All Stories

  1. Time Dependent Density Functional Theory Calculations of 4-Thiothymidine-containing DNA Dinucleotides

    Article • June 2019, American Chemical Society (ACS)

    Prof. Carlos E Crespo-Hernández

  2. Time Dependent Density Functional Theory Calculations of 4-Thiothymidine-containing DNA Dinucleotides

    Article • June 2019, American Chemical Society (ACS)

    Prof. Carlos E Crespo-Hernández

  3. Excited-State Dynamics in the RNA Nucleotide Uridine 5′-Monophosphate Investigated Using Femtosecond Broadband Transient Absorption Spectroscopy

    Article • The Journal of Physical Chemistry Letters, April 2019, American Chemical Society (ACS)

    Prof. Carlos E Crespo-Hernández

  4. Photo-protection/photo-damage in natural systems: general discussion

    Article • Faraday Discussions, January 2019, Royal Society of Chemistry

    Prof. Carlos E Crespo-Hernández

  5. Photovoltaics and bio-inspired light harvesting: general discussion

    Article • Faraday Discussions, January 2019, Royal Society of Chemistry

    Prof. Carlos E Crespo-Hernández

  6. Tracking the origin of photostability in purine nucleobases: the photophysics of 2-oxopurine

    Article • Physical Chemistry Chemical Physics, January 2019, Royal Society of Chemistry

    Prof. Carlos E Crespo-Hernández

  7. Photochemical and Photodynamical Properties of Sulfur-Substituted Nucleic Acid Bases,

    Article • Photochemistry and Photobiology, September 2018, Wiley

    Prof. Carlos E Crespo-Hernández, Mr Brennan Ashwood

  8. Heavy-Atom-Substituted Nucleobases in Photodynamic Applications: Substitution of Sulfur with Selenium in 6-Thioguanine Induces a Remarkable Increase in the Rate of Triplet Decay in 6-Selenoguanine

    Article • Journal of the American Chemical Society, August 2018, American Chemical Society (ACS)

    Prof. Carlos E Crespo-Hernández

  9. Dithionated Nucleobases as Effective Photodynamic Agents against Human Epidermoid Carcinoma Cells

    Article • ChemMedChem, April 2018, Wiley

    Prof. Carlos E Crespo-Hernández

  10. Photodynamics in Metal-Chelating Tetraphenylazadipyrromethene Complexes: Implications for Their Potential Use as Photovoltaic Materials

    Article • The Journal of Physical Chemistry C, April 2018, American Chemical Society (ACS)

    Prof. Carlos E Crespo-Hernández

  11. Photochemical relaxation pathways of S6-methylthioinosine and O6-methylguanosine in solution

    Article • Faraday Discussions, January 2018, Royal Society of Chemistry

    Mr Brennan Ashwood, Prof. Carlos E Crespo-Hernández

  12. Light induced charge and energy transport in nucleic acids and proteins: general discussion

    Article • Faraday Discussions, January 2018, Royal Society of Chemistry

    Professor John Richard Helliwell, Prof. Carlos E Crespo-Hernández, Dr Ravi Kumar Venkatraman

  13. Light induced damage and repair in nucleic acids and proteins: general discussion

    Article • Faraday Discussions, January 2018, Royal Society of Chemistry

    Professor John Richard Helliwell, Prof. Carlos E Crespo-Hernández

  14. Photocrosslinking between nucleic acids and proteins: general discussion

    Article • Faraday Discussions, January 2018, Royal Society of Chemistry

    Professor John Richard Helliwell, Prof. Carlos E Crespo-Hernández

  15. Photorelaxation and Photorepair Processes in Nucleic and Amino Acid Derivatives

    Article • Molecules, December 2017, MDPI AG

    Prof. Carlos E Crespo-Hernández

  16. Photochemical Relaxation Pathways in Dinitropyrene Isomer Pollutants

    Article • The Journal of Physical Chemistry A, October 2017, American Chemical Society (ACS)

    Prof. Carlos E Crespo-Hernández

  17. Ultrafast Excited-State Dynamics in Cyclometalated Ir(III) Complexes Coordinated with Perylenebisimide and Its π-Radical Anion Ligands

    Article • The Journal of Physical Chemistry C, September 2017, American Chemical Society (ACS)

    Prof. Carlos E Crespo-Hernández, Mr Brennan Ashwood

  18. Excited-State Dynamics in O6-Methylguanosine: Impact of O6-Methylation on the Relaxation Mechanism of Guanine Monomers

    Article • The Journal of Physical Chemistry Letters, August 2017, American Chemical Society (ACS)

    Mr Brennan Ashwood, Prof. Carlos E Crespo-Hernández

  19. Photochemical Reactivity of dTPT3: A Crucial Nucleobase Derivative in the Development of Semisynthetic Organisms

    Article • The Journal of Physical Chemistry Letters, May 2017, American Chemical Society (ACS)

    Prof. Carlos E Crespo-Hernández, Mr Brennan Ashwood

  20. Solvatochromic Effects on the Absorption Spectrum of 2-Thiocytosine

    Article • The Journal of Physical Chemistry, May 2017, American Chemical Society (ACS)

    Prof. Carlos E Crespo-Hernández, Mr Brennan Ashwood

  21. Excited-State Dynamics of the Thiopurine Prodrug 6-Thioguanine: Can N9-Glycosylation Affect Its Phototoxic Activity?

    Article • Molecules, February 2017, MDPI AG

    Prof. Carlos E Crespo-Hernández, Mr Brennan Ashwood

  22. Decoding the Molecular Basis for the Population Mechanism of the Triplet Phototoxic Precursors in UVA Light-Activated Pyrimidine Anticancer Drugs

    Article • Chemistry - A European Journal, January 2017, Wiley

    Prof. Carlos E Crespo-Hernández

  23. Electronic relaxation pathways of the biologically relevant pterin chromophore

    Article • Physical Chemistry Chemical Physics, January 2017, Royal Society of Chemistry

    Prof. Carlos E Crespo-Hernández

  24. 2-Thiouracil intersystem crossing photodynamics studied by wavelength-dependent photoelectron and transient absorption spectroscopies

    Article • Physical Chemistry Chemical Physics, January 2017, Royal Society of Chemistry

    Mr Brennan Ashwood, Prof. Carlos E Crespo-Hernández

  25. The Photochemical Branching Ratio in 1,6-Dinitropyrene Depends on the Excitation Energy

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

    Prof. Carlos E Crespo-Hernández

  26. Can a Six-Letter Alphabet Increase the Likelihood of Photochemical Assault to the Genetic Code?

    Article • Chemistry - A European Journal, October 2016, Wiley

    Prof. Carlos E Crespo-Hernández, Mr Brennan Ashwood

  27. The Triplet State of 6-thio-2′-deoxyguanosine: Intrinsic Properties and Reactivity Toward Molecular Oxygen

    Article • Photochemistry and Photobiology, February 2016, Wiley

    Prof. Carlos E Crespo-Hernández, Marvin Pollum

  28. Direct Observation of Triplet-State Population Dynamics in the RNA Uracil Derivative 1-Cyclohexyluracil

    Article • The Journal of Physical Chemistry Letters, November 2015, American Chemical Society (ACS)

    Prof. Carlos E Crespo-Hernández

  29. Electronic and Structural Elements That Regulate the Excited-State Dynamics in Purine Nucleobase Derivatives

    Article • Journal of the American Chemical Society, April 2015, American Chemical Society (ACS)

    Prof. Carlos E Crespo-Hernández, Marvin Pollum

  30. Increase in the photoreactivity of uracil derivatives by doubling thionation

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Prof. Carlos E Crespo-Hernández, Marvin Pollum

  31. 2,4-Dithiothymine as a Potent UVA Chemotherapeutic Agent

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

    Prof. Carlos E Crespo-Hernández, Marvin Pollum

  32. Communication: The dark singlet state as a doorway state in the ultrafast and efficient intersystem crossing dynamics in 2-thiothymine and 2-thiouracil

    Article • The Journal of Chemical Physics, February 2014, American Institute of Physics

    Prof. Carlos E Crespo-Hernández, Marvin Pollum

  33. Photochemistry of Nucleic Acid Bases and Their Thio- and Aza-Analogues in Solution

    Article • January 2014, Springer Science + Business Media

    Prof. Carlos E Crespo-Hernández, Marvin Pollum

  34. Conformational Control in the Population of the Triplet State and Photoreactivity of Nitronaphthalene Derivatives

    Article • The Journal of Physical Chemistry A, December 2013, American Chemical Society (ACS)

    Prof. Carlos E Crespo-Hernández

  35. Correction to: Sunscreen use and failures - on site observations on a sun holiday

    Article • Photochemical & Photobiological Sciences, December 2013, Springer Science + Business Media

    Prof. Carlos E Crespo-Hernández

  36. Electronic spectra and excited-state dynamics of 4-fluoro-N,N-dimethylaniline

    Article • Chemical Physics Letters, October 2013, Elsevier

    Prof. Carlos E Crespo-Hernández

  37. Role of intersystem crossing in the fluorescence quenching of 2-aminopurine 2’-deoxyriboside in solution

    Article • Photochemical & Photobiological Sciences, August 2013, Springer Science + Business Media

    Prof. Carlos E Crespo-Hernández

  38. Excited-State Dynamics in Nitro-Naphthalene Derivatives: Intersystem Crossing to the Triplet Manifold in Hundreds of Femtoseconds

    Article • The Journal of Physical Chemistry A, August 2013, American Chemical Society (ACS)

    Prof. Carlos E Crespo-Hernández

  39. In silico structure-function analysis of E. cloacae nitroreductase

    Article • Proteins Structure Function and Bioinformatics, September 2012, Wiley

    Professor Jerzy Leszczynski, Prof. Carlos E Crespo-Hernández, Dr Olexandr Isayev

  40. Subpicosecond Intersystem Crossing in Mono- and Di(organophosphine)gold(I) Naphthalene Derivatives in Solution

    Article • Journal of the American Chemical Society, September 2012, American Chemical Society (ACS)

    Prof. Carlos E Crespo-Hernández

  41. Photophysical and photochemical properties of the pharmaceutical compound salbutamol in aqueous solutions

    Article • Chemosphere, June 2011, Elsevier

    Prof. Carlos E Crespo-Hernández

  42. Synthesis, Optical Characterization, and Electrochemical Properties of Isomeric Tetraphenylbenzodifurans Containing Electron Acceptor Groups

    Article • The Journal of Physical Chemistry A, May 2011, American Chemical Society (ACS)

    Prof. Carlos E Crespo-Hernández

  43. Excited-State Dynamics in 6-Thioguanosine from the Femtosecond to Microsecond Time Scale

    Article • The Journal of Physical Chemistry, March 2011, American Chemical Society (ACS)

    Prof. Carlos E Crespo-Hernández

  44. Quenching Enhancement of the Singlet Excited State of Pheophorbide-a by DNA in the Presence of the Quinone Carboquone

    Article • Photochemistry and Photobiology, January 2011, Wiley

    Prof. Carlos E Crespo-Hernández

  45. Room-Temperature Phosphorescence of the DNA Monomer Analogue 4-Thiothymidine in Aqueous Solutions after UVA Excitation

    Article • The Journal of Physical Chemistry Letters, August 2010, American Chemical Society (ACS)

    Prof. Carlos E Crespo-Hernández

  46. Excited-State Dynamics of (Organophosphine)gold(I) Pyrenyl Isomers

    Article • The Journal of Physical Chemistry Letters, April 2010, American Chemical Society (ACS)

    Prof. Carlos E Crespo-Hernández

  47. Ultrafast spin crossover in 4-thiothymidine in an ionic liquid

    Article • Chemical Communications, January 2010, Royal Society of Chemistry

    Prof. Carlos E Crespo-Hernández

  48. On the origin of ultrafast nonradiative transitions in nitro-polycyclic aromatic hydrocarbons: Excited-state dynamics in 1-nitronaphthalene

    Article • The Journal of Chemical Physics, December 2009, American Institute of Physics

    Prof. Carlos E Crespo-Hernández

  49. Deuterium Isotope Effect on Excited-State Dynamics in an Alternating GC Oligonucleotide

    Article • Journal of the American Chemical Society, December 2009, American Chemical Society (ACS)

    Prof. Carlos E Crespo-Hernández

  50. The Excited-State Lifetimes in a G⋅C DNA Duplex are Nearly Independent of Helix Conformation and Base-Pairing Motif

    Article • ChemPhysChem, July 2009, Wiley

    Prof. Carlos E Crespo-Hernández

  51. DNA Excited-State Dynamics: From Single Bases to the Double Helix

    Article • Annual Review of Physical Chemistry, May 2009, Annual Reviews

    Prof. Carlos E Crespo-Hernández

  52. Structure–Activity Relationships in Nitro-Aromatic Compounds

    Article • January 2009, Springer Science + Business Media

    Prof. Carlos E Crespo-Hernández

  53. Ionization Energy Thresholds of Microhydrated Adenine and Its Tautomers

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

    Professor Jerzy Leszczynski, Prof. Carlos E Crespo-Hernández

  54. Ground-State Recovery Following UV Excitation is Much Slower in G·C−DNA Duplexes and Hairpins Than in Mononucleotides

    Article • Journal of the American Chemical Society, August 2008, American Chemical Society (ACS)

    Prof. Carlos E Crespo-Hernández

  55. UV excitation of single DNA and RNA strands produces high yields of exciplex states between two stacked bases

    Article • Proceedings of the National Academy of Sciences, July 2008, Proceedings of the National Academy of Sciences

    Prof. Carlos E Crespo-Hernández

  56. Environmental Photochemistry of Nitro-PAHs: Direct Observation of Ultrafast Intersystem Crossing in 1-Nitropyrene

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

    Prof. Carlos E Crespo-Hernández

  57. Theoretical Elucidation of Conflicting Experimental Data on Vertical Ionization Potentials of Microhydrated Thymine

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

    Professor Jerzy Leszczynski, Prof. Carlos E Crespo-Hernández

  58. Predicting Thymine Dimerization Yields from Molecular Dynamics Simulations

    Article • Biophysical Journal, May 2008, Elsevier

    Prof. Carlos E Crespo-Hernández

  59. Determination of Redox Potentials for the Watson−Crick Base Pairs, DNA Nucleosides, and Relevant Nucleoside Analogues

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

    Professor Jerzy Leszczynski, Prof. Carlos E Crespo-Hernández

  60. Thymine Dimerization in DNA Is an Ultrafast Photoreaction

    Article • Science, February 2007, American Association for the Advancement of Science

    Prof. Carlos E Crespo-Hernández

  61. Internal conversion to the electronic ground state occurs via two distinct pathways for pyrimidine bases in aqueous solution

    Article • Proceedings of the National Academy of Sciences, January 2007, Proceedings of the National Academy of Sciences

    Prof. Carlos E Crespo-Hernández

  62. Vertical Singlet Excitations on Adenine Dimer: A Time Dependent Density Functional Study

    Article • January 2007, American Institute of Physics

    Prof. Carlos E Crespo-Hernández

  63. Solvent-Dependent Photophysics of 1-Cyclohexyluracil:  Ultrafast Branching in the Initial Bright State Leads Nonradiatively to the Electronic Ground State and a Long-Lived 1 nπ* State

    Article • The Journal of Physical Chemistry, September 2006, American Chemical Society (ACS)

    Prof. Carlos E Crespo-Hernández

  64. Role of Sequence and Conformation on the Photochemistry and the Photophysics of A−T DNA Dimers:  An Experimental and Computational Approach

    Article • The Journal of Physical Chemistry, August 2006, American Chemical Society (ACS)

    Prof. Carlos E Crespo-Hernández

  65. Molecular spectroscopy: Complexity of excited-state dynamics in DNA (Reply)

    Article • Nature, June 2006, Nature

    Prof. Carlos E Crespo-Hernández

  66. Influence of Microhydration on the Ionization Energy Thresholds of Thymine:  Comparisons of Theoretical Calculations with Experimental Values

    Article • The Journal of Physical Chemistry A, June 2006, American Chemical Society (ACS)

    Professor Jerzy Leszczynski, Prof. Carlos E Crespo-Hernández

  67. The Influence of Microhydration on the Ionization Energy Thresholds of Uracil and Thymine

    Article • The Journal of Physical Chemistry A, October 2005, American Chemical Society (ACS)

    Professor Jerzy Leszczynski, Prof. Carlos E Crespo-Hernández

  68. Base stacking controls excited-state dynamics in A·T DNA

    Article • Nature, August 2005, Nature

    Prof. Carlos E Crespo-Hernández

  69. Ab Initio Ionization Energy Thresholds of DNA and RNA Bases in Gas Phase and in Aqueous Solution

    Article • The Journal of Physical Chemistry A, July 2004, American Chemical Society (ACS)

    Professor Jerzy Leszczynski, Prof. Carlos E Crespo-Hernández

  70. Influence of Secondary Structure on Electronic Energy Relaxation in Adenine Homopolymers

    Article • The Journal of Physical Chemistry, July 2004, American Chemical Society (ACS)

    Prof. Carlos E Crespo-Hernández

  71. Ultrafast Excited-State Dynamics in Nucleic Acids

    Article • Chemical Reviews, April 2004, American Chemical Society (ACS)

    Prof. Carlos E Crespo-Hernández

  72. Formamidopyrimidines as major products in the low- and high-intensity UV irradiation of guanine derivatives

    Article • Journal of Photochemistry and Photobiology B Biology, February 2004, Elsevier

    Prof. Carlos E Crespo-Hernández

  73. Strickler–Berg analysis of excited singlet state dynamics in DNA and RNA nucleosides

    Article • Faraday Discussions, January 2004, Royal Society of Chemistry

    Prof. Carlos E Crespo-Hernández

  74. Magnetic field-enhanced photoinization of 6-methylpurine

    Article • Chemical Physics Letters, December 2003, Elsevier

    Prof. Carlos E Crespo-Hernández

  75. Near Threshold Photo-Oxidation of Dinucleotides Containing Purines upon 266 nm Nanosecond Laser Excitation. The Role of Base Stacking, Conformation, and Sequence †

    Article • The Journal of Physical Chemistry, January 2003, American Chemical Society (ACS)

    Prof. Carlos E Crespo-Hernández

  76. The 254 nm low intensity and 266 nm laser photochemistry of adenosine.

    Article • Journal of Photochemistry and Photobiology A Chemistry, September 2002, Elsevier

    Prof. Carlos E Crespo-Hernández

  77. Photoionization of DNA and RNA Bases, Nucleosides and Nucleotides Through a Combination of One- and Two-photon Pathways upon 266 nm Nanosecond Laser Excitation¶

    Article • Photochemistry and Photobiology, January 2002, Wiley

    Prof. Carlos E Crespo-Hernández

  78. Photochemistry of Pyrene on Unactivated and Activated Silica Surfaces

    Article • Environmental Science & Technology, February 2000, American Chemical Society (ACS)

    Prof. Carlos E Crespo-Hernández

  79. Part II. Mechanism of Formation of Guanine as one of the Major Products in the 254 nm Photolysis of Guanine Derivatives: Concentration and pH Effects

    Article • Photochemistry and Photobiology, January 2000, Wiley

    Prof. Carlos E Crespo-Hernández

  80. Part I. Photochemical and Photophysical Studies of Guanine Derivatives: Intermediates Contributing to its Photodestruction Mechanism in Aqueous Solution and the Participation of the Electron Adduct

    Article • Photochemistry and Photobiology, January 2000, Wiley

    Prof. Carlos E Crespo-Hernández