0000000000519036

AUTHOR

Tarita Biver

0000-0001-8512-8422

showing 7 related works from this author

Combined spectroscopic and theoretical analysis of the binding of a water-soluble perylene diimide to DNA/RNA polynucleotides and G-quadruplexes.

2021

We present here a combined spectroscopic and theoretical analysis of the binding of N,N’-bis(2-(1-piperazino)ethyl)-3,4,9,10-perylenetetracarboxylic acid diimide dichloride (PZPERY) to different biosubstrates. Absorbance titrations and circular dichroism experiments, melting studies and isothermal calorimetry (ITC) titrations reveal a picture where the binding to natural double-stranded DNA is very different from that to double and triple-stranded RNAs (poly(A)∙poly(U) and poly(U)∙poly(A)⁎poly(U)). As confirmed also by the structural and energetic details clarified by density functional theory (DFT) calculations, intercalation occurs for DNA, with a process driven by the combination of aggr…

Circular dichroismIntercalation (chemistry)PolynucleotidesSupramolecular chemistryMolecular dynamicsG-quadruplexChemistry Physical and theoreticalAnalytical ChemistryAggregationchemistry.chemical_compoundDiimideQuímica físicaIntercalationHumansInstrumentationPeryleneSpectroscopyAggregation; Density functional theory; Intercalation; Molecular dynamics; Sitting atop; Circular Dichroism; DNA; Humans; Polynucleotides; RNA; Water; G-Quadruplexes; PeryleneCircular DichroismWaterIsothermal titration calorimetryDNAAtomic and Molecular Physics and OpticsSitting atopG-QuadruplexesCrystallographychemistrySettore CHIM/03 - Chimica Generale E InorganicaPolynucleotideDensity functional theoryRNAPeryleneSpectrochimica acta. Part A, Molecular and biomolecular spectroscopy
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Quantitative Analysis of the Interactions of Metal Complexes and Amphiphilic Systems: Calorimetric, Spectroscopic and Theoretical Aspects.

2022

Metals and metal-based compounds have many implications in biological systems. They are involved in cellular functions, employed in the formation of metal-based drugs and present as pollutants in aqueous systems, with toxic effects for living organisms. Amphiphilic molecules also play important roles in the above bio-related fields as models of membranes, nanocarriers for drug delivery and bioremediating agents. Despite the interest in complex systems involving both metal species and surfactant aggregates, there is still insufficient knowledge regarding the quantitative aspects at the basis of their binding interactions, which are crucial for extensive comprehension of their behavior in sol…

Molecular dynamics simulationsSpeciationCalorimetryBiochemistryBiological membraneAmphiphilic systemsKineticsMetal complexesSpectrophotometrySettore CHIM/03 - Chimica Generale E InorganicaCoordination ComplexesMetalsSolution thermodynamicsDensity functional theory calculationsDrug deliveryIsothermal titration calorimetryThermodynamicsMolecular Biologymetal complexes; amphiphilic systems; drug delivery; biological membrane; solution thermodynamics; speciation; isothermal titration calorimetry; spectrophotometry; molecular dynamics simulations; density functional theory calculationsBiomolecules
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124I Radiolabeling of a AuIII‐NHC Complex for In Vivo Biodistribution Studies†

2020

Abstract AuIII complexes with N‐heterocyclic carbene (NHC) ligands have shown remarkable potential as anticancer agents, yet their fate in vivo has not been thoroughly examined and understood. Reported herein is the synthesis of new AuIII‐NHC complexes by direct oxidation with radioactive [124I]I2 as a valuable strategy to monitor the in vivo biodistribution of this class of compounds using positron emission tomography (PET). While in vitro analyses provide direct evidence for the importance of AuIII‐to‐AuI reduction to achieve full anticancer activity, in vivo studies reveal that a fraction of the AuIII‐NHC prodrug is not immediately reduced after administration but able to reach the major…

Imaging Agents | Hot Paperpositron emission tomography010405 organic chemistryChemistryGeneral ChemistryProdrug010402 general chemistryanticancer01 natural sciencesCombinatorial chemistryCatalysisIn vitro3. Good health0104 chemical sciencesIn vivoIn vivo biodistributionSettore CHIM/03 - Chimica Generale E InorganicametallodrugsN-heterocyclic carbenesanticancer; metallodrugs; N-heterocyclic carbenes; positron emission tomography; radiochemistryradiochemistryResearch ArticlesResearch ArticleAngewandte Chemie (International Ed. in English)
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A Theoretical and Experimental Investigation of the Spectroscopic Properties of a DNA-Intercalator Salphen-Type ZnIIComplex

2014

The photophysical and DNA-binding properties of the cationic zinc(II) complex of 5-triethylammonium methyl salicylidene ortho-phenylenediiminato (ZnL 2 + ) were investi- gated by a combination of experimental and theoretical methods. DFT calculations were performed on both the ground and the first excited states of ZnL 2 + and on its possi- ble mono- and dioxidation products, both in vacuo and in selected solvents mimicked by the polarizable continuum model. Comparison of the calculated absorption and fluores- cence transitions with the corresponding experimental data led to the conclusion that visible light induces a two-elec- tron photooxidation process located on the phenylenediimi- nato…

spectroscopyNO ligandStereochemistryIntercalation (chemistry)Ionic bondingmetal complex Fluorescence spectroscopy DNA recognition metal complexes organometallics complex formation DNA binding drugs fluorescence spectroscopy equilibrium constants reaction mechanisms nucleic acids affinity binding mode thermodynamics speciationmetal complexesbinding modePhenylenediaminesPolarizable continuum modelCatalysisdrugsmetal complexthermodynamicsintercalationcomplex formationOrganometallic CompoundsA-DNADNA bindingFluorescence spectroscopyDNA recognitionphotochemistryLigandChemistrySpectrum AnalysisphotooxidationOrganic ChemistryCationic polymerizationequilibrium constantsGeneral Chemistrydensity functional calculationFluorescenceZincCrystallographyreaction mechanismsnucleic acidsspeciationSettore CHIM/03 - Chimica Generale E InorganicaExcited stateaffinityfluorescenceorganometallics
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Studies on DNA interaction of organotin(IV) complexes of meso-tetra(4-sulfonatophenyl)porphine that show cellular activity.

2016

PubMedID: 27393277 The interaction of the diorgano- and triorganotin(IV) derivatives of meso-tetra-(4-sulfonatophenyl)porphine (Me2Sn)2TPPS, (Bu2Sn)2TPPS, (Me3Sn)4TPPS and (Bu3Sn)4TPPS to natural DNA was analysed (together with free meso-tetra-(4-sulfonatophenyl)porphine (TPPS4 -) for comparison purposes). Particular attention was paid to (Bu3Sn)4TPPS, a species that shows significant cellular action. Preliminary tests were done on the solution properties of the organotin(IV) compounds (pKA and possible self-aggregation). Spectrophotometric and spectrofluorometric experiments showed that all the investigated organotin(IV) derivatives strongly interact with DNA, the binding energy depending …

Steric effectsCellular activityOrganometallic compounds External binding Negative porphyrins Aggregation ViscosityNegative porphyrinsPorphyrinsStereochemistryBinding energyDna interactionOrganometallic compounds010402 general chemistry01 natural sciencesMedicinal chemistryBiochemistryInorganic Chemistrychemistry.chemical_compoundAggregationmetal complexequilibrium constantDNA conformation changescomplex formationOrganotin CompoundsHumansDNA bindingEquilibrium constantGroup 2 organometallic chemistrybiology010405 organic chemistryViscosityDNAbiology.organism_classificationExternal binding0104 chemical sciencesAggregation External binding Negative porphyrins Organometallic compounds Viscosity Biochemistry Inorganic Chemistry metal complex equilibrium constant DNA conformation changes DNA binding complex formationchemistrySettore CHIM/03 - Chimica Generale E InorganicaA549 CellsTetraNucleic Acid ConformationDNAJournal of inorganic biochemistry
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CCDC 1989307: Experimental Crystal Structure Determination

2021

Related Article: Federica Guarra, Alessio Terenzi, Christine Pirker, Rossana Passannante, Dina Baier, Ennio Zangrando, Vanessa G��mez���Vallejo, Tarita Biver, Chiara Gabbiani, Walter Berger, Jordi Llop, Luca Salassa|2020|Angew.Chem.,Int.Ed.|59|17130|doi:10.1002/anie.202008046

Space GroupCrystallographyCrystal SystemCrystal Structure(1-butyl-3-methyl-23-dihydro-1H-imidazol-2-yl)-(chloro)-diiodo-gold(iii)Cell ParametersExperimental 3D Coordinates
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CCDC 1989306: Experimental Crystal Structure Determination

2021

Related Article: Federica Guarra, Alessio Terenzi, Christine Pirker, Rossana Passannante, Dina Baier, Ennio Zangrando, Vanessa G��mez���Vallejo, Tarita Biver, Chiara Gabbiani, Walter Berger, Jordi Llop, Luca Salassa|2020|Angew.Chem.,Int.Ed.|59|17130|doi:10.1002/anie.202008046

Space GroupCrystallographyCrystal Systembis(1-butyl-3-methyl-23-dihydro-1H-imidazol-2-ylidene)-(diiodo)-gold(iii) hexafluorophosphateCrystal StructureCell ParametersExperimental 3D Coordinates
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