All Stories

  1. 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

  2. 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

  3. 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

  4. 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

  5. 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

  6. 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

  7. 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

  8. 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

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

    Article • ChemBioChem, July 2020, Wiley

    Professor Giampaolo Barone

  10. 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

  11. 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

  12. 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

  13. 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

  14. 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

  15. 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

  16. 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

  17. 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

  18. 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

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

    Article • Molecules, March 2019, MDPI AG

    Professor Giampaolo Barone

  20. 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

  21. 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

  22. 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

  23. 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

  24. 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

  25. 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

  26. 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

  27. 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

  28. 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

  29. 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

  30. 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

  31. 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

  32. 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

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

    Article • ChemistrySelect, December 2016, Wiley

    Professor Giampaolo Barone, Dr. Francesco Giacalone

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

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

    Professor Giampaolo Barone

  35. 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

  36. 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

  37. 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

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

    Article • ChemistrySelect, April 2016, Wiley

    Antonio Palumbo Piccionello, Professor Giampaolo Barone

  39. 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

  40. 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

  41. Structure and Stability of Hsp60 and Groel in Solution

    Article • Biophysical Journal, February 2016, Elsevier

    Antonio Palumbo Piccionello, Professor Giampaolo Barone

  42. 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

  43. 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

  44. 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

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

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

    Professor Giampaolo Barone

  46. 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

  47. 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

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

    Article • Angewandte Chemie, May 2015, Wiley

    Professor Giampaolo Barone

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

    Article • Angewandte Chemie International Edition, May 2015, Wiley

    Professor Giampaolo Barone

  50. 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

  51. 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

  52. 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

  53. 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

  54. 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

  55. 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

  56. 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

  57. Interaction of Doxorubicin with Polynucleotides. A Spectroscopic Study

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

    Professor Giampaolo Barone

  58. 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

  59. 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

  60. 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

  61. 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

  62. 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

  63. 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

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

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

    Professor Giampaolo Barone

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

    Article • ChemInform, November 2013, Wiley

    Professor Giampaolo Barone

  66. 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

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

    Article • Coordination Chemistry Reviews, October 2013, Elsevier

    Professor Giampaolo Barone

  68. 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

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

    Article • Tetrahedron, July 2013, Elsevier

    Antonio Palumbo Piccionello, Professor Giampaolo Barone

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

    Article • Journal of Inorganic Biochemistry, July 2013, Elsevier

    Professor Giampaolo Barone

  71. 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

  72. 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

  73. 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

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

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

    Professor Giampaolo Barone

  75. (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

  76. 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

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

    Article • March 2012, Springer Science + Business Media

    Professor Giampaolo Barone

  78. 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

  79. 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

  80. 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

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

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

    Professor Giampaolo Barone

  82. 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

  83. 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

  84. 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

  85. 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

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

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

    Professor Giampaolo Barone

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

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

    Professor Giampaolo Barone

  88. 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

  89. 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

  90. 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

  91. 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

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

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

    Professor Giampaolo Barone

  93. 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

  94. 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

  95. 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

  96. 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

  97. 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

  98. Nuclear Quadrupole Moment of 119Sn

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

    Markus Reiher, Professor Giampaolo Barone

  99. 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

  100. 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

  101. 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

  102. 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

  103. 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

  104. IDEA: Interface dynamics and energetics algorithm

    Article • Journal of Computational Chemistry, January 2007, Wiley

    Professor Giampaolo Barone

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

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

    Professor Giampaolo Barone

  106. Dynamics of metal centers monitored by nuclear inelastic scattering

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

    Professor Giampaolo Barone

  107. 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

  108. 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

  109. 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

  110. 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

  111. 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

  112. 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

  113. 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

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

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

    Professor Giampaolo Barone

  115. 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

  116. 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

  117. SCSACode:  Applications on the Cyclopeptide Renieramide

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

    Professor Giampaolo Barone

  118. 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

  119. 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

  120. 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

  121. 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

  122. 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

  123. 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

  124. 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

  125. 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

  126. 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

  127. 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

  128. 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

  129. 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

  130. 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

  131. 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

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

    Article • Applied Organometallic Chemistry, January 2001, Wiley

    Professor Giampaolo Barone

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

    Professor Giampaolo Barone

  134. 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

  135. 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

  136. 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

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

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

    Professor Giampaolo Barone

  138. 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

  139. 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

  140. The molecular structure of N‐hydroxyurea

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

    Professor Giampaolo Barone