120. Hoehn, S. J.; Krul, S. E.; Seth, S. K.; Crespo-Hernández, C. E. "Structure-Photophysical Property Relationships in Non-Canonical and Synthetic Nucleobases" (Invited Review), Annu. Rev. Phys. Chem. 2025, vol. 76, accepted. Access article
2024
119. Griffith, C.; Krul, S. E.; Hoehn, S. J.; Phan, T.; Crespo-Hernández, C. E. "Structural and Electronic Factors Controlling the Efficiency and Rate of Intersystem Crossing to the Triplet State in Thiophene Polycyclic Derivatives", Chem. Eur. J. 2024, e202402721 (1 of 10). Access article
Selected as a "Hot Paper". Hot Papers are chosen by the Editors for their importance in a rapidly evolving field of high current interest.
118. Griffith, C.; Mao, E.; Hoehn, S. J.; Krul, S. E.; Crespo-Hernández, C. E. "Carbon-Sulfur Bond Elongation as the Promoting Reaction Coordinate in the Efficient Sub-Nanosecond Intersystem Crossing in Thianaphthene Derivatives", Phys. Chem. Chem. Phys. 2024, 26, 23457-23467. Access article
117. Seth, S. K.; Acquah, C.; Levi, L.; Jockusch, S.; Crespo-Hernández, C. E. "Development of 5-(5-Phenylthiophen-2-yl)-6-Azauridine as a Dual Phototheranostic and Cancer Cell Inhibitory Agent", 2024, to be submitted. Access article
Pre-print: Seth, S. K.; Acquah, C.; Levi, L.; Jockusch, S.; Crespo-Hernández, C. E. "Development of 5-(5-Phenylthiophen-2-yl)-6-Azauridine as a Dual Phototheranostic and Cancer Cell Inhibitory Agent", ChemRxiv2024, https://doi.org/10.26434/chemrxiv-2024-vwhv3. Access article
116. Acquah, C.; Hoehn, S. J.; Krul, S. E.; Jockusch, S.; Yang, S.; Seth, S. K.; Lee, E.; Xiao, H.; Crespo-Hernández, C. E. "Electronic Relaxation Pathways in Thio-Acridone and Thio-Coumarin: Two Heavy-Atom-Free Photosensitizers Absorbing Visible Light", Phys. Chem. Chem. Phys. 2024, 26, 28980-28991. Access article
Pre-print: Maldonado, K.; Díaz-González, K.; Seth, S. K.; Crespo-Hernández, C. E. "Effect of Tautomerization in the Photophysics of 5-(thiophen-2-yl)-6-aza Uracil", ChemRxiv 2024, https://doi.org/10.26434/chemrxiv-2024-r5bs1. Access article
115. Valverde, D.; Hoehn, S. J.; Koyanagui, E. D.; Krul, S. E.; Crespo-Hernández, C. E.; Borin, A. C. "Theoretical and experimental evaluation of the electronic relaxation mechanisms of 2-pyrimidinone: the primary UVA absorbing moiety in DNA and RNA (6-4) photolesion", ChemPhotoChem 2024, e202400070 (1 of 13). Access article
114. Acquah, C.; Pabis, Z.; Seth, S. K.; Levi, L.; Crespo-Hernández, C. E. "Low Cost, 3D Printed Irradiation System for In Vitro Photodynamic Therapy Experiments", Photochem. Photobiol. 2024, 100, 530-540. Access article
Selected by the American Photobiology Society as "Jornal Article of the Month" and featured on their LinkedIn site as "A fascinating new journal study".
113. Crespo-Hernández, C. E. "Editorial: Special issue on nucleic acid photophysics", Photochem. Photobiol. 2024, 100, 257-261. Access article
This editorial is part of a Special Issue on "Nucleic Acid Photophysics" published in Photochemistry and Photobiology and highlighted with the journal's Front Cover.
112. Ortiz-Rodríguez, L. A.; Caldero-Rodríguez, N. E.; Seth, S. K.; Díaz-González, K.; Crespo-Hernández, C. E. "Electronic Relaxation Mechanism of 9-Methyl-2,6-Diaminopurine and 2,6-Diaminopurine-2’-Deoxyribose in Solution", Photochem. Photobiol. 2024, 100, 393-403. Access article
This article is part of a Special Issue on "Nucleic Acid Photophysics" published in Photochemistry and Photobiology.
Pre-print: Ortiz-Rodríguez, L. A.; Caldero-Rodríguez, N. E.; Seth, S. K.; Díaz-González, K.; Crespo-Hernández, C. E. "Electronic Relaxation Mechanism of 9-Methyl-2,6-Diaminopurine and 2,6-Diaminopurine-2’-Deoxyribose in Solution", ChemRxiv 2023, DOI: https://doi.org/10.26434/chemrxiv-2023-d5mn9. Access article
111. Finol, E.; Krul, S. E.; Hoehn, S. J.; Crespo-Hernández, C. E. "The mRNACalc web server accounts for the hypochromicity of modified nucleosides and enables the accurate quantification of nucleoside-modified mRNA", Mol. Ther. Nucleic Acids 2024, 35, 1-7. Access article
Pre-print: Finol, E.; Krul, S. E.; Hoehn, S. J.; Crespo-Hernández, C. E. "The mRNACalc web server accounts for the hypochromicity of modified nucleosides and enables the accurate quantification of nucleoside-modified mRNA", bioRxiv 2023, DOI: https://doi.org/10.1101/2023.07.27.550903. Access article
110. Beiharz, S.; Vermut-Young, M.; Anderson, K.; Vinella, D.; Pahuja, A.; Yuan, Y.; Raheja, K.; Crespo-Hernández, C. E.; Karayilan, M. "Summer Research Plan in Polymer Chemistry Laboratory for ACS Project SEED Program", J. Chem. Ed. 2024, 101, 1120-1129. Access article
2023
109. Hoehn, S. J.; Krul, S. E.; Pogharian, M. M.; Mao, E.; Crespo-Hernández, C. E. "Photochemical Stability of 5-Methylcytidine Relative to Cytidine: Photophysical Insight for mRNA Therapeutic Applications", J. Phys. Chem. Lett. 2023, 14, 10856-10862. Access article
Pre-print: Hoehn, S. J.; Krul, S. E.; Pogharian, M. M.; Mao, E.; Crespo-Hernández, C. E. "Photochemical Stability of 5-Methylcytidine Relative to Cytidine: Photophysical Insight for mRNA Therapeutic Applications", ChemRxiv 2023, DOI: https://doi.org/10.26434/chemrxiv-2023-v0q44. Access article
108. Ortiz-Rodríguez, L. A.; Fang, Y.-G.; Niogret, G.;Hadidi, K.; Hoehn, S. J.; Folkwein, H. J.; Jockusch, S.; Tor, Y.; Cui, G.; Levi, L.; Crespo-Hernández, C. E., "Thieno[3,4-d]pyrimidin-4(3H)-thione: An Effective, Oxygenation Independent, Heavy-Atom-Free Photosensitizer for Cancer Cells", Chem. Sci. 2023, 14, 8831-8841. Access article
Pre-print: Ortiz-Rodríguez, L. A.; Fang, Y.-G.; Niogret, G.;Hadidi, K.; Tor, Y.; Cui, G.; Crespo-Hernández, C. E., "Thionation of a Fluorescent Thieno[3,4-d]pyrimidine Derivative for the Development of a Heavy-Atom-Free Photosensitizer", ChemRxiv 2021, https://doi.org/10.26434/chemrxiv.14775096.v1. Access article
107. Griffith, C.; Krul, S. E.; Hoehn, S. J.; Mao, E.; Sleyko, G.; Crespo-Hernández, C. E. "Excited State Dynamics of Dibenzothiophene Derivatives", J. Phys. Chem. B 2023, 127, 5924–5932. Access article
Pre-print: Griffith, C.; Krul, S. E.; Hoehn, S. J.; Mao, E.; Sleyko, G.; Crespo-Hernández, C. E. "Excited State Dynamics of Dibenzothiophene Derivatives", ChemRxiv 2023, https://doi.org/10.26434/chemrxiv-2023-kwwr2. Access article
106. Krul, S. E.; Costa, G. J.; Hoehn, S. J.; Valverde, D.; Olivera, L. M. F.; Borin, A. C.; Crespo-Hernández, C. E. "Resolving Ultrafast Photoinitiated Dynamics of the Hachimoji 5-Aza-7-Deazaguanine Nucleobase: Impact of Synthetically Expanding the Genetic Alphabet", Photochem. Photobiol. 2023, 99, 693-705. Access article
This invited article is part of a Special Issue celebrating the 50th Anniversary of the American Society for Photobiology.
Highlighted by:
de Vries, M. S.;"Understanding How a New Hachimoji Nucleobase Alters Photodynamics of Genetic Building Blocks", Photochem. Photobiol. 2023, 99, 857-859. Access article
105. Ortín-Fernández, J.; Caldero-Rodríguez, N. E.; Arpa, Crespo-Hernández, C. E.; Martínez-Fernández, L.; Corral, I., "Photophysical Characterization of Isoguanine in a Prebiotic-Like Environment", Chem. Eur. J. 2023, 29, e202203580. Access article
2022
104. Caldero-Rodríguez, N. E.; Arpa, E. M.; Cárdenas, D.; Martínez-Fernández, L.; Jockush, S.; Seth, S.; Corral, I.; Crespo-Hernández, C. E., "2-Oxopurine Riboside: A Dual Fluorescent Analog and Photosensitizer for RNA/DNA Research", J. Phys. Chem. B 2022, 126, 4483-4490. Access article
103. Vos, E.; Hoehn, S. J.; Krul, S. E.; Crespo-Hernández, C. E., González-Vázquez, J.; Corral, I. "Disclosing the role of C4-oxo substitution in the photochemistry of DNA and RNA pyrimidine monomers: Formation of photoproducts from the vibrationally-excited ground state", J. Phys. Chem. Lett. 2022, 13, 2000-2006. Access article
Pre-print: Vos, E.; Hoehn, S. J.; Krul, S. E.; Crespo-Hernández, C. E., González-Vázquez, J.; Corral, I. "Disclosing the role of C4-oxo substitution in the photochemistry of DNA and RNA pyrimidine monomers: Formation of photoproducts from the vibrationally-excited ground state", ChemRxiv 2022, https://doi.org/10.26434/chemrxiv-2022-qmnkv. Access article
102. Caldero-Rodríguez, N. E.; Crespo-Hernández, C. E., "Excited State Dynamics of 2'-Deoxyisoguanosine and Isoguanosine in Aqueous Solutions", Phys. Chem. Chem. Phys. 2022, 24, 6769-6781. Access article
101. Ortiz-Rodríguez, L. A.; Hoehn, S. J.; Crespo-Hernández, C. E., "On the Photostability of Cyanuric Acid and its Candidature as a Prebiotic Nucleobase", Molecules 2022, 27(4), 1184. Access article
100. Caldero-Rodríguez, N. E.; Ortiz-Rodríguez, L. A.; Gonzalez, A. A.; Crespo-Hernández, C. E., "Photostability of 2,6-Diaminopurine and its 2’-Deoxyriboside Investigated by Femtosecond Transient Absorption Spectroscopy", Phys. Chem. Chem. Phys. 2022, 24, 4204-4211. Access article
Highlighted by the editors of PCCP as one of the hottest papers published in 2022.
99. Hoehn, S. J.; Krul, S. E.; Skory, B. J.; Crespo-Hernández, C. E., "Increased Photostability of the Integral mRNA Vaccine Component N1-Methylpseudouridine Compared to Uridine", Chem. Eur. J. 2022, 28, e202103667. Access article
98. Hoehn, S. J.; Caldero-Rodríguez, N. E.; Crespo-Hernández, C. E., “Photochemistry of RNA, RNA Monomers and their Plausible Prebiotic Precursors” (Invited Review Chapter), In DNA Photodamage: From Light Absorption to Cellular Responses and Skin Cancer; Douki, T.; Improta, R., eds., RSC publishing in Comprehensive Series in Photochemical & Photobiological Sciences, 2022, Chapter 9, pp. 197-226. Access article
Pre-print: Hoehn, S. J.; Caldero-Rodríguez, N. E.; Crespo-Hernández, C. E., “Photochemistry of RNA, RNA Monomers and their Plausible Prebiotic Precursors” (Invited Review Chapter), In DNA Photodamage: From Light Absorption to Cellular Responses and Skin Cancer; Douki, T.; Improta, R., eds., RSC publishing in Comprehensive Series in Photochemical & Photobiological Sciences, 2022, Chapter 9, pp. 197-226. Access article
97. Ortiz-Rodríguez, L. A.; Ortiz-Zayas, G.; Pollum, M.; Hoehn, S. J.; Jockusch, S.; Crespo-Hernández, C. E., "Intramolecular Charge Transfer in the Azathioprine Prodrug Quenches Intersystem Crossing to the Reactive Triplet State in 6-Mercaptopurine", Photochem. Photobiol. 2022, 98, 617-632. Access article
96. Ortiz-Rodríguez, L. A.; Hoehn, S. J.; Acquah, C.; Abbass, N.; Waidmann, L.; Crespo-Hernández, C. E., "Femtosecond Intersystem Crossing to the Reactive Triplet State of the 2,6-Dithiopurine Skin Cancer Photosensitizer", Phys. Chem. Chem. Phys. 2021, 23, 25048-25055. Access article
Highlighted by the editors of PCCP as one of the hottest papers published in 2021.
95. Sharma, D.; Zagore, L. L.; Brister, M. M.; Ye, X.; Crespo-Hernández, C. E.; Licatalosi, D. D.; Jankowsky, E., "The Kinetic Landscape of an RNA Binding Protein in Cells", Nature, 2021, 591, 152–156. Access article
94. Ortiz-Rodríguez, L. A.; Hoehn, S. J.; Loredo, A.; Wang, L.; Xiao, H.; Crespo-Hernández, C. E., "Electronic Relaxation Pathways in Heavy-Atom-Free Photosensitizers Absorbing Near-Infrared Radiation and Exhibiting High Yields of Singlet Oxygen Generation", J. Am. Chem. Soc. 2021, 143, 7, 2676–2681. Access article
93. Krul, S. E.; Hoehn, S. J.; Feierabend, K.; Crespo-Hernández, C. E., " Excited State Dynamics of 7-Deazaguanosine and Guanosine 5’ Monophosphate", J. Chem. Phys. 2021, 154, 075103 Access article
This paper is dedicated to Distinguished University Professor Mary D. Barkley, a superb biophysical chemist who developed and applied innovative approaches to investigate protein and DNA structure and interactions. She is an influential mentor and advocate for women and under-represented groups in the sciences. Barkley was the first woman professor in the Department of Chemistry and the first woman to hold an endowed chair in the natural sciences at CWRU.
2020
92. Ortiz-Rodríguez, L. A.; Crespo-Hernández, C. E., "Thionated Organic Compounds as Emerging Heavy-Atom-Free Photodynamic Therapy Agents", Chem. Sci. 2020, 11, 11113-11123. Invited Minireview. Access article
Pre-print: Krul, S. E.; Hoehn, S. J.; Feierabend, K.; Crespo-Hernández, C. E., " Excited State Dynamics of 7-Deazaguanosine and Guanosine 5’ Monophosphate", ChemRxiv., 2020, v2, https://doi.org/10.26434/chemrxiv.13262681.v1 Access article
91. Ortiz-Rodríguez, L. A.; Reichardt, C.; Hoehn, S. J.; Jockusch, S.; Crespo-Hernández, C. E., "Detection of the thietane precursor in the UVA formation of the DNA 6-4 photoadduct", Nature Commun. 2020, 11, 3599. Access article
90. Arpa, E. M.; Brister, M. M.; Hoehn, S. J.; Crespo-Hernández, C. E.; Corral, I., "On the Origin of the Photostability of DNA and RNA Monomers: Excited State Relaxation Mechanism of the Pyrimidine Chromophore", J. Phys. Chem. Lett. 2020, 11, 5156-5161. Access article
89. Sharma, D.; Zagore, L. L.; Brister, M. M.; Ye, X.; Crespo-Hernández, C. E.; Licatalosi, D. D.; Jankowsky, E., "The Kinetic Landscape of an RNA Binding Protein in Cells", bioRxiv, 2020, (pre-print) DOI: 10.1101/2020.05.11.089102. Access article
88. Brister, M. M.; Gustavsson, T.; Crespo-Hernández, C. E., "Excited-State Lifetimes of Sulfur-Substituted DNA and RNA Monomers Probed Using the Femtosecond Fluorescence Up-Conversion Technique", Molecules, 2020, 25, 584 (16 pages). Invited Manuscript. Submitted as part of the special issue on "Fluorescence Spectroscopy of Biomolecules." Access article
2019
Pre-print: Luong, D.; Ortiz-Rodríguez, L. A.; Crespo-Hernández, C. E., "Time Dependent Density Functional Theory Calculations of 4-Thiothymidine-Containing DNA Dinucleotides", ChemRxiv, 2019, DOI.org/10.26434/chemrxiv.8224292.v1. Access article
87. Martínez-Fernández, L.; Arslancan, S.; Ivashchenko, D.; Crespo-Hernández, C. E.; Corral, I., "Tracking the Origin of Photostability in Purine Nucleobases: the Photophysics of 2-Oxopurine", Phys. Chem. Chem. Phys. 2019, 21, 13467-13473. Access article
Highlighted by the editors of PCCP as one of the hottest papers published in 2019.
86. Ashfold, M.; Bai, S.; Bradforth, S.; Chabera, P.; Cina, J.; ; Crespo-Hernández, C. E.; et al., "Photo-Protection/Phot-Damage in Natural Systems: General Discussion", Faraday Discuss. 2019, 216, 538-563. Access article
85. Ashfold, M.; Bender, J.; Bittner, E. Cina, J.; Crespo-Hernández, C. E.; et al., "Photovoltaics and Bio-Inspired Light Harvesting: General Discussion", Faraday Discuss. 2019, 216, 269-300. Access article
84. Brister, M. M.; Crespo-Hernández, C. E., "Excited-State Dynamics in the RNA Nucleotide Uridine 5'-Monophosphate Investigated using Femtosecond Broadband Transient Absorption Spectroscopy", J. Phys. Chem. Lett. 2019, 10, 2156-2161. Access article
For an open access, pre-print version see: Brister, M. M.; Crespo-Hernández, C. E., "Excited-State Dynamics in the RNA Nucleotide Uridine 5'-Monophosphate Investigated by Femtosecond Broadband Transient Absorption Spectroscopy", ChemRxiv, 2019, DOI.org/10.26434/chemrxiv.7860023.v1. Access article
83. Ashwood, B.;† Pollum, M.; Crespo-Hernández, C. E., "Photochemical and Photodynamical Properties of Sulfur-Substituted Nucleic Acid Bases", Photochem. Photobiol. 2019, 95, 33-58. Invited Review; submitted as part of the Special Issue honoring the 55th Anniversary of Photochemistry and Photobiology. Access article
Among the Top Cited Papers in Photochemistry and Photobiology between January 2018 to December 2019.
Among the Top 20 Downloaded Papers in Photochemistry and Photobiology between January 2017 to December 2018.
2018
82. Farrell, K. M.; Brister, M. M.; Pittelkow, M.; Sølling, T. I.; Crespo-Hernández, C. E., "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", J. Am. Chem. Soc. 2018, 140, 11214-11218. Access article or here
81. DiScipio, R.; Sauvé, G.; Crespo-Hernández, C. E., "Photodynamics in Metal-Chelating Tetraphenylazadipyrromethene Complexes: Implications for Their Potential Use as Photovoltaic Materials", J. Phys. Chem. C 2018, 122, 13579-13589. Invited Manuscript; submitted as part of the themed collection honoring Prof. Prashant V. Kamat Festschrift. Access article
80. Pollum, M.; Minh, L.; Jockusch, S.; Crespo-Hernández, C. E., "Dithionated Nucleobases as Effective Photodynamic Agent Against Human Epidermoid Carcinoma Cells", ChemMedChem 2018, 13, 1044-1050. Access article
Selected by the editors of Wiley as part of a Virtual Issue titled "MedChem in the USA".
Articles in this collection are free to download until September 2018. Access the collection here.
79. Chandra, A.; Cogdell, R.; Crespo-Hernández, C. E.; et al., "Light Induced Damage and Repair in Nucleic Acids and Proteins: General Discussion", Faraday Discuss. 2018, 207, 389-408. Access article
78. Ashwood, B.; Ortiz-Rodríguez, L. A.; Crespo-Hernández, C. E., "Photochemical Relaxation Pathways of S6-Methylthioinosine and O6-Methylguanosine in Solution", Faraday Discuss. 2018, 207, 351-374. Invited Manuscript; submitted as part of the themed collection: "Photoinduced Processes in Nucleic Acids and Proteins". Access article
77. Bhat, V.; Cogdell, R.; Crespo-Hernández, C. E.; et al., "Photocrosslinking between Nucleic Acids and Proteins: General Discussion", Faraday Discuss. 2018, 207, 283-306. Access article
76. Chattopadhyay, A.; Cogdell, R.; Crespo-Hernández, C. E.; et al., "Light Induced Charge and Energy Transport in Nucleic Acids and Proteins: General Discussion", Faraday Discuss. 2018, 207, 153-180. Access article
2017
75. Crespo-Hernández, C. E., "Photorelaxation and Photorepair Processes in Nucleic and Amino Acid Derivatives" (Editorial), Molecules 2017, 22, 2203. Access article
74. Brister, M. M.; Piñero-Santiago, L. E.; Morel, M.; Arce, R.; Crespo-Hernández, C. E., "Photochemical Relaxation Pathways in Dinitropyrene Isomer Pollutants", J. Phys. Chem. A 2017, 121, 8197-8206. Access article
73. Yang, W.; Ashwood, B.; Zhao, J.; Ji, W.; Escudero, D.; Jacquemin, D.; Crespo-Hernández, C. E., "Ultrafast Excited-State Dynamics in Cyclometalated Ir(III) Complexes Coordinated with Perylenebisimide and Its π-Radical Anion Ligands", J. Phys. Chem. C 2017, 121, 21184-21198. Access article
72. Ashwood, B.; Ortiz-Rodríguez, L. A.; Crespo-Hernández, C. E., "Excited-State Dynamics of O6-Methylguanosine: Impact of O6-Methylation on the Photophysics of Guanine Monomers", J. Phys. Chem. Lett. 2017, 8, 4380–4385. Access article
71. Tolbert, M. ; Morgan, C. E.; Pollum, M.; Crespo-Hernández, C. E.; Li, Mei-Ling; Brewer, G.; Tolbert, B. S. "HnRNP A1 Alters the Structure of a Conserved Enterovirus IRES Domain to Stimulate Viral Translation", J. Mol. Biol. 2017, 429, 2841-2858. (Featured Article) Access article
Highlighted by:
Schroeder, S. J.;"Stack Locally and Act Globally: A Few Nucleotides Make All the Difference in Enterovirus 71 IRES Binding hnRNAP A1 and Infectious Phenotypes: Commentary on “HnRNP A1 Alters the Structure of a Conserved Enterovirus IRES Domain to Stimulate Viral Translation”", J. Mol. Biol. 2017, 429, 2859-2862. Access article
70. Sánchez-Rodríguez, J. A.; Mohamadzade, A.; Mai. S.; Ashwood, B.; Pollum, M.; Marquetand, P.; González, L.; Crespo-Hernández, C. E.; Ullrich, S., "2-Thiouracil Intersystem Crossing Photodynamics Studied by Wavelength-Dependent Photoelectron and Transient Absorption Spectroscopies", Phys. Chem. Chem. Phys. 2017, 19, 19756-19766. Invited Manuscript; submitted as part of the themed issue on the "XUV/XRay
Light and Fast Ions for Ultrafast Chemistry".Access article
69. DiScipio, R.; Santiago, R. Y.; Taylor, D.; Crespo-Hernández, C. E., "Electronic Relaxation Pathways of the Biologically Relevant Pterin Chromophore", Phys. Chem. Chem. Phys. 2017, 19, 12720-12729. Access article
Highlighted by the editors of PCCP as one of the hottest papers published in 2017.
68. Mai, S.; Ashwood, B.; Marquetand, P; Crespo-Hernández, C. E.; González, L., "Solvatochromic Effects on the Absorption Spectrum of 2-Thiocytosine", J.Phys. Chem. B 2017, 121, 5187-5196. Access article
67. Ashwood, B.; Jockusch, S.; Crespo-Hernández, C. E., "Photochemical Reactivity of dTPT3: A Crucial Nucleobase Derivative in the Development of Semi-Synthetic Organisms", J. Phys. Chem. Lett. 2017, 8, 2387−2392. Access article
66. Ashwood, B.; Jockusch, S.; Crespo-Hernández, C. E., "Excited-State Dynamics of the Thiopurine Prodrug 6-Thioguanine: Can N9-Glycosylation Affects Its Phototoxic Activity?", Molecules 2017, 22, 379 (15 pages). Submitted as part of the special issue on "Experimental and Computational Photochemistry of Bioorganic Molecules." Access article
Highlighted as one of the most cited papers in the journal Molecules between 2018 to 2019.
65. Martínez-Fernández, L.; Granucci, G.; Pollum, M.; Crespo-Hernández, C. E.; Persico, M.; Corral, I., "Decoding the Molecular Basis for the Population Mechanism of the Triplet Phototoxic Precursors in UVA Light-Activated Pyrimidine Anticancer Drugs", Chem. Eur. J. 2017, 23, 2619-2627. Access article
Highlighted as a ‘Highly Cited Paper’ by Clarivate Analytics (previously, Thomson Reuters Web of Science) in 2017.
2016
64. Brister, M. M.; Piñero-Santiago, L. E.; Morel, M.; Arce, R.; Crespo-Hernández, C. E., "The Photochemical Branching Ratio in 1,6-Dinotropyrene Depends on Excitation Energy", J. Phys. Chem. Lett. 2016, 7, 5086-5092. Access article
63. Mai, S.; Pollum, M.; Martínez-Fernández, L.; Dunn, N.; Marquetand, P.; Corral, I.; Crespo-Hernández, C. E.; González, L., "The Origin of Efficient Triplet State Population in Sulfur-Substituted Nucleobases", Nature Commun. 2016, 7, 13077 (DOI: 10.1038/ncomms13077). Access article
62. Pollum, M.; Ashwood, B.; Jockusch, S.; Lam, M; Crespo-Hernández, C. E., "Unintended Consequences of Expanding the Genetic Alphabet", J. Am. Chem. Soc. 2016, 138, 11457-11460. Access article
61. Ashwood, B.; Pollum, M.; Crespo-Hernández, C. E., "Can a Six-Letter Alphabet Increase the Likelihood of Photochemical Assault to the Genetic Code?", Chem. Eur. J. 2016, 22, 16648-16656. Access article
60. Yu, H. Sanchez-Rodriguez, J. A.; Ullrich, S.; Pollum, M.; Crespo-Hernández, C. E.; Mai. S.; Marquetand, P.; González, L., "Internal Conversion and Intersystem Crossing Pathways in UV Excited, Isolated Uracils and Their Implications in Prebiotic Chemistry", Phys. Chem. Chem. Phys. 2016, 18, 20168-20176. Invited Manuscript; submitted as part of the themed issue on the "Prebiotic Chemistry and the Molecular Origins of Life".Access article
59. Pollum, M.; Guan, L.; Ahsanuddin, S.; Baron, E.; Lam, M.; Crespo-Hernández, C., "Photoactivation of sulfur-modified DNA and RNA analogs induces cytotoxicity in epidermoid carcinoma cells", J. Invest. Dermatol. 2016, 136, S105. Access article
58. Brister, M.; Pollum, M.; Crespo-Hernández, C. E., "Photochemical Etiology of Promising Ancestors of the RNA Nucleobases", Phys. Chem. Chem. Phys. 2016, 18, 20097-20103. Invited Manuscript; submitted as part of the themed issue on the "Prebiotic Chemistry and the Molecular Origins of Life".Access article
57. Pollum, M.; Ortiz-Rodríguez, L. A.; Jockusch, S.; Crespo-Hernández, C. E., "The Triplet State of 6-Thio-2’-deoxyguanosine: Intrinsic Properties and Reactivity toward Molecular Oxygen", Photochem. Photobiol. 2016, 92, 286-292. Access article
Selected as one of the top papers published in the journal Photochemistry & Photobiology, as part of a virtual issue celebrating its 55th anniversary.
56. Brister, M.; Crespo-Hernández, C. E. "Direct Observation of Triplet-State Population Dynamics in the RNA Uracil Derivative 1-Cyclohexyluracil", J. Phys. Chem. Lett. 2015, 6, 4404-4409. Access article
55. Pollum, M.; Jockusch, S.; Crespo-Hernández, C. E. "Increase in the Phooreactivity of Uracil Derivatives by Doubling Thionation", Phys. Chem. Chem. Phys. 2015, 17, 27851-27861. Access article
54. Crespo-Hernández, C. E.; Martínez-Fernández, L.; Rauer, C.; Reichardt, C.; Mai, S.; Pollum, M.; Marquetand, P.; González, L.; Corral, I. "Electronic and Structural Elements that Regulate the Excited-State Dynamics in Purine Nucleobase Derivatives", J. Am. Chem. Soc. 2015, 137, 4368-4381. Access article
53. Pollum, M.; Martínez-Fernández, L.; Crespo-Hernández, C. E.; "Photochemistry of Nucleic Acid Bases and their Thio- and Aza-Analogues in Solution", Top. Curr. Chem. 2015, 355, 245-327. Invited Review Chapter. Access article
Highlighted by Bookmatrix as the most downloaded chapter in 2018.
52. Pollum, M.; Jockusch, S.; Crespo-Hernández, C. E.; "2,4-Dithiothymine as a Potent UVA Chemotherapeutic Agent", J. Am. Chem. Soc. 2014, 136, 17930-17933. Access article
51. Pollum, M.; Crespo-Hernández, C. E.; "Communication: The dark singlet state as a doorway state in the ultrafast and efficient intersystem crossing dynamics in 2-thiothymine and 2-thiouracil", J. Chem. Phys. 2014, 140, 071101. Access article
2013
50. Reichardt, C.; Wen, C.; Vogt, R. A.; Crespo-Hernández, C. E.; "Role of Intersystem Crossing in the Fluorescence Quenching of 2-Aminopurine 2'-deoxyriboside in Solution", Photochem. Photobiol. Sci. 2013, 12, 1341-1350. Invited Manuscript; submitted as part of the themed issue on the "Interaction of UV Radiation with DNA". Access article
49. Crespo-Hernández, C. E.; Vogt, R. A.; Sealey, B.;† "On the Primary Reaction Pathways in the Photochemistry of Nitro-Polycyclic Aromatic Hydrocarbons", Mod. Chem. Appl. 2013, 1, 106. † Fellow of the ACS Project SEED Program for economically disadvantage high school students. doi: 10.4172/ 2329-6798 .1000106 or Access article
48. Fujiwara, T.; Reichardt, C.; Vogt, R. A.; Zgierski, M. Z.; Crespo-Hernández, C. E.; Lim, E. C. "Electronic Spectra and Excited-State Dynamics of 4-Fluoro-N,N-dimethylaniline", Chem. Phys. Lett. 2013, 586, 70-75. Access article
47. Vogt, R. A.; Reichardt, C.; Crespo-Hernández, C. E.; "Excited-State Dynamics in Nitro-Naphthalene Derivatives: Intersystem Crossing to the Triplet Manifold in Hundreds of Femtoseconds", J. Phys. Chem. A 2013, 117, 6580-6588. Access article
46. Vogt, R. A.; Crespo-Hernández, C. E.; "Conformational Control in the Population of the Triplet State and Photoreactivity of Nitronaphthalene Derivatives", J. Phys. Chem. A 2013, 117, 14100-14108. Access article
2012
45. Vogt, R. A.; Gray, T. G.; Crespo-Hernández, C. E.;"Subpicosecond Intersystem Crossing in Mono- and Di-(Organophosphine)gold(I) Naphthalene Derivatives in Solution", J. Am. Chem. Soc. 2012, 134, 14808–14817. Access article
44. Isayev, O.; Crespo-Hernández, C. E.;Gorb, L.; Hill, F. C.; Leszczynski, J.; "In Silico Structure-Function Analysis of E. cloacae Nitroreductase", Proteins 2012, 80, 2728-2741. Access article
2011
43. Reichardt, C.; Guo, C.; Crespo-Hernández, C. E.;"Excited-State Dynamics in 6-Thioguanosine from the Femtosecond to Microsecond Time Scale", J. Phys. Chem. B 2011, 115, 3263-3270. Access article
42. Dodson, L. G.;† Vogt, R. A.; Marks, J.;† Reichardt, C.; Crespo-Hernández, C. E.;"Photophysical and Photochemical Properties of the Pharmaceutical Compound Salbutamol in Aqueous Solutions", Chemosphere 2011, 83, 1513-1523. † Participated as undergraduate student. Access article
41. Santos-Pérez, J.; Crespo-Hernández, C. E.; Reichardt, C.; Cabrera, C. R.; Feliciano-Ramos, I.; Arroyo-Ramírez, L.; Meador, M. A.; "Synthesis, Optical Characterization, and Electrochemical Properties of Isomeric Tetraphenylbenzodifurans Containing Electron Acceptor Groups", J. Phys. Chem. A 2011, 115, 4157-4168. Access article
40. Díaz-Espinosa, Y.; Crespo-Hernández, C. E.; Alegría, A. E.; García, C.; Arce R.; "Quenching Enhancement of the Singlet Excited State of Pheophorbide-a by DNA in the Presence of the Quinone Carboquone", Photochem. Photobiol. 2011, 87, 275-283. Access article
2010
39. Reichardt, C.; Crespo-Hernández, C. E.; "Room-Temperature Phosphorescence of the DNA Monomer Analogue 4-Thiothymidine in Aqueous Solutions after UVA Excitation", J. Phys. Chem. Lett. 2010, 1, 2239-2243.Access article
38. Reichardt, C.; Crespo-Hernández, C. E.; "Ultrafast Spin Crossover in 4-Thiothymidine in an Ionic Liquid", Chem. Comm. 2010, 46, 5963-5965.Access article
37. Vogt, R. A.; Peay, M. A.; Gray, T. G.; Crespo-Hernández, C. E.; "Excited-State Dynamics of (Organophosphine)Gold(I) Pyrenyl Isomers", J. Phys. Chem. Lett. 2010, 1, 1205-1211.Access article
2009
36. Reichardt, C.; Vogt, R. A.; Crespo-Hernández, C. E.; "On the Origin of Ultrafast Nonradiative Transitions in Nitro-PAHs: Excited-State Dynamics in 1-Nitronaphthalene", J. Chem. Phys. 2009, 131, 224518.Access article
35. de La Harpe, K.; Crespo-Hernández, C. E.; Kohler, B.; "Deuterium Isotope Effect on Excited-State Dynamics in an Alternating GC Oligonucleotide", J. Am. Chem. Soc. 2009, 131, 17557-17559.Access article
34. Vogt, R. A.; Rahman, S.;† Crespo-Hernández, C. E., "Structure-Activity Relationships in Nitro-Aromatic Compounds", In Practical Aspects of Computational Chemistry. Methods, Concepts and Applications, Leszczynski, J.; Shukla, M. K., eds., Springer, Netherlands, 2009, pp. 217-240. † Participated as undergraduate student.Access article
33. de La Harpe, K.; Crespo-Hernández, C. E.; Kohler, B., "The Excited-State Lifetimes in a G•C DNA Duplex are Nearly Independent of Helix Conformation and Base-Pairing Motif", ChemPhysChem (Special Issue in Biophysics) 2009, 10, 1421-1425. Access article
32. Middleton, C. T.; de La Harpe, K.; Su, C.; Law, Y. K.; Crespo-Hernández, C. E.; Kohler, B., "DNA Excited-State Dynamics: From Single Bases to the Double Helix", Annu. Rev. Phys. Chem. 2009, 60, 217-239. Highly Cited Paper according to Thomson Reuters Web of Sceince Essential Science Indicators. Access article
2008
31. Close, D. M.; C. E. Crespo-Hernández; L. Gorb; J. Leszczynski, "Ionization Energy Thresholds of Microhydrated Adenine and Its Tautomers", J. Phys. Chem. A 2008, 112, 12702-12706. Access article
30. C. E. Crespo-Hernández; K. de La Harpe; B. Kohler; "Ground-State Recovery Following UV Excitation is Much Slower in G·C-DNA Duplexes and Hairpins Than in Mononucleotides", J. Am. Chem. Soc. 2008, 130, 10844-10845. Access article
29. C. E. Crespo-Hernández; Burdzinski, G.; Arce, R.; "Environmental Photochemistry of Nitro-PAHs: Direct Observation of Ultrafast Intersystem Crossing in 1-Nitropyrene", J. Phys. Chem. A 2008, 112, 6313-6319. Access article
28. T. Takaya; C. Su; K. de La Harpe; C. E. Crespo-Hernández; B. Kohler; "UV Excitation of DNA and RNA Strands Produces High yields of exciplex states between two stacked bases", Proc. Natl. Acad. Sci. USA 2008, 105, 10285-10290. Access article
27. Close, D. M.; C. E. Crespo-Hernández; L. Gorb; J. Leszczynski, "Theoretical elucidation of conflicting experimental data on vertical ionization potentials of microhydrated thymine", J. Phys. Chem. A 2008, 112, 4405-4409. (SELECTED AS A HIGH-IMPACT LETTER) Access article
26. Y. K. Law; J. Azadi;† C. E. Crespo-Hernández; E. Olmon;† B. Kohler; "Prediction of Thymine Dimerization Yields from Molecular Dynamics Simulations", Biophysical J. 2008, 94, 3590-3600. † Participated as undergraduate student.Access article
2007
25. C. E. Crespo-Hernández; C. N. J. Marai,† "Vertical Singlet Excitations on Adenine Dimer: A Time Dependent Density Functional Study", AIP Conference Proceedings, 2007, 963, 607-610. † Participated as undergraduate student.Access article
24. C. E. Crespo-Hernández; D. M. Close; L. Gorb; J. Leszczynski, "Determination of Redox Potentials for the Watson-Crick Base Pairs, DNA Nucleosides, and Relevant Nucleosides Analogs", J. Phys. Chem. B 2007, 111, 5386-5395. Access article
23. W. J. Schreier; T. E. Schrader; F. O. Koller; P. Gilch; C. E. Crespo-Hernández; V. N. Swaminathan; T. Carell; W. Zinth; B. Kohler, "Thymine Dimerization in DNA is an Ultrafast Photoreaction", Science 2007, 315, 625-629. Highly Cited Paper according to Thomson Reuters Web of Sceince Essential Science Indicators. Access article
22. P. M. Hare; C. E. Crespo-Hernández; B. Kohler, "Internal Conversion to the Electronic Ground State Occurs via Two Distinct Pathways for Pyrimidine Bases in Aqueous Solution", Proc. Natl. Acad. Sci. USA 2007, 104, 435-440. Access article
2006
21. P. M. Hare; C. E. Crespo-Hernández; B. Kohler, "Solvent-Dependent Photophysics of 1-cyclohexyluracil: Ultrafast Branching in the Initial Bright State Leads Nonradiatively to the Electronic Ground State and a Long-Lived 1np State", J. Phys. Chem. B 2006, 110, 18641-18650. Access article
20. L. Colón; C. E. Crespo-Hernández; R. Oyola; C. García; R. Arce, "Photochemical and Photophysical Properties of the A·T Sequence Isomers: An Experimental and Theoretical Approach", J. Phys. Chem. B 2006, 110, 15589-15596. Access article
19. C. E. Crespo-Hernández; B. Cohen; B. Kohler, "Molecular spectroscopy: Complexity of Excited-State Dynamics in DNA (Reply)", Nature (Brief Communications Arising) 2006, 441, E7-E8. Access article
18. D. M. Close; C. E. Crespo-Hernández; L. Gorb; J. Leszczynski, "The Influence of Microhydration on the Ionization Energy Thresholds of Thymine: Comparisons of Theoretical Calculations with Experimental Values", J. Phys. Chem. A 2006, 110, 7485-7490. Access article
2005
17. D. M. Close; C. E. Crespo-Hernández; L. Gorb; J. Leszczynski, "The Influence of Microhydration on the Ionization Energy Thresholds of Uracil and Thymine", J. Phys. Chem. A 2005, 109, 9279-9283. Access article
16. C. E. Crespo-Hernández; B. Cohen; B. Kohler, "Base Stacking Controls Excited-State Dynamics in A·T-containing DNA", Nature 2005, 436, 1141-1144. Highly Cited Paper according to Thomson Reuters Web of Sceince Essential Science Indicators. Access article
2004
15. B. Cohen; C. E. Crespo-Hernández; B. Kohler, "Strickler-Berg Analysis of Excited Singlet State Dynamics in DNA and RNA Nucleosides", J. Chem. Soc., Faraday Discuss. 2004, 127, 137-147. Access article
14. C. E. Crespo-Hernández; B. Kohler, "Influence of Secondary Structure on Electronic Energy Relaxation in Adenine Homopolymers", J. Phys. Chem. B 2004, 108, 11182-11188. Access article
13. C. E. Crespo-Hernández; R. Arce; Y. Ishikawa; L. Gorb; J. Leszczynski; D. M. Close, "Ab initio Ionization Energy Thresholds of DNA and RNA Bases in Gas Phase and in Aqueous Solution", J. Phys. Chem. A 2004, 108, 6373-6377. Access article
12. B. Cohen; C. E. Crespo-Hernández; P. M. Hare; B. Kohler, "Ultrafast Excited-State Dynamics in DNA and RNA Polymers", In Femtochemistry and Femtobiology: Ultrafast Events in Molecular Science; Martin, M.; Hynes, J. T.; Elsevier: Amsterdam, 2004, p. 463-470. Access article
11. C. E. Crespo-Hernández; B. Cohen; P. M. Hare; B. Kohler, "Ultrafast Excited-State Dynamics in Nucleic Acids", Chem. Rev. 2004, 104, 1977-2019. Highly Cited Paper according to Thomson Reuters Web of Sceince Essential Science Indicators. Access article
10. C. E. Crespo-Hernández; R. Arce, "Formation of Formamidopyrimidine Nucleobase and Nucleoside as Major Products in the 254 nm Low-Intensity and 266 nm High-Intensity Irradiation of the Guanine Derivatives in Unbuffered Aqueous Solution", J. Photochem. Photobiol. B: Biol. 2004, 73, 167-175. Access article
2003
9. C. Crespo-Hernández; R. Arce; E. Quiñones, "Magnetic Field Enhancement of the 6-Methylpurine Photoionization Yield", Chem. Phys. Lett. 2003, 382, 661-664. Access article
8. C. E. Crespo-Hernández; R. Arce, "Near Threshold Photo-Oxidation of Dinucleotides Containing Purines upon 266 nm Nanosecond Laser Excitation. The Role of Bases Stacking, Conformation, and Sequence", J. Phys. Chem. B 2003, 107, 1062-1070. Access article
2002
7. C. E. Crespo-Hernández; R. Arce, "Photoinization of DNA and RNA Bases, Nucleosides and Nucleotides through a Combination of One- and Two-photon Pathways upon 266 nm Nanosecond Laser Excitation", Photochem. Photobiol. 2002, 76, 259-267. Access article
6. C. E. Crespo-Hernández; L. Martínez; A. E. González-Sierra; A. Díaz-Vázquez; R. Arce, "The 254 nm Low Intensity and 266 nm Laser Photochemistry of Adenosine. Effect of pH and Concentration on the Reactive Precursors of the Principal Products, Adenine and FAPyAde", J. Photochem. Photobiol. A: Chem. 2002, 152, 123-133. Access article
5. C. E. Crespo-Hernández, "Photochemical studies of DNA and RNA Bases, Nucleosides, Nucleotides, and Dinucleotides", Dissertation, University of Puerto Rico, Río Piedras, Puerto Rico, UMI, Order No. DA3083759, 2002, CAN 141:309127, AN 2004:104500.
2001
4. E. E. Méndez; C. Crespo-Hernández; R. Figueroa; R. Arce; E. Quiñones, "Water Photoreduction Through the Direct Photoexcitation of Methylviologen", J. Photochem. Photobiol. A: Chem. 2001, 142, 19-24.Access article
2000
3. C. E. Crespo-Hernández; R. Arce, "Part II. Mechanisms of Formation of Guanine as One of the Major Products in the 254 nm Photolysis of Guanine Derivatives: The Concentration and pH Effect", Photochem. Photobiol. 2000, 71, 544-550. Access article
2. C. E. Crespo-Hernández; S. Flores; C. Torres; I. Negrón-Encarnación; R. Arce, "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", Photochem. Photobiol. 2000, 71, 534-543. Access article
1. C. A. Reyes; M. Medina; C. E. Crespo-Hernández; M. Z. Cedeño; R. Arce; O. Rosario; M. E. Sigman; R. Dabestani, "The Photochemistry of Pyrene in Nonactivated Silica Gel Surfaces as a Model of Atmospheric Particulate", Environ. Sci. Technol. 2000, 34, 415-421. Access article
