All Stories

  1. AGAPE (Computational G-Quadruplex Stabilization Prediction): The First Machine Learning Workflow for G-Quadruplex Stabilization Prediction

    Article • ACS Omega, May 2026, American Chemical Society (ACS)

    Professor Giampaolo Barone

  2. Synthesis and binding studies of two new coumarin-squaramide-based receptors for NSAIDs

    Article • RSC Advances, January 2026, Royal Society of Chemistry

    Professor Giampaolo Barone, Luca Prodi

  3. A reduced NiGraf metal organic alloy in the hydrogenation of nitrobenzene to aniline: a computational analysis

    Article • Nanoscale, January 2026, Royal Society of Chemistry

    Professor Giampaolo Barone

  4. In medio stat virtus : asymmetric Salphen metal complexes with improved biological properties

    Article • Dalton Transactions, January 2026, Royal Society of Chemistry

    Professor Giampaolo Barone

  5. Machine learning Accelerated Design of Metallosalen Homogeneous Catalysts for CO₂ Capture and Conversion

    Article • January 2026, Elsevier

    Professor Giampaolo Barone

  6. Novel ruthenium( ii ) complexes bearing polypyridyl and 1,2,4-oxadiazole ligands: from synthesis to in vitro and in vivo ...

    Article • Dalton Transactions, January 2026, Royal Society of Chemistry

    Professor Giampaolo Barone

  7. Improving the Photodynamic Activity of Metallochlorins by Combined Computational Design and Experimental Validation

    Article • January 2026, Elsevier

    Professor Giampaolo Barone

  8. Improving the Photodynamic Activity of Metallochlorins by Combined Computational Design and Experimental Validation

    Article • January 2026, Elsevier

    Professor Giampaolo Barone

  9. New Conjugatable Platinum(II) Chlorins: Synthesis, Reactivity and Singlet Oxygen Generation

    Article • Molecules, June 2025, MDPI AG

    Professor Giampaolo Barone

  10. DNA Binding Activity of Functionalized Schiff Base Metal Complexes

    Article • European Journal of Inorganic Chemistry, February 2025, Wiley

    Professor Giampaolo Barone

  11. Bioactive Molecules from the Invasive Blue Crab Callinectes sapidus Exoskeleton: Evaluation of Reducing, Radical Scavenging, and Antitumor Activities

    Article • Marine Drugs, January 2025, MDPI AG

    Professor Giampaolo Barone

  12. Sulphur-containing pyrrolidine-fused chlorins as potential candidates for photodynamic therapy: experimental and theoretical photophysical evaluation

    Article • Organic & Biomolecular Chemistry, January 2025, Royal Society of Chemistry

    Professor Giampaolo Barone

  13. Advances in CO2 capture and utilization: the role of DFT in understanding CO2 activation and its conversion mechanisms for methanol and cyclic carbonates production

    Article • Catalysis Science & Technology, January 2025, Royal Society of Chemistry

    Professor Giampaolo Barone

  14. Bioactive Molecules from the Exoskeleton of Procambarus clarkii: Reducing Capacity, Radical Scavenger, and Antitumor and Anti-Inflammatory Activities

    Article • Biomolecules, December 2024, MDPI AG

    Professor Giampaolo Barone

  15. AGAPE (computAtional G-quadruplex Affinitiy PrEdiction): The first Artificial Intelligence workflow for G-quadruplex binding affinity prediction

    Article • November 2024, Cold Spring Harbor Laboratory Press

    Professor Giampaolo Barone

  16. Resolving the Structure of a Guanine Quadruplex in TMPRSS2 Messenger RNA by Circular Dichroism and Molecular Modeling

    Article • Chemistry - A European Journal, November 2024, Wiley

    Professor Giampaolo Barone

  17. In Silico Design of a Solution-Gated Graphene Transistor Sensor for the Efficient Detection of Guanine Quadruplexes

    Article • The Journal of Physical Chemistry Letters, October 2024, American Chemical Society (ACS)

    Professor Giampaolo Barone

  18. Synergistic Anticancer Effects by Enhancing the G-Quadruplex Binding of Nickel(II) Salphen Complexes through Coupling with S-Doped Carbon Nanodots

    Article • ACS Applied Materials & Interfaces, October 2024, American Chemical Society (ACS)

    Professor Giampaolo Barone

  19. Vanadium Toxicity Is Altered by Global Warming Conditions in Sea Urchin Embryos: Metal Bioaccumulation, Cell Stress Response and Apoptosis

    Article • Journal of Xenobiotics, August 2024, MDPI AG

    Professor Giampaolo Barone

  20. Alloxazine-Based Ligands and Their Ruthenium Complexes as NADH Oxidation Catalysts and G4 Binders

    Article • Inorganic Chemistry, August 2024, American Chemical Society (ACS)

    Professor Giampaolo Barone

  21. Resolving the Structure of a Guanine Quadruplex in TMPRSS2 Messenger RNA by Circular Dichroism and Molecular Modeling

    Article • July 2024, Cold Spring Harbor Laboratory Press

    Professor Giampaolo Barone

  22. GrafeoPlad Palladium: Insight on Structure and Activity of a New Catalyst Series of Broad Scope

    Article • Advanced Sustainable Systems, March 2024, Wiley

    Professor Giampaolo Barone

  23. Photoactivatable Ruthenium Complexes Containing Minimal Straining Benzothiazolyl-1,2,3-triazole Chelators for Cancer Treatment

    Article • Inorganic Chemistry, February 2024, American Chemical Society (ACS)

    Professor María Dolores Santana, Professor Giampaolo Barone

  24. Novel half Salphen cobalt(III) complexes: synthesis, DNA binding and anticancer studies

    Article • Dalton Transactions, January 2024, Royal Society of Chemistry

    PhD Roberto Di Gesu', Professor Giampaolo Barone

  25. Investigating the anticancer potential of 4-phenylthiazole derived Ru(ii) and Os(ii) metalacycles

    Article • Dalton Transactions, January 2024, Royal Society of Chemistry

    Professor Giampaolo Barone

  26. How the Metal Ion Affects the 1H NMR Chemical Shift Values of Schiff Base Metal Complexes: Rationalization by DFT Calculations

    Article • The Journal of Physical Chemistry A, October 2023, American Chemical Society (ACS)

    Professor Giampaolo Barone

  27. A family of kojic acid derivatives aimed to remediation of Pb2+ and Cd2+

    Article • Ecotoxicology and Environmental Safety, October 2023, Elsevier

    Prof Massimiliano F PEANA, Professor Giampaolo Barone, Professor Guido Crisponi

  28. Mechanism of the Covalent Inhibition of Human Transmembrane Protease Serine 2 as an Original Antiviral Strategy

    Article • The Journal of Physical Chemistry, July 2023, American Chemical Society (ACS)

    Professor Giampaolo Barone

  29. Predicting the Three-Dimensional Structure of the c-KIT Proto-Oncogene Promoter and the Dynamics of Its Strongly Coupled Guanine Quadruplexes

    Article • The Journal of Physical Chemistry Letters, May 2023, American Chemical Society (ACS)

    Professor Giampaolo Barone

  30. Mechanism of the Covalent Inhibition of Human Transmembrane Protease Serine 2 as an Original Antiviral Strategy

    Article • April 2023, Cold Spring Harbor Laboratory Press

    Professor Giampaolo Barone

  31. Resolving a Guanine-Quadruplex Structure in the SARS-CoV-2 Genome through Circular Dichroism and Multiscale Molecular Modeling

    Article • April 2023, Cold Spring Harbor Laboratory Press

    Professor Giampaolo Barone

  32. Predicting the Three-dimensional Structure of the c-KITOncogene Promoter and the Dynamics of Strongly Coupled Guanine-Quadruplexes

    Article • February 2023, Cold Spring Harbor Laboratory Press

    Professor Giampaolo Barone

  33. Understanding the Interactions of Guanine Quadruplexes with Peptides as Novel Strategies for Diagnosis or Tuning Biological Functions

    Article • ChemBioChem, February 2023, Wiley

    Professor Giampaolo Barone

  34. Salphen metal complexes as potential anticancer agents: interaction profile and selectivity studies toward the three G-quadruplex units in the KIT promoter

    Article • Dalton Transactions, January 2023, Royal Society of Chemistry

    Antonio Palumbo Piccionello, Professor Giampaolo Barone

  35. A novel 2,6-bis(benzoxazolyl)phenol macrocyclic chemosensor with enhanced fluorophore properties by photoinduced intramolecular proton transfer

    Article • Dalton Transactions, January 2023, Royal Society of Chemistry

    Professor Giampaolo Barone

  36. Resolving a guanine-quadruplex structure in the SARS-CoV-2 genome through circular dichroism and multiscale molecular modeling

    Article • Chemical Science, January 2023, Royal Society of Chemistry

    Professor Giampaolo Barone

  37. A Novel Peptide with Antifungal Activity from Red Swamp Crayfish Procambarus clarkii

    Article • Antibiotics, December 2022, MDPI AG

    Dr. Maria Vitale, Professor Giampaolo Barone

  38. Ag5 nanoclusters with dual catalytic antiradical activities

    Article • Journal of Colloid and Interface Science, December 2022, Elsevier

    Professor Giampaolo Barone

  39. G-quadruplex recognition by DARPIns through epitope/paratope analogy

    Article • June 2022, Cold Spring Harbor Laboratory Press

    Professor Giampaolo Barone

  40. Specific Recognition of the 5′-Untranslated Region of West Nile Virus Genome by Human Innate Immune System

    Article • Viruses, June 2022, MDPI AG

    Professor Giampaolo Barone

  41. How Fragile We Are: Influence of Stimulator of Interferon Genes (STING) Variants on Pathogen Recognition and Immune Response Efficiency

    Article • Journal of Chemical Information and Modeling, June 2022, American Chemical Society (ACS)

    Professor Giampaolo Barone

  42. Never Cared for What They Do: High Structural Stability of Guanine-Quadruplexes in the Presence of Strand-Break Damage

    Article • Molecules, May 2022, MDPI AG

    Professor Giampaolo Barone

  43. Chitosan Film Functionalized with Grape Seed Oil—Preliminary Evaluation of Antimicrobial Activity

    Article • Sustainability, April 2022, MDPI AG

    Professor Giampaolo Barone

  44. Quantitative Analysis of the Interactions of Metal Complexes and Amphiphilic Systems: Calorimetric, Spectroscopic and Theoretical Aspects

    Article • Biomolecules, March 2022, MDPI AG

    Professor Giampaolo Barone

  45. B‐DNA Structure and Stability: The Role of Nucleotide Composition and Order

    Article • ChemistryOpen, February 2022, Wiley

    Professor Matthias Bickelhaupt, Professor Giampaolo Barone

  46. Front Cover: B‐DNA Structure and Stability: The Role of Nucleotide Composition and Order (ChemistryOpen 2/2022)

    Article • ChemistryOpen, February 2022, Wiley

    Professor Matthias Bickelhaupt, Professor Giampaolo Barone

  47. B‐DNA Structure and Stability: The Role of Nucleotide Composition and Order

    Article • ChemistryOpen, January 2022, Wiley

    Professor Matthias Bickelhaupt, Professor Giampaolo Barone

  48. Structure of the 5′ untranslated region in SARS-CoV-2 genome and its specific recognition by innate immune systemviathe human oligoadenylate synthase 1

    Article • Chemical Communications, January 2022, Royal Society of Chemistry

    Professor Giampaolo Barone

  49. Structure of the 5’ untranslated region in SARS-CoV-2 genome and its specific recognition by innate immune system via the human oligoadenylate synthase 1†

    Article • December 2021, Cold Spring Harbor Laboratory Press

    Professor Giampaolo Barone

  50. Never cared for what they do. High structural stability of Guanine-quadruplexes in presence of strand-break damages

    Article • December 2021, Cold Spring Harbor Laboratory Press

    Professor Giampaolo Barone

  51. Structure and Dynamics of RNA Guanine Quadruplexes in SARS-CoV-2 Genome. Original Strategies against Emerging Viruses

    Article • The Journal of Physical Chemistry Letters, October 2021, American Chemical Society (ACS)

    Professor Giampaolo Barone

  52. C−C Cross‐Couplings from a Cyclometalated Au(III) CN Complex: Mechanistic Insights and Synthetic Developments

    Article • Chemistry - A European Journal, August 2021, Wiley

    Professor Giampaolo Barone

  53. Antiproliferative Properties and G-Quadruplex-Binding of Symmetrical Naphtho[1,2-b:8,7-b’]dithiophene Derivatives

    Article • Molecules, July 2021, MDPI AG

    Professor Giampaolo Barone

  54. Structure and dynamics of RNA guanine quadruplexes in SARS-CoV-2 genome. Original strategies against emerging viruses

    Article • May 2021, Cold Spring Harbor Laboratory Press

    Professor Giampaolo Barone

  55. Forever Young: Structural Stability of Telomeric Guanine Quadruplexes in the Presence of Oxidative DNA Lesions**

    Article • Chemistry - A European Journal, May 2021, Wiley

    Professor Giampaolo Barone

  56. On the G‐Quadruplex Binding of a New Class of Nickel(II), Copper(II), and Zinc(II) Salphen‐Like Complexes

    Article • European Journal of Inorganic Chemistry, March 2021, Wiley

    Professor Giampaolo Barone

  57. Organoplatinum(II) Complexes Self-Assemble and Recognize AT-Rich Duplex DNA Sequences

    Article • Inorganic Chemistry, January 2021, American Chemical Society (ACS)

    Professor Giampaolo Barone

  58. Microscopic interactions between ivermectin and key human and viral proteins involved in SARS-CoV-2 infection

    Article • Physical Chemistry Chemical Physics, January 2021, Royal Society of Chemistry

    Professor Giampaolo Barone

  59. Synthesis, characterization, and cellular investigations of porphyrin– and chlorin–indomethacin conjugates for photodynamic therapy of cancer

    Article • Organic & Biomolecular Chemistry, January 2021, Royal Society of Chemistry

    Professor Giampaolo Barone

  60. Green Tea Catechins Induce Inhibition of PTP1B Phosphatase in Breast Cancer Cells with Potent Anti-Cancer Properties: In Vitro Assay, Molecular Docking, and Dynamics Studies

    Article • Antioxidants, November 2020, MDPI AG

    Professor Giampaolo Barone

  61. Forever Young: Structural Stability of Telomeric Guanine-Quadruplexes in Presence of Oxidative DNA Lesions

    Article • November 2020, Cold Spring Harbor Laboratory Press

    Professor Giampaolo Barone

  62. Molecular Basis of SARS-CoV-2 Infection and Rational Design of Potential Antiviral Agents: Modeling and Simulation Approaches

    Article • Journal of Proteome Research, October 2020, American Chemical Society (ACS)

    Professor Giampaolo Barone

  63. Identification of New Antimicrobial Peptides from Mediterranean Medical Plant Charybdis pancration (Steinh.) Speta

    Article • Antibiotics, October 2020, MDPI AG

    Professor Giampaolo Barone, Dr. Maria Vitale

  64. Thermodynamics of the Interaction between the Spike Protein of Severe Acute Respiratory Syndrome Coronavirus-2 and the Receptor of Human Angiotensin-Converting Enzyme 2. Effects of Possible Ligands

    Article • The Journal of Physical Chemistry Letters, October 2020, American Chemical Society (ACS)

    Professor Giampaolo Barone

  65. Thermodynamics of the interaction between the spike protein of severe acute respiratory syndrome- coronavirus-2 and the receptor of human angiotensin converting enzyme 2. Effects of possible ligands

    Article • October 2020, American Chemical Society (ACS)

    Professor Giampaolo Barone

  66. Has Ivermectin Virus-Directed Effects against SARS-CoV-2? Rationalizing the Action of a Potential Multitarget Antiviral Agent

    Article • August 2020, American Chemical Society (ACS)

    Professor Giampaolo Barone

  67. Has Ivermectin Virus-Directed Effects against SARS-CoV-2? Rationalizing the Action of a Potential Multitarget Antiviral Agent

    Article • August 2020, American Chemical Society (ACS)

    Professor Giampaolo Barone

  68. Exploring the Chemoselectivity towards Cysteine Arylation by Cyclometallated Au III Compounds: New Mechanistic Insights

    Article • ChemBioChem, July 2020, Wiley

    Professor Giampaolo Barone

  69. Role of RNA Guanine Quadruplexes in Favoring the Dimerization of SARS Unique Domain in Coronaviruses

    Article • The Journal of Physical Chemistry Letters, July 2020, American Chemical Society (ACS)

    Professor Giampaolo Barone

  70. Thermodynamics of the Interaction Between SARS-CoV-2 Spike Protein and Human ACE2 Receptor. Effects of Possible Ligands

    Article • April 2020, American Chemical Society (ACS)

    Professor Giampaolo Barone

  71. Thermodynamics of the Interaction Between SARS-CoV-2 Spike Protein and Human ACE2 Receptor. Effects of Possible Ligands

    Article • April 2020, American Chemical Society (ACS)

    Professor Giampaolo Barone

  72. Thermodynamics of the Interaction Between SARS-CoV-2 Spike Protein and Human ACE2 Receptor. Effects of Possible Ligands

    Article • April 2020, American Chemical Society (ACS)

    Professor Giampaolo Barone

  73. Role of RNA Guanine Quadruplexes in Favoring the Dimerization of SARS Unique Domain in Coronaviruses

    Article • April 2020, Cold Spring Harbor Laboratory Press

    Professor Giampaolo Barone

  74. Carbon–Phosphorus Coupling from C^N Cyclometalated Au III Complexes

    Article • Chemistry - A European Journal, March 2020, Wiley

    Professor Giampaolo Barone, Dr Simon J Coles

  75. DNA-binding of zinc(II) and nickel(II) salphen-like complexes extrapolated at 1 M salt concentration: Removing the ionic strength bias in physiological conditions

    Article • Journal of Inorganic Biochemistry, March 2020, Elsevier

    Professor Giampaolo Barone

  76. Targeting G-quadruplexes with Organic Dyes: Chelerythrine–DNA Binding Elucidated by Combining Molecular Modeling and Optical Spectroscopy

    Article • Antioxidants, October 2019, MDPI AG

    Professor Giampaolo Barone

  77. Human DNA Telomeres in Presence of Oxidative Lesions: The Crucial Role of Electrostatic Interactions on the Stability of Guanine Quadruplexes

    Article • Antioxidants, August 2019, MDPI AG

    Professor Giampaolo Barone

  78. Cyclometalated Au III Complexes for Cysteine Arylation in Zinc Finger Protein Domains: towards Controlled Reductive Elimination

    Article • Chemistry - A European Journal, May 2019, Wiley

    Professor Giampaolo Barone

  79. DHFR Inhibitors: Reading the Past for Discovering Novel Anticancer Agents

    Article • Molecules, March 2019, MDPI AG

    Professor Giampaolo Barone

  80. A Synthetic Derivative of Antimicrobial Peptide Holothuroidin 2 from Mediterranean Sea Cucumber (Holothuria tubulosa) in the Control of Listeria monocytogenes

    Article • Marine Drugs, March 2019, MDPI AG

    Professor Giampaolo Barone, Dr. Maria Vitale

  81. Pyrrolomycins as antimicrobial agents. Microwave-assisted organic synthesis and insights into their antimicrobial mechanism of action

    Article • Bioorganic & Medicinal Chemistry, January 2019, Elsevier

    Professor Giampaolo Barone

  82. Antimicrobial and Antibiofilm Activity of a Recombinant Fragment of β-Thymosin of Sea Urchin Paracentrotus lividus

    Article • Marine Drugs, October 2018, MDPI AG

    Professor Giampaolo Barone

  83. Perturbation of Developmental Regulatory Gene Expression by a G-Quadruplex DNA Inducer in the Sea Urchin Embryo

    Article • Biochemistry, July 2018, American Chemical Society (ACS)

    Professor Giampaolo Barone

  84. Role of Seroalbumin in the Cytotoxicity of cis-Dichloro Pt(II) Complexes with (N^N)-Donor Ligands Bearing Functionalized Tails

    Article • Inorganic Chemistry, May 2018, American Chemical Society (ACS)

    Professor Giampaolo Barone

  85. Kinetic evidence for interaction of TMPyP4 with two different G-quadruplex conformations of human telomeric DNA

    Article • Biochimica et Biophysica Acta (BBA) - General Subjects, March 2018, Elsevier

    Professor Giampaolo Barone

  86. 2-Methoxyestradiol Affects Mitochondrial Biogenesis Pathway and Succinate Dehydrogenase Complex Flavoprotein Subunit A in Osteosarcoma Cancer Cells

    Article • Cancer Genomics & Proteomics, January 2018, International Institute of Anticancer Research

    Professor Giampaolo Barone

  87. The interaction of Schiff Base complexes of nickel(II) and zinc(II) with duplex and G-quadruplex DNA

    Article • Journal of Inorganic Biochemistry, January 2018, Elsevier

    Professor Giampaolo Barone

  88. Selective targeting of PARP-1 zinc finger recognition domains with Au(iii) organometallics

    Article • Chemical Communications, January 2018, Royal Society of Chemistry

    Professor Giampaolo Barone

  89. 2-methoxyestradiol impacts on amino acids-mediated metabolic reprogramming in osteosarcoma cells by its interaction with NMDA receptor

    Article • Journal of Cellular Physiology, June 2017, Wiley

    Professor Giampaolo Barone

  90. The dissociation of the Hsp60/pro-Caspase-3 complex by bis(pyridyl)oxadiazole copper complex ( CubipyOXA ) leads to cell death in NCI-H292 cancer cells

    Article • Journal of Inorganic Biochemistry, May 2017, Elsevier

    Antonio Palumbo Piccionello, Professor Giampaolo Barone

  91. A novel compound of triphenyltin(IV) with N - tert -butoxycarbonyl- l -ornithine causes cancer cell death by inducing a p53-dependent activation of the mitochondrial pathway of apoptosis

    Article • Inorganica Chimica Acta, February 2017, Elsevier

    Professor Giampaolo Barone

  92. 1,3-Dipolar cycloadditions with meso-tetraarylchlorins – site selectivity and mixed bisadducts

    Article • Organic Chemistry Frontiers, January 2017, Royal Society of Chemistry

    Professor Giampaolo Barone

  93. The mechanism of aquaporin inhibition by gold compounds elucidated by biophysical and computational methods

    Article • Chemical Communications, January 2017, Royal Society of Chemistry

    Professor Giampaolo Barone

  94. DNA-Binding and Anticancer Activity of Pyrene-Imidazolium Derivatives

    Article • ChemistrySelect, December 2016, Wiley

    Professor Giampaolo Barone, Dr. Francesco Giacalone

  95. Metal Ions and Metal Complexes in Alzheimer's Disease

    Article • Current Pharmaceutical Design, August 2016, Bentham Science Publishers

    Professor Giampaolo Barone

  96. G-quadruplex vs. duplex-DNA binding of nickel(II) and zinc(II) Schiff base complexes

    Article • Journal of Inorganic Biochemistry, August 2016, Elsevier

    Professor Giampaolo Barone

  97. The inhibition of glycerol permeation through aquaglyceroporin-3 induced by mercury(II): A molecular dynamics study

    Article • Journal of Inorganic Biochemistry, July 2016, Elsevier

    Professor Giampaolo Barone

  98. A peptide from human β thymosin as a platform for the development of new anti-biofilm agents for Staphylococcus spp. and Pseudomonas aeruginosa

    Article • World Journal of Microbiology and Biotechnology, June 2016, Springer Science + Business Media

    Professor Giampaolo Barone, Dr. Maria Vitale

  99. The Binding Mechanism of Epolactaene to Hsp60 Unveiled by in Silico Modelling

    Article • ChemistrySelect, April 2016, Wiley

    Antonio Palumbo Piccionello, Professor Giampaolo Barone

  100. Circular Dichroism of DNA G-Quadruplexes: Combining Modeling and Spectroscopy To Unravel Complex Structures

    Article • The Journal of Physical Chemistry, March 2016, American Chemical Society (ACS)

    Professor Giampaolo Barone

  101. Teaching Inorganic Photophysics and Photochemistry with Three Ruthenium(II) Polypyridyl Complexes: A Computer-Based Exercise

    Article • Journal of Chemical Education, February 2016, American Chemical Society (ACS)

    Professor Giampaolo Barone

  102. Structure and Stability of Hsp60 and Groel in Solution

    Article • Biophysical Journal, February 2016, Elsevier

    Antonio Palumbo Piccionello, Professor Giampaolo Barone

  103. Another step toward DNA selective targeting: NiII and CuII complexes of a Schiff base ligand able to bind gene promoter G-quadruplexes

    Article • Dalton Transactions, January 2016, Royal Society of Chemistry

    Professor Giampaolo Barone

  104. Molecular recognition of naphthalene diimide ligands by telomeric quadruplex-DNA: the importance of the protonation state and mediated hydrogen bonds

    Article • Physical Chemistry Chemical Physics, January 2016, Royal Society of Chemistry

    Professor Giampaolo Barone

  105. Interaction of Cd(ii) and Ni(ii) terpyridine complexes with model polynucleotides: a multidisciplinary approach

    Article • RSC Advances, January 2016, Royal Society of Chemistry

    Professor Giampaolo Barone

  106. Correction to Interaction of Doxorubicin with Polynucleotides. A Spectroscopic Study

    Article • Biochemistry, December 2015, American Chemical Society (ACS)

    Professor Giampaolo Barone

  107. The Influence of the Amide Linkage in the FeIII-Binding Properties of Catechol-Modified Rosamine Derivatives

    Article • Chemistry - A European Journal, September 2015, Wiley

    Professor Giampaolo Barone

  108. Enhancement of premature stop codon readthrough in the CFTR gene by Ataluren (PTC124) derivatives

    Article • European Journal of Medicinal Chemistry, August 2015, Elsevier

    Professor Giampaolo Barone

  109. Ag2and Ag3Clusters: Synthesis, Characterization, and Interaction with DNA

    Article • Angewandte Chemie, May 2015, Wiley

    Professor Giampaolo Barone

  110. Ag2and Ag3Clusters: Synthesis, Characterization, and Interaction with DNA

    Article • Angewandte Chemie, May 2015, Wiley

    Professor Giampaolo Barone

  111. Zinc complexes as fluorescent chemosensors for nucleic acids: new perspectives for a “boring” element

    Article • Dalton Transactions, January 2015, Royal Society of Chemistry

    Professor Giampaolo Barone

  112. Quaternary structures of GroEL and naïve-Hsp60 chaperonins in solution: a combined SAXS-MD study

    Article • RSC Advances, January 2015, Royal Society of Chemistry

    Antonio Palumbo Piccionello, Dr Maria Grazia Ortore, Professor Giampaolo Barone

  113. ChemInform Abstract: 1,2,3-Triazole in Heterocyclic Compounds, Endowed with Biological Activity, Through 1,3-Dipolar Cycloadditions

    Article • ChemInform, December 2014, Wiley

    Professor Giampaolo Barone

  114. Paracentrin 1, a synthetic antimicrobial peptide from the sea-urchin Paracentrotus lividus, interferes with staphylococcal and Pseudomonas aeruginosa biofilm formation

    Article • AMB Express, October 2014, Springer Science + Business Media

    Professor Giampaolo Barone, Dr. Maria Vitale

  115. The Right Answer for the Right Electrostatics: Force Field Methods Are Able to Describe Relative Energies of DNA Guanine Quadruplexes

    Article • Journal of Chemical Theory and Computation, August 2014, American Chemical Society (ACS)

    Professor Giampaolo Barone

  116. New benzothieno[3,2-d]-1,2,3-triazines with antiproliferative activity: Synthesis, spectroscopic studies, and biological activity

    Article • Bioorganic & Medicinal Chemistry Letters, August 2014, Elsevier

    Professor Giampaolo Barone

  117. A Theoretical and Experimental Investigation of the Spectroscopic Properties of a DNA-Intercalator Salphen-Type ZnIIComplex

    Article • Chemistry - A European Journal, May 2014, Wiley

    Professor Giampaolo Barone

  118. Interaction of Doxorubicin with Polynucleotides. A Spectroscopic Study

    Article • Biochemistry, April 2014, American Chemical Society (ACS)

    Professor Giampaolo Barone

  119. 1,2,3‐Triazole in Heterocyclic Compounds, Endowed with Biological Activity, through 1,3‐Dipolar Cycloadditions

    Article • European Journal of Organic Chemistry, March 2014, Wiley

    Professor Giampaolo Barone

  120. Multivariate analysis in the identification of biological targets for designed molecular structures: The BIOTA protocol

    Article • European Journal of Medicinal Chemistry, March 2014, Elsevier

    Professor Giampaolo Barone

  121. Does Ligand Symmetry Play a Role in the Stabilization of DNA G-Quadruplex Host-Guest Complexes?

    Article • Current Medicinal Chemistry, February 2014, Bentham Science Publishers

    Professor Giampaolo Barone

  122. Toward a Rationale for the PTC124 (Ataluren) Promoted Readthrough of Premature Stop Codons: A Computational Approach and GFP-Reporter Cell-Based Assay

    Article • Molecular Pharmaceutics, February 2014, American Chemical Society (ACS)

    Antonio Palumbo Piccionello, Professor Giampaolo Barone

  123. Structure-Directing and High-Efficiency Photocatalytic Hydrogen Production by Ag Clusters

    Article • Journal of the American Chemical Society, January 2014, American Chemical Society (ACS)

    Professor Giampaolo Barone

  124. Nickel(ii), copper(ii) and zinc(ii) metallo-intercalators: structural details of the DNA-binding by a combined experimental and computational investigation

    Article • Dalton Transactions, January 2014, Royal Society of Chemistry

    Professor Giampaolo Barone

  125. Selective G-quadruplex stabilizers: Schiff-base metal complexes with anticancer activity

    Article • RSC Advances, January 2014, Royal Society of Chemistry

    Professor Giampaolo Barone

  126. ChemInform Abstract: Photochemical Functionalization of Allyl Benzoates by C-H Insertion.

    Article • ChemInform, November 2013, Wiley

    Professor Giampaolo Barone

  127. In Silico, Spectroscopic, and Biological Insights on Annelated Pyrrolo[3,2- e]Pyrimidines with Antiproliferative Activity

    Article • Letters in Drug Design & Discovery, November 2013, Bentham Science Publishers

    Professor Giampaolo Barone

  128. DNA-binding of nickel(II), copper(II) and zinc(II) complexes: Structure–affinity relationships

    Article • Coordination Chemistry Reviews, October 2013, Elsevier

    Professor Giampaolo Barone

  129. B-DNA Structure and Stability as Function of Nucleic Acid Composition: Dispersion-Corrected DFT Study of Dinucleoside Monophosphate Single and Double Strands

    Article • ChemistryOpen, August 2013, Wiley

    Professor Matthias Bickelhaupt, Professor Giampaolo Barone

  130. Photochemical functionalization of allyl benzoates by C–H insertion

    Article • Tetrahedron, July 2013, Elsevier

    Antonio Palumbo Piccionello, Professor Giampaolo Barone

  131. Metal complex–DNA binding: Insights from molecular dynamics and DFT/MM calculations

    Article • Journal of Inorganic Biochemistry, July 2013, Elsevier

    Professor Giampaolo Barone

  132. The influence of substitution in the quinoxaline nucleus on 1,3-dipolar cycloaddition reactions: A DFT study

    Article • Computational and Theoretical Chemistry, June 2013, Elsevier

    Professor Giampaolo Barone

  133. Hsp60, a Novel Target for Antitumor Therapy: Structure-Function Features and Prospective Drugs Design

    Article • Current Pharmaceutical Design, March 2013, Bentham Science Publishers

    Antonio Palumbo Piccionello, Professor Giampaolo Barone

  134. DNA interaction of CuII, NiII and ZnII functionalized salphen complexes: studies by linear dichroism, gel electrophoresis and PCR

    Article • Dalton Transactions, January 2013, Royal Society of Chemistry

    Professor Giampaolo Barone

  135. Are compliance constants ill-defined descriptors for weak interactions?

    Article • RSC Advances, January 2013, Royal Society of Chemistry

    Professor Giampaolo Barone

  136. (Dipyrido[3,2-a:2′,3′-c]phenazine)(glycinato)copper(II) perchlorate: A novel DNA-intercalator with anti-proliferative activity against thyroid cancer cell lines

    Article • Journal of Inorganic Biochemistry, December 2012, Elsevier

    Professor Giampaolo Barone

  137. DNA Binding Studies and Cytotoxicity of a Dinuclear PtIIDiazapyrenium-Based Metallo-supramolecular Rectangular Box

    Article • Chemistry - A European Journal, July 2012, Wiley

    Professor Giampaolo Barone

  138. Relativistic coupled cluster calculations of the electronic structure of KrH+, XeH+ and RnH+

    Article • March 2012, Springer Science + Business Media

    Professor Giampaolo Barone

  139. Relativistic coupled cluster calculations of the electronic structure of KrH+, XeH+ and RnH+

    Article • Theoretical Chemistry Accounts, March 2012, Springer Science + Business Media

    Professor Giampaolo Barone

  140. DNA binding and antiproliferative activity toward human carcinoma cells of copper(ii) and zinc(ii) complexes of a 2,5-diphenyl[1,3,4]oxadiazole derivative

    Article • Dalton Transactions, January 2012, Royal Society of Chemistry

    Professor Giampaolo Barone, Professor Vieri Fusi

  141. Synthesis and chemical characterization of CuII, NiII and ZnII complexes of 3,5-bis(2′-pyridyl)-1,2,4-oxadiazole and 3-(2′-pyridyl)5-(phenyl)-1,2,4-oxadiazole ligands

    Article • Inorganica Chimica Acta, July 2011, Elsevier

    Antonio Palumbo Piccionello, Professor Giampaolo Barone

  142. Hydrogenolysis of hydroxymatairesinol on Y derived catalysts: A computational study

    Article • Journal of Molecular Catalysis A Chemical, December 2010, Elsevier

    Professor Giampaolo Barone

  143. Fluorescence emission and enhanced photochemical stability of ZnII-5-triethyl ammonium methyl salicylidene ortho-phenylendiiminate interacting with native DNA

    Article • Journal of Inorganic Biochemistry, July 2010, Elsevier

    Professor Giampaolo Barone

  144. Synthesis, characterization, cellular uptake and interaction with native DNA of a bis(pyridyl)-1,2,4-oxadiazole copper(ii) complex

    Article • Dalton Transactions, January 2010, Royal Society of Chemistry

    Antonio Palumbo Piccionello, Professor Giampaolo Barone

  145. Computational study of the interaction of proflavine with d(ATATATATAT)2 and d(GCGCGCGCGC)2

    Article • Journal of Molecular Structure THEOCHEM, December 2009, Elsevier

    Professor Giampaolo Barone

  146. Systematic conformational search analysis of the SRR and RRR epimers of 7-hydroxymatairesinol

    Article • Journal of Physical Organic Chemistry, August 2009, Wiley

    Professor Giampaolo Barone

  147. CASSCF/CASPT2 analysis of the fragmentation of H2 on a Pd4 cluster

    Article • International Journal of Quantum Chemistry, June 2009, Wiley

    Professor Giampaolo Barone

  148. Adsorbed CO on Group 10 Metal Fragments: A DFT Study†

    Article • Journal of Chemical Information and Modeling, May 2009, American Chemical Society (ACS)

    Professor Giampaolo Barone

  149. On the structure of 3-acetylamino-5-methyl-1,2,4-oxadiazole and on the fully degenerate rearrangements (FDR) of its anion: a stimulating comparison between the results of ‘in-silicon chemistry’ and ‘laboratory chemistry’

    Article • Journal of Physical Organic Chemistry, May 2009, Wiley

    Professor Giampaolo Barone

  150. Confined But-2-ene Catalytic Isomerization Inside H-ZSM-5 Models: A DFT Study

    Article • Journal of Chemical Theory and Computation, May 2009, American Chemical Society (ACS)

    Professor Giampaolo Barone

  151. Spectroscopic study of the interaction of NiII-5-triethyl ammonium methyl salicylidene ortho-phenylendiiminate with native DNA

    Article • Journal of Inorganic Biochemistry, May 2009, Elsevier

    Professor Giampaolo Barone

  152. Molecular-Level Characterization of Heterogeneous Catalytic Systems by Algorithmic Time Dependent Monte Carlo

    Article • Topics in Catalysis, January 2009, Springer Science + Business Media

    Professor Giampaolo Barone

  153. Structural and Kinetic DFT Characterization of Materials to Rationalize Catalytic Performance

    Article • Topics in Catalysis, January 2009, Springer Science + Business Media

    Professor Giampaolo Barone

  154. Experimental and DFT Studies on Competitive Heterocyclic Rearrangements. 3.†A Cascade Isoxazole−1,2,4-Oxadiazole−Oxazole Rearrangement‡

    Article • The Journal of Organic Chemistry, January 2009, American Chemical Society (ACS)

    Professor Giampaolo Barone

  155. The interaction of native calf thymus DNA with FeIII-dipyrido[3,2-a:2′,3′-c]phenazine

    Article • Journal of Inorganic Biochemistry, January 2009, Elsevier

    Professor Giampaolo Barone

  156. ChemInform Abstract: Pyrazolo[3,4-d][1,2,3]triazolo[1,5-a]pyrimidine: A New Ring System Through Dimroth Rearrangement.

    Article • ChemInform, December 2008, Wiley

    Professor Giampaolo Barone

  157. Intercalation of Daunomycin into Stacked DNA Base Pairs. DFT Study of an Anticancer Drug

    Article • Journal of Biomolecular Structure and Dynamics, August 2008, Taylor & Francis

    Professor Matthias Bickelhaupt, Professor Giampaolo Barone

  158. Pyrazolo[3,4-d][1,2,3]triazolo[1,5-a]pyrimidine: a new ring system through Dimroth rearrangement

    Article • Tetrahedron Letters, August 2008, Elsevier

    Professor Giampaolo Barone

  159. Nuclear Quadrupole Moment of 119Sn

    Article • The Journal of Physical Chemistry A, January 2008, American Chemical Society (ACS)

    Markus Reiher, Professor Giampaolo Barone

  160. Confinement effects on the interaction of native DNA with Cu(ii)–5-(triethylammoniummethyl)salicylidene ortho-phenylendiiminate in C12E4 liquid crystals

    Article • Dalton Transactions, January 2008, Royal Society of Chemistry

    Professor Giampaolo Barone

  161. Experimental and DFT Studies on Competitive Heterocyclic Rearrangements. Part 2:1 A One-Atom Side-Chain versus the Classic Three-Atom Side-Chain (Boulton−Katritzky) Ring Rearrangement of 3-Acylamino-1,2,4-oxadiazoles

    Article • The Journal of Organic Chemistry, September 2007, American Chemical Society (ACS)

    Antonio Palumbo Piccionello, Professor Giampaolo Barone

  162. H−ZSM-5 Modified Zeolite:  Quantum Chemical Models of Acidic Sites

    Article • The Journal of Physical Chemistry C, September 2007, American Chemical Society (ACS)

    Professor Giampaolo Barone

  163. Analytic high-order Douglas-Kroll-Hess electric field gradients

    Article • The Journal of Chemical Physics, August 2007, American Institute of Physics

    Markus Reiher, Professor Giampaolo Barone

  164. The interaction of native DNA with Zn(II) and Cu(II) complexes of 5-triethyl ammonium methyl salicylidene orto-phenylendiimine

    Article • Journal of Inorganic Biochemistry, May 2007, Elsevier

    Professor Giampaolo Barone

  165. IDEA: Interface dynamics and energetics algorithm

    Article • Journal of Computational Chemistry, January 2007, Wiley

    Professor Giampaolo Barone

  166. Tin–DNA complexes investigated by nuclear inelastic scattering of synchrotron radiation

    Article • Hyperfine Interactions, November 2006, Springer Science + Business Media

    Professor Giampaolo Barone

  167. Dynamics of metal centers monitored by nuclear inelastic scattering

    Article • Hyperfine Interactions, October 2006, Springer Science + Business Media

    Professor Giampaolo Barone

  168. The Prediction of the Nuclear Quadrupole Splitting of119Sn Mössbauer Spectroscopy Data by Scalar Relativistic DFT Calculations

    Article • Chemistry - A European Journal, June 2006, Wiley

    Professor Giampaolo Barone

  169. Structural investigations on diorgano- and triorganotin(IV) derivatives of [meso-tetra(4-sulfonatophenyl)porphine] metal chlorides

    Article • Journal of Organometallic Chemistry, April 2006, Elsevier

    Professor Giampaolo Barone

  170. Photochemistry of 1,2,4-Oxadiazoles. A DFT Study on Photoinduced Competitive Rearrangements of 3-Amino- and 3-N-Methylamino-5-perfluoroalkyl-1,2,4-oxadiazoles

    Article • The Journal of Organic Chemistry, March 2006, American Chemical Society (ACS)

    Professor Giampaolo Barone

  171. Synthesis, spectroscopic characterization and in vitro antimicrobial activity of diorganotin(IV) dichloride adducts with [1,2,4]triazolo-[1,5-a]pyrimidine and 5,7-dimethyl-[1,2,4]triazolo-[1,5-a]pyrimidine

    Article • Journal of Organometallic Chemistry, February 2006, Elsevier

    Professor Giampaolo Barone

  172. Conformational analysis and DFT calculations of 8α-hydroxy-germacradiene-6,12-olide derivatives

    Article • Journal of Physical Organic Chemistry, November 2005, Wiley

    Professor Giampaolo Barone

  173. Synthesis, characterization, and in vitro antimicrobial activity of organotin(IV) complexes with triazolo-pyrimidine ligands containing exocyclic oxygen atoms

    Article • Journal of Organometallic Chemistry, November 2005, Elsevier

    Professor Giampaolo Barone

  174. DFT Calculations of the Electric Field Gradient at the Tin Nucleus as a Support of Structural Interpretation by119Sn Mössbauer Spectroscopy

    Article • Chemistry - A European Journal, October 2005, Wiley

    Professor Giampaolo Barone

  175. DFT computational study on FeIII-N,N′-ethylene-bis(salicylideneiminato) derivatives

    Article • Journal of Molecular Structure THEOCHEM, February 2005, Elsevier

    Professor Giampaolo Barone

  176. Ground state and electronic spectrum of Cu(ii) and Cu(iii) complexes of N,N′-1,2-phenylenebis-2-mercaptoacetamide

    Article • Physical Chemistry Chemical Physics, January 2005, Royal Society of Chemistry

    Professor Giampaolo Barone

  177. X-ray Absorption Spectra of CuII and CuIII Complexes ofN,N?-1,2-Phenylenebis(2-mercapto-2-methylpropionamide)

    Article • European Journal of Inorganic Chemistry, January 2005, Wiley

    Professor Giampaolo Barone

  178. SCSACode:  Applications on the Cyclopeptide Renieramide

    Article • Journal of Chemical Information and Modeling, May 2004, American Chemical Society (ACS)

    Professor Giampaolo Barone

  179. The interaction of native DNA with iron(III)-N,N′-ethylene-bis(salicylideneiminato)-chloride

    Article • Journal of Inorganic Biochemistry, April 2004, Elsevier

    Professor Giampaolo Barone

  180. Erratum to “New time-dependent Monte Carlo algorithm designed to model three-phase batch reactor processes: applications on 2,4-dinitro-toluene hydrogenation on Pd/C catalysts” [Chem. Eng. J. 91 (2003) 133–142]

    Article • Chemical Engineering Journal, September 2003, Elsevier

    Professor Giampaolo Barone

  181. New time-dependent Monte Carlo algorithm designed to model three-phase batch reactor processes: applications on 2,4-dinitro-toluene hydrogenation on Pd/C catalysts

    Article • Chemical Engineering Journal, March 2003, Elsevier

    Professor Giampaolo Barone

  182. Hydrogenation of 2,4-Dinitro-toluene on Pd/C Catalysts: Computational Study on the Influence of the Molecular Adsorption Modes and of Steric Hindrance and Metal Dispersion on the Reaction Mechanism

    Article • Journal of Catalysis, October 2002, Elsevier

    Professor Giampaolo Barone

  183. Hydrogenation of 2,4-Dinitro-toluene on Pd/C Catalysts: Computational Study on the Influence of the Molecular Adsorption Modes and of Steric Hindrance and Metal Dispersion on the Reaction Mechanism

    Article • Journal of Catalysis, October 2002, Elsevier

    Professor Giampaolo Barone

  184. Structure Validation of Natural Products by Quantum-Mechanical GIAO Calculations of 13C NMR Chemical Shifts GIAO=gauge including atomic orbitals.

    Article • Chemistry - A European Journal, July 2002, Wiley

    Professor Giampaolo Barone

  185. Determination of the Relative Stereochemistry of Flexible Organic Compounds by Ab Initio Methods: Conformational Analysis and Boltzmann-Averaged GIAO 13C NMR Chemical Shifts GIAO=gauge including atomic orbitals.

    Article • Chemistry - A European Journal, July 2002, Wiley

    Professor Giampaolo Barone

  186. Ab initio study of structure and energetics of species involved in the 2,4-dinitro-toluene hydrogenation on Pd catalysts

    Article • Journal of Molecular Structure THEOCHEM, April 2002, Elsevier

    Professor Giampaolo Barone

  187. Synthesis and thermal decomposition studies of homo- and heteroleptic tin(iv) thiolates and dithiocarbamates: molecular precursors for tin sulfides

    Article • Journal of the Chemical Society Dalton Transactions, February 2002, Royal Society of Chemistry

    Professor Giampaolo Barone

  188. Structural distortions in homoleptic (RE)4A (E = O, S, Se; A = C, Si, Ge, Sn): implications for the CVD of tin sulfides

    Article • Journal of the Chemical Society Dalton Transactions, November 2001, Royal Society of Chemistry

    Professor Giampaolo Barone

  189. N -Diphenylmethyl-2-propenamide: theoretical study of the structure and interaction with a DNA model system

    Article • Journal of Molecular Structure THEOCHEM, September 2001, Elsevier

    Professor Giampaolo Barone

  190. Theoretical evaluation of structures and energetics involved in the hydrogenation of hydrocarbons on palladium surfaces

    Article • Journal of Molecular Structure THEOCHEM, July 2001, Elsevier

    Professor Giampaolo Barone

  191. Hydrogenation of light hydrocarbons on palladium: theoretical study of the local surface arrangements

    Article • Journal of Molecular Structure THEOCHEM, June 2001, Elsevier

    Professor Giampaolo Barone

  192. Deposition of tin sulfide thin films from tin(iv) thiolate precursors

    Article • Journal of Materials Chemistry, January 2001, Royal Society of Chemistry

    Professor Giampaolo Barone

  193. Computational study of dimethyl- and trimethyl-tin(IV) complexes of porphyrin derivatives

    Article • Applied Organometallic Chemistry, January 2001, Wiley

    Professor Giampaolo Barone

  194. Article • Catalysis Letters, January 2001, Springer Science + Business Media

    Professor Giampaolo Barone

  195. The interaction of deoxyribonucleic acid with methyltin(IV) moieties in solution studied by small‐angle X‐ray scattering, circular dichroism and UV spectroscopy

    Article • Applied Organometallic Chemistry, April 2000, Wiley

    Professor Giampaolo Barone

  196. The interaction of deoxyribonucleic acid with methyltin(IV) moieties in solution studied by small-angle X-ray scattering, circular dichroism and UV spectroscopy

    Article • Applied Organometallic Chemistry, April 2000, Wiley

    Professor Giampaolo Barone

  197. THEORETICAL STUDY OF THE STRUCTURE OF METHYLTIN(IV) DERIVATIVES OF 2-MERCAPTOPYRIDINE COMPLEXES

    Article • Main Group Metal Chemistry, January 2000, De Gruyter

    Professor Giampaolo Barone

  198. Semiempirical calculations on the interaction between dimethyltin(IV) and DNA model system

    Article • Journal of Molecular Structure THEOCHEM, September 1999, Elsevier

    Professor Giampaolo Barone

  199. A synchrotron radiation X-ray scattering study of aqueous solutions of native DNA

    Article • Journal of Synchrotron Radiation, September 1999, International Union of Crystallography

    Professor Giampaolo Barone

  200. The interaction of S,N-coordinated dimethyltin(IV) derivatives with deoxyribonucleic acid: structure and dynamics by119Sn Mössbauer spectroscopy

    Article • Applied Organometallic Chemistry, August 1999, Wiley

    Professor Giampaolo Barone

  201. The molecular structure of N‐hydroxyurea

    Article • International Journal of Quantum Chemistry, January 1996, Wiley

    Professor Giampaolo Barone