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Collect. Czech. Chem. Commun. 2002, 67, 1109-1124
https://doi.org/10.1135/cccc20021109

Theoretical and Experimental Dipole Moments of Purines

Cyril Párkányia,*, Christian Bonifacea, Jean-Jacques Aaronb, Mihaela Bulaceanu-MacNairb and Marwan Dakkouric

a Department of Chemistry and Biochemistry, Florida Atlantic University, 777 Glades Road, P.O. Box 3091, Boca Raton, FL 33431-0991, U.S.A.
b Interfaces, Traitements, Organisation et Dynamique des Systèmes (ITODYS), Associé au CNRS, UPRESA 70-86, Université Paris 7 - Denis Diderot, 1, rue Guy de la Brosse, F-75005 Paris, France
c Abteilung für Elektrochemie, Universität Ulm, Albert-Einstein-Allee 11, Postfach 4066, D-89081 Ulm, Germany

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  • Bysewski Oliver, Winter Andreas, Schubert Ulrich S.: Catalysis of a Bis-Caffeine Palladium(II) NHC-Pincer Complex. Inorganics 2023, 11, 164. <https://doi.org/10.3390/inorganics11040164>
  • Imshinetskiy Igor, Kashepa Victoria, Nadaraia Konstantine, Mashtalyar Dmitry, Suchkov Sergey, Zadorozhny Pavel, Ustinov Aleksander, Sinebryukhov Sergey, Gnedenkov Sergey: PEO Coatings Modified with Halloysite Nanotubes: Composition, Properties, and Release Performance. IJMS 2022, 24, 305. <https://doi.org/10.3390/ijms24010305>
  • Tavagnacco Letizia, Mason Philip E., Neilson George W., Saboungi Marie-Louise, Cesàro Attilio, Brady John W.: Molecular Dynamics and Neutron Scattering Studies of Mixed Solutions of Caffeine and Pyridine in Water. J. Phys. Chem. B 2018, 122, 5308. <https://doi.org/10.1021/acs.jpcb.7b07798>
  • Tavagnacco L., Di Fonzo S., D’Amico F., Masciovecchio C., Brady J. W., Cesàro A.: Stacking of purines in water: the role of dipolar interactions in caffeine. Phys. Chem. Chem. Phys. 2016, 18, 13478. <https://doi.org/10.1039/C5CP07326J>
  • Gillingham Dennis, Geigle Stefanie, Anatole von Lilienfeld O.: Properties and reactivity of nucleic acids relevant to epigenomics, transcriptomics, and therapeutics. Chem. Soc. Rev. 2016, 45, 2637. <https://doi.org/10.1039/C5CS00271K>
  • Ghosh Mihir, Sinha Subrata: Solvatochromic Stokes shift and determination of excited state dipole moments of free base and zinc octaethylporphyrin. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2015, 150, 959. <https://doi.org/10.1016/j.saa.2015.06.057>
  • Singh Vipin Bahadur: Spectroscopic signatures and structural motifs in isolated and hydrated theophylline: a computational study. RSC Adv. 2015, 5, 11433. <https://doi.org/10.1039/C4RA15430D>
  • Joshi Sunita, Kumari Santosh, Bhattacharjee Rituparna, Sakhuja Rajeev, Pant Debi D.: Estimation of ground and excited state dipole moments of synthesized coumarin derivative [N-(2-oxo-2H-chromen-4-yl)imino]triphenyl-phosphorane. Journal of Molecular Liquids 2014, 200, 115. <https://doi.org/10.1016/j.molliq.2014.09.054>
  • Alparone Andrea: Electron correlation effects and density analysis of the first-order hyperpolarizability of neutral guanine tautomers. J Mol Model 2013, 19, 3095. <https://doi.org/10.1007/s00894-013-1838-4>
  • Joshi Sunita, Bhattacharjee Rituparna, Varma Y Tej, Pant Debi D.: Estimation of ground and excited state dipole moments of quinidine and quinidine dication: Experimental and numerical methods. Journal of Molecular Liquids 2013, 179, 88. <https://doi.org/10.1016/j.molliq.2012.11.023>
  • Varma Y Tej, Joshi Sunita, Pant Debi D.: Solvatochromatic shift of absorption and fluorescence spectra of 6-methoxyquinoline: Estimation of ground and excited state dipole moments. Journal of Molecular Liquids 2013, 179, 7. <https://doi.org/10.1016/j.molliq.2012.11.024>
  • Joshi Sunita, Pant Debi D.: Solvatochromic shift and estimation of dipole moment of quinine sulfate. J Mol Liqs 2012, 166, 49. <https://doi.org/10.1016/j.molliq.2011.11.012>
  • Joshi Sunita, Pant Debi D.: Ground and excited state dipole moments of quinine sulfate dication: Solvatochromic shift of absorption and fluorescence spectra. Journal of Molecular Liquids 2012, 172, 125. <https://doi.org/10.1016/j.molliq.2012.04.002>
  • Nowaczyk Andre, Nath Ramesh Chandra, Zimmermann Herbert, Böhmer Roland: Deuteron Magnetic Resonance Studies of Anhydrous Caffeine. Zeitschrift für Physikalische Chemie 2012, 226, 1115. <https://doi.org/10.1524/zpch.2012.0333>
  • Tavagnacco Letizia, Schnupf Udo, Mason Philip E., Saboungi Marie-Louise, Cesàro Attilio, Brady John W.: Molecular Dynamics Simulation Studies of Caffeine Aggregation in Aqueous Solution. J. Phys. Chem. B 2011, 115, 10957. <https://doi.org/10.1021/jp2021352>
  • Furmanchuk Al’ona, Isayev Olexandr, Shishkin Oleg V., Gorb Leonid, Leszczynski Jerzy: Hydration of nucleic acid bases: a Car–Parrinello molecular dynamics approach. Phys. Chem. Chem. Phys. 2010, 12, 3363. <https://doi.org/10.1039/b923930h>
  • Srinivasan A. R., Sauers Ronald R., Fenley Marcia O., Boschitsch Alexander H., Matsumoto Atsushi, Colasanti Andrew V., Olson Wilma K.: Properties of the nucleic-acid bases in free and Watson-Crick hydrogen-bonded states: computational insights into the sequence-dependent features of double-helical DNA. Biophys Rev 2009, 1, 13. <https://doi.org/10.1007/s12551-008-0003-2>
  • Moura Ramos Joaquim J., Correia Natália T., Diogo Hermínio P., Descamps Marc: Dielectric Study of the Slow Motional Processes in the Polymorphic States of Anhydrous Caffeine. J. Phys. Chem. B 2006, 110, 8268. <https://doi.org/10.1021/jp0571022>
  • Luchowski Rafał, Krawczyk Stanisław: Electroabsorption (Stark effect) spectroscopy of monomeric purine and pyrimidine bases. Chemical Phys 2005, 314, 309. <https://doi.org/10.1016/j.chemphys.2005.03.012>
  • Hoffmann Marcin, Chrzanowska Maria, Hermann Tadeusz, Rychlewski Jacek: Modeling of Purine Derivatives Transport across Cell Membranes Based on Their Partition Coefficient Determination and Quantum Chemical Calculations. J. Med. Chem. 2005, 48, 4482. <https://doi.org/10.1021/jm0495273>
  • Descamps Marc, Correia Natália T., Derollez Patrick, Danede Florence, Capet Frédéric: Plastic and Glassy Crystal States of Caffeine. J. Phys. Chem. B 2005, 109, 16092. <https://doi.org/10.1021/jp040494c>
  • Shukla M. K., Leszczynski Jerzy: Electronic Transitions of Thiouracils in the Gas Phase and in Solutions:  Time-Dependent Density Functional Theory (TD-DFT) Study. J. Phys. Chem. A 2004, 108, 10367. <https://doi.org/10.1021/jp0468962>