PMID- 24053133
OWN - NLM
STAT- MEDLINE
DCOM- 20140711
LR  - 20131017
IS  - 1520-5215 (Electronic)
IS  - 1089-5639 (Linking)
VI  - 117
IP  - 41
DP  - 2013 Oct 17
TI  - Infrared multiple photon dissociation action spectroscopy of deprotonated RNA 
      mononucleotides: gas-phase conformations and energetics.
PG  - 10634-49
LID - 10.1021/jp4039495 [doi]
AB  - The IRMPD action spectra of the deprotonated forms of the four common RNA 
      mononucleotides, adenosine-5'-monophosphate (A5'p), guanosine-5'-monophosphate 
      (G5'p), cytidine-5'-monophosphate (C5'p), and uridine-5'-monophosphate (U5'p), 
      are measured to probe their gas-phase structures. The IRMPD action spectra of all 
      four deprotonated RNA mononucleotides exhibit distinct IR signatures in the 
      frequency region investigated, 570-1900 cm(-1), that allows these deprotonated 
      mononucleotides to be easily differentiated from one other. Comparison of the 
      measured IRMPD action spectra to the linear IR spectra calculated at the 
      B3LYP/6-31+G(d,p) level of theory finds that the most stable conformations of the 
      deprotonated forms of A5'p, C5'p, and U5'p are accessed in the experiments, and 
      these conformers adopt the C3' endo conformation of the ribose moiety and the 
      anti conformation of the nucleobase. In the case of deprotonated G5'p, the most 
      stable conformer is also accessed in the experiments. However, the ground-state 
      conformer differs from the other three deprotonated RNA mononucleotides in that 
      it adopts the syn rather than anti conformation for the nucleobase. Present 
      results are compared to results previously obtained for the deprotonated forms of 
      the four common DNA mononucleotides to examine the fundamental conformational 
      differences between these species, and thus elucidate the effects of the 
      2'-hydroxyl group on their structure, stability, and fragmentation behavior.
FAU - Nei, Y-w
AU  - Nei YW
AD  - Department of Chemistry, Wayne State University , Detroit, Michigan 48202, United 
      States.
FAU - Crampton, K T
AU  - Crampton KT
FAU - Berden, G
AU  - Berden G
FAU - Oomens, J
AU  - Oomens J
FAU - Rodgers, M T
AU  - Rodgers MT
LA  - eng
PT  - Journal Article
PT  - Research Support, Non-U.S. Gov't
PT  - Research Support, U.S. Gov't, Non-P.H.S.
DEP - 20131008
PL  - United States
TA  - J Phys Chem A
JT  - The journal of physical chemistry. A
JID - 9890903
RN  - 0 (Gases)
RN  - 0 (Nucleotides)
RN  - 0 (Protons)
RN  - 63231-63-0 (RNA)
SB  - IM
MH  - Computer Simulation
MH  - *Gases/chemistry/metabolism
MH  - *Infrared Rays
MH  - Molecular Conformation
MH  - Nucleotides/*chemistry
MH  - Phase Transition
MH  - *Photons
MH  - *Protons
MH  - RNA/*chemistry
MH  - *Spectrum Analysis
EDAT- 2013/09/24 06:00
MHDA- 2014/07/12 06:00
CRDT- 2013/09/24 06:00
PHST- 2013/09/24 06:00 [entrez]
PHST- 2013/09/24 06:00 [pubmed]
PHST- 2014/07/12 06:00 [medline]
AID - 10.1021/jp4039495 [doi]
PST - ppublish
SO  - J Phys Chem A. 2013 Oct 17;117(41):10634-49. doi: 10.1021/jp4039495. Epub 2013 
      Oct 8.