homology folds."

Cini E (2013) "Process development of generic Aliskiren"

Dreassi E, Botta M (2013) "Pyrazolo[3,4-d]pyrimidine Prodrugs: Strategic Optimization of the Aqueous Solubility of Dual Src/Abl Inhibitors"

Dreassi E., Corbini G. (2013) "Quantification of psychosine in the serum of twitcher mouse by LC-ESI-tandem-MS analysis"

Braconi D, Millucci L, Ghezzi L, Santucci A (2013) "Redox proteomics gives insights into the role of oxidative stress in alkaptonuria."

Loiselle Steven Arthur (2013) "Remote determination of chromophoric dissolved organic matter in lakes, China"

Spiga O (2013) "Revealing the complexity of a monogenic disease: rett syndrome exome sequencing."

Elena Cini, Maurizio Taddei (2013) "Rhodium-Catalyzed Enantioselective Hydrogenation of (E)-Enol Acetate Acids"

Galvagni F, Orlandini M (2013) "Role of the AP-1 transcription factor FOSL1 in endothelial cells adhesion and migration."

Fabrizi de Biani Fabrizia (2013) "Selective synthesis of the [Ni36Co8C8(CO)48]6- octa-carbide carbonyl cluster by thermal decomposition of the [H2Ni22Co6C6(CO)36]4- hexa-carbide"

Stefania Fusi (2013) "Self sensitized photooxidation of tetrathienyltetrathiafulvalenes: synthesis of thienyl substituted 1,2,5,8-tetrathiecine-6,7-dione, a new heterocyclic system "

Loiselle S.A. (2013) "Short-term dynamics of physico-chemical and biological features in a shallow, evaporative antarctic lake"

Maurizio Botta (2013) "Small molecules modulation of 14-3-3 protein–protein interactions"

Valensin Daniela (2013) "Specific metal ion binding sites in unstructured regions of proteins"

Gemma Leone, Stefania Lamponi, Agnese Magnani (2013) "States of water, surface and rheological characterisation of a new biohydrogel as articular cartilage substitute"

Andrea Tafi (2013) "Stereochemical Preference of 2'-Deoxycytidine for Chiral Bis(diamido)-bridged Basket Resorcin[4]arenes"

Andrea Tafi (2013) "Stereoretentive Chlorination of Cyclic Alcohols Catalyzed by Titanium(IV) Tetrachloride: Evidence for a Front Side Attack Mechanism"

S. Mangani (2013) "Structural Insight into Potent Broad-Spectrum Inhibition with Reversible Recyclization Mechanism: Avibactam in Complex with CTX-M-15 and Pseudomonas aeruginosa AmpC  -Lactamases"

Manetti F., Botta M. (2013) "Structure Prediction and Validation of the ERK8 Kinase Domain"

Mugnaini C., Lamponi S., Corelli F. (2013) "Synthesis and pharmacological characterization of 2-(acylamino)thiophene derivatives as metabolically stable, orally effective, positive allosteric modulators of the GABAB receptor"

Andrea Cappelli, Germano Giuliani, Maurizio Anzini, Simone Brogi, Stefania Butini, Sandra Gemma, Giuseppe Campiani, Gianluca Giorgi (2013) "Synthesis and structure–activity relationship studies in serotonin 5-HT1A receptor agonists based on fused pyrrolidone scaffolds"

Giorgi G. (2013) "Synthesis of Tetrahydropyridazine Amino Acid Derivatives by a Formal [4+2] Cycloaddition Reaction of 1,2-Diaza-1,3-dienes with Dehydroalanine Esters"

Maurizio Taddei, Elena Cini (2013) "Synthetic Applications of 2-(Azidomethyl)allyltrimethylsilane"

D'Antongiovanni V (2013) "The activation of mitochondrial BK potassium channels contributes to the protective effects of naringenin against myocardial ischemia/reperfusion injury."

Rebecca Pogni (2013) "The defensin–lipid interaction: Insights on the binding states of the human antimicrobial peptide HNP-1 to model bacterial membranes"

Valensin Daniela, Camponeschi Francesca (2013) "The extracellular loop of IRT1 ZIP protein--the chosen one for zinc?"

Campiani G (2013) "The microtubule targeting agent PBOX-15 inhibits integrin-mediated cell adhesion and induces apoptosis in acute lymphoblastic leukaemia cells"

Anzini M, Cappelli A (2013) "The novel anti-inflammatory agent VA694, endowed with both NO-releasing and COX2-selective inhibiting properties, exhibits NO-mediated positive effects on blood pressure, coronary flow and endothelium in an experimental model of hypertension and endothelial dysfunction"

Travagli V. (2013) "The orthodox therapy of cardiovascular diseases integrated by ozone-therapy is able to normalize the redox system"

Butini S, Brogi S, Campiani G, Brindisi M, Gemma S (2013) "The structural evolution of ß-secretase inhibitors: a focus on the development of small-molecule inhibitors."

Valensin D, Valensin G (2013) "The unusual stabilization of the Ni(2+) and Cu(2+) complexes with NSFRY"

Trabalzini L (2013) "The yeast two-hybrid and related methods as powerful tools to study plant cell signalling"

Valensin Daniela (2013) "The zinc-binding fragment of HypA from Helicobacter pylori: a tempting site also for nickel ions"

M. Andreassi (2013) "Topical pimecrolimus in the treatment of genital lichen Sclerosu"

Massimo Olivucci (2013) "Toward an Understanding of the Retinal Chromophore in Rhodopsin Mimics"

Giorgi G. (2013) "Uncommon 1,2-Migration of a Nitro Group Within a ß-Nitrostyryl Moiety: Synthetic Scope and Mechanistic Details"

Tafi A, Botta M (2013) "Unconventional Plasticity of HIV-1 Reverse Transcriptase: How Inhibitors Could Open a Connection "Gate" between Allosteric and Catalytic Sites."

Fabrizi de Biani Fabrizia (2013) "Unprecedented tris-phosphido-bridged triangular clusters with 42 valence electrons. Chemical, electrochemical and computational studies of their formation and stability"

Maurizio Taddei (2013) "Use of Primary Amines for the Selective N-Alkylation of Anilines by a Reusable Heterogeneous Catalyst"

Claudia Bonechi, Claudio Rossi (2013) "Water-Protein Interactions the Secret of Protein Flexibility"

Travagli V. (2013) "What Is the Best Strategy for Enhancing the Effects of Topically Applied Ozonated Oils in Cutaneous Infections?"

D'Antongiovanni V (2013) "• Dysregulation of PAR1 expression and signaling in a mesothelioma cell line, NCI-H28, with homozygous deletion of the ß-catenin gene."

Gambassi S (2013) "Selective allosteric modulation of the 5-HT3A receptor by halogenated indole derivates"