Ultraviolet spectroscopy and tautomerism of the DNA base guanine and its hydrate formed in a supersonic jet

Piuzzi, F.; Mons, Michel; Dimicoli, I.; Tardivel, B.; Zhao, Qingchun

doi:10.1016/s0301-0104(01)00393-7

Cited by 133 publications

(154 citation statements)

References 40 publications

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“…Pulsed heating at a rate of the order of 1000 degrees in 10 ns allows fragment-free vaporization of all bases and this heating rate can be achieved with pulsed laser desorption. Typical experiments use a Nd:YAG laser at 1064 nm with 10 ns pulses of a fraction of a mJ/cm 2 to desorb from a graphite substrate, which is moved to expose fresh material in subsequent shots 21,24,25 . To permit spectroscopy, the desorbed molecules are entrained in a pulsed supersonic expansion, cooling them to internal temperatures corresponding to the order of 20 K 21 .…”

Section: Vibronic Spectramentioning

confidence: 99%

“…A case in point is the so-called guanine puzzle 28,69 . The REMPI vibronic spectrum consists of the overlapping spectra from four different tautomers, as determined by UV-UV holeburning 24,86,87 . However the identification of the specific tautomers by IR-UV double resonance spectroscopy proved challenging.…”

Section: Tautomersmentioning

confidence: 99%

“…It is reasonable to postulate that the chromophore is affected primarily by the first solvent shell. Therefore many of the details of the dynamics in solution can be elucidated by studying clusters with small numbers of water molecules 24,25,[93][94][95][96][97][98] . It appears that hydrogen bonding can play a role in two ways.…”

Section: Intermolecular Effects -Clustersmentioning

confidence: 99%

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UV-Excitation from an Experimental Perspective: Frequency Resolved

Vries

2014

Topics in Current Chemistry

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Electronic spectroscopy of DNA bases in the gas phase provides detailed information about the electronic excitation, which places the molecule in the Franck-Condon region in the excited state and thus prepares the starting conditions for excited state dynamics. Double resonant or hole burning spectroscopy in the gas phase can provide such information with isomer specificity, probing the starting potential energy landscape as a function of tautomeric form, isomeric structure, or hydrogen bonded or stacked cluster structure. Action spectroscopy, such REMPI, can be affected by excited state lifetimes.

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Section: Vibronic Spectramentioning

confidence: 99%

Section: Tautomersmentioning

confidence: 99%

Section: Intermolecular Effects -Clustersmentioning

confidence: 99%

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UV-Excitation from an Experimental Perspective: Frequency Resolved

Vries

2014

Topics in Current Chemistry

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“…[18][19][20] The excited-state lifetimes have been reported recently using many different techniques. [21][22][23][24][25][26][27][28][29][30][31][32][33][34][35][36][37][38][39] These studies report lifetimes on the order of femtoseconds and suggest that nonradiative relaxation proceeds on an ultrafast time scale to the ground state, with the extra energy being transformed into heat.…”

Section: Introductionmentioning

confidence: 99%

Three-State Conical Intersections in Nucleic Acid Bases

2005

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The involvement of three-state conical intersections in the photophysics and radiationless decay processes of the nucleobases has been investigated using multireference configuration interaction methods. Three-state conical intersections have been located for the pyrimidine base, uracil, and the purine base, adenine. In uracil, a three-state degeneracy between the S 0 , S 1 , and S 2 states has been located at 6.2 eV above the ground-state minimum energy. This energy is 0.4 eV higher than vertical excitation to S 2 and at least 1.3 eV higher than the two-state conical intersections found previously. In adenine, two different three-state degeneracies between the S 1 , S 2 , and S 3 states have been located at energies close to the vertical excitation energies. The energetics of these three-state conical intersections suggest they can play a role in a radiationless decay pathway present in adenine. The existence of two different seams of three-state conical intersections indicates that these features are common and complicate the potential energy surfaces of adenine and possibly many other aromatic molecules.

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“…Many studies on the gas-phase interactions of neutral and anionic forms of nucleic acid bases [3][4][5][6][7][8][9][10][11][12][13] and nucleosides [14] with water molecules have been performed theoretically. A few experimental studies have been carried out on hydration enthalpies [15], IR spectra [13], UV spectra [16], hydration dynamics [17] of DNA bases, ionization potentials [18], and metastable decay [19] of hydrated adenine and thymine cations. Much less attention has been paid to the hydration of protonated DNA components, although these forms are of considerable interest in view of their potential formation in radiation-induced damage of DNA and RNA, and interaction with a water environment.…”

mentioning

confidence: 99%

Microhydration of protonated nucleic acid bases and protonated nucleosides in the gas phase

Wincel

2009

J. Am. Soc. Mass Spectrom.

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Thermochemical data, ⌬H o n , ⌬S o n , and ⌬G o n , for the hydration of protonated nucleic acid bases and protonated nucleosides have been experimentally studied by equilibrium measurements using an electrospray high-pressure mass spectrometer equipped with a pulsed ion-beam reaction chamber. For protonated nucleobases the hydration enthalpies were found to be similar for all studied systems and varied between 12.4 -13.1 kcal/mol for the first and 11.2-11.5 kcal/mol for the second water molecule. While for protonated nucleosides the water binding enthalpies (11.7-13.3 kcal/mol) are very close to those for protonated nucleobases, the entropy values are "more negative." The structural and energetic aspects of hydrated ions are discussed in conjunction with the available theoretical data. (J Am Soc Mass Spectrom 2009, 20, 1900 -1905) © 2009 American Society for Mass Spectrometry N ucleic acid bases are amongst the primary building blocks of DNA and RNA, and water is generally considered to be their integral part. Hydration of nucleobases is crucially important for the structure, stability, and biologic functions of DNA [1,2]. Interaction between the DNA constituents and water molecules is important for a better understanding of the mechanistic role of water molecules in conformational transitions and mechanisms of DNA's bioactivity. The effect of hydration of the DNA bases is very local and only a limited number of water molecules contribute to it significantly [1,2]. Many studies on the gas-phase interactions of neutral and anionic forms of nucleic acid bases [3][4][5][6][7][8][9][10][11][12][13] [19] of hydrated adenine and thymine cations. Much less attention has been paid to the hydration of protonated DNA components, although these forms are of considerable interest in view of their potential formation in radiation-induced damage of DNA and RNA, and interaction with a water environment. To our best knowledge, the stabilities of protonated adenine tautomers and their complexes with water molecules [20] have only been investigated computationally, while there have been some experimental and theoretical studies on the hydration of protonated and deprotonated forms of the four mononucleotides (dAMP, dCMP, dGMP, and dTMP) [21]. More recently, the possible tautomeric forms of the monohydrated protonated uracil have been examined in the gas phase by using IR multiple-photon dissociation spectroscopy (IR-MPD) in combination with computational study [22].In this paper, we present the first experimental results on the energetics of hydration of protonated nucleic acid bases, NABs (uracil, Ura; thymine, Thy; adenine, Ade; and hypoxanthine, Hyp), and protonated nucleosides, NSDs (uridine, Urd; thymidine, Thd; adenosine, Ado; and inosine, Ino). These results were obtained from high-pressure mass spectrometry equilibria measurements in the gas phase. Previously, we measured the energetics of hydration of protonated and deprotonated amino acids [23][24][25]. ExperimentalAll experiments were performed on a high-pressure (HP...

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Ultraviolet spectroscopy and tautomerism of the DNA base guanine and its hydrate formed in a supersonic jet

Cited by 133 publications

References 40 publications

UV-Excitation from an Experimental Perspective: Frequency Resolved

UV-Excitation from an Experimental Perspective: Frequency Resolved

Three-State Conical Intersections in Nucleic Acid Bases

Microhydration of protonated nucleic acid bases and protonated nucleosides in the gas phase

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