Uracil in DNA-Its biological significance, Mutat. Res. Rev. Mutat, vol.705, pp.239-245, 2010. ,
Complementary Base-Pairing and Origin of Substitution Mutations, Nature, vol.263, pp.285-289, 1976. ,
Triplex DNA Structures, Annu. Rev. Biochem, vol.64, pp.65-95, 1995. ,
, theochem-J. Mol. Struct, vol.336, pp.235-243, 1995.
Interaction with glycine increases stability of a mutagenic tautomer of uracil. A density functional theory study, J. Am. Chem. Soc, vol.127, pp.2238-2248, 2005. ,
, DNA Structure and Function, 1994.
Fast atom bombardment: A new mass spectrometric method for peptide sequence analysis, Biochem. Biophys. Res. Commun, vol.101, pp.623-631, 1981. ,
Processes of Laser-Induced ion Formation in Mass-Spectrometry, Acs. Sym. Ser, vol.291, pp.69-82, 1985. ,
Electrospray Ionisation Mass Spectrometry: Principles and Clinical Applications, Clin. Biochem. Rev, vol.24, pp.3-12, 2003. ,
Electrospray Ionization for Mass-Spectrometry of Large Biomolecules, Science, vol.246, pp.64-71, 1989. ,
Mass spectrometry sampling under ambient conditions with desorption electrospray ionization, Science, vol.306, pp.471-473, 2004. ,
Ambient mass spectrometry using desorption electrospray ionization (DESI): instrumentation, mechanisms and applications in forensics, chemistry, and biology, J. Mass Spectrom, vol.40, pp.1261-1275, 2005. ,
Collision-Induced Dissociation, Methods Enzymol, vol.193, pp.237-263, 1990. ,
Collision-Induced Dissociation of Uracil and its Derivatives, J. Am. Soc. Mass Spectrom, vol.5, pp.339-349, 1994. ,
Revisiting the Reactivity of Uracil During Collision Induced Dissociation: Tautomerism and Charge-Directed Processes, J. Am. Soc. Mass Spectrom, vol.23, pp.858-868, 2012. ,
Theoretical and experimental study of the fragmentation of protonated uracil, Chem. Phys. Lett, pp.108-114, 2014. ,
URL : https://hal.archives-ouvertes.fr/hal-01071776
Thresholds for the collision-induced dissociation of clusters by rare gas impact, J. Phys. Chem, vol.100, pp.8190-8196, 1996. ,
URL : https://hal.archives-ouvertes.fr/hal-00737340
Energy-Transfer Dynamics in the Collison-induced Dissociation of Al-6 and Al-13 clusters, J. Phys. Chem, vol.99, pp.8147-8161, 1995. ,
Collisional Activation of Small Peptides, J. Phys. Chem. A, vol.103, pp.3981-3990, 1999. ,
DOI : 10.1021/jp984712b
Direct ab initio dynamics study on the hydrogen abstraction reaction of CH3CCl3 + OH-> CH2CCl3+H2O, J. Phys. Chem. A, vol.107, pp.6231-6235, 2003. ,
Quasiclassical dynamics simulation of the collision-induced dissociation of Cr(CO)6 + with Xe, J. Chem. Phys, vol.123, p.154311, 2005. ,
Direct dynamics Simulations of collision-and surface-induced dissociation of N-protonated glycine. Shattering fragmentation, J. Phys. Chem. A, vol.106, pp.9983-9992, 2002. ,
Protonated Urea CollisionInduced Dissociation. Comparison of Experiments and Chemical Dynamics Simulations, J. Phys. Chem. A, vol.113, pp.13853-13862, 2009. ,
URL : https://hal.archives-ouvertes.fr/hal-00440381
Collision induced dissociation of doubly-charged ions: Coulomb explosion vs. neutral loss in Ca(urea) 2+ gas phase unimolecular reactivity via chemical dynamics simulations, Phys. Chem. Chem. Phys, vol.14, pp.11724-11736, 2012. ,
URL : https://hal.archives-ouvertes.fr/hal-00733882
Unimolecular Fragmentation Induced By Low-Energy Collision: Statistically or Dynamically Driven?, J. Phys. Chem. A, vol.118, pp.10882-10893, 2014. ,
Gas-phase collision induced dissociation mechanisms of peptides: Theoretical and experimental study of N-formylalanylamide fragmentation, Int. J. Mass Spectrom, vol.335, pp.33-44, 2013. ,
URL : https://hal.archives-ouvertes.fr/hal-00796097
, World Association of Theoretical and Computational Chemists, 2011.
Galactose-6-Sulfate collision induced dissociation using QM plus MM chemical dynamics simulations and ESI-MS/MS experiments, Int. J. Mass Spectrom, vol.358, pp.25-35, 2014. ,
DOI : 10.1016/j.ijms.2013.11.002
Collision-induced dissociation mechanisms of Li(uracil) +, Phys. Chem. Chem. Phys, vol.15, pp.7628-7637, 2013. ,
A new mixing of Hartree-Fock and local density-functional theories, J. Chem. Phys, vol.98, pp.1372-1377, 1993. ,
DOI : 10.1063/1.464304
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density, Phys. Rev. B, vol.37, pp.785-789, 1988. ,
Density-Functional Exchange-energy Approximation with Correct Asymptotic-Behaviour, Phys. Rev. A, vol.38, pp.3098-3100, 1988. ,
DOI : 10.1103/physreva.38.3098
AM1: a new general purpose quantum mechanical molecular model, J. Am. Chem. Soc, vol.76, pp.3902-3909, 1985. ,
Optimization of parameters for semiempirical methods I. Method, J. Comput. Chem, vol.10, pp.209-220, 1989. ,
DOI : 10.1002/jcc.540100208
URL : http://www.dtic.mil/dtic/tr/fulltext/u2/a209840.pdf
Natural Bond Orbitals and Extensions of Localized Bonding Concepts, Chem. Educ. Res. Pract, vol.2, pp.91-104, 2001. ,
, , 2009.
, Unimolecular Reaction Dynamics: Theory and Experiments, p.1
A general RRKM program, QCPE, vol.14, p.644, 1994. ,
Collision induced dissociation of protonated urea with N2: Effects of rotational energy on reactivity and energy transfer via chemical dynamics simulations, Int. J. Mass Spectrom, vol.308, pp.289-298, 2011. ,
Exploratory Study of Reactant Vibrational Effects in CH3 + H2 and its isotopic Variants, J. Chem. Phys, 1975. ,
On the dynamics of state selected unimolecular reactions: Chloroacetylene dissociation and predissociation, J. Chem. Phys, vol.66, pp.1523-1533, 1977. ,
Trajectory studies of SN2 nucleophilic substitution. II. Nonstatistical central barrier recrossing in the Cl ? + CH3Cl system, J. Chem. Phys, vol.96, pp.8275-8287, 1992. ,
VENUS96: A General Chemical Dynamics Computer Program, 1996. ,
Special Issue-MOPAC-a Semiempirical Molecular-Orbital Program, J. Comput. Aided Mol. Des, vol.4, pp.1-105, 1990. ,
Relative enthalpies of 1,3-dimethyl-2,4-pyrimidinedione, 2,4dimethoxypyrimidine, and 4-methoxy-1-methyl-1-2-pyrimidinone: estimation of the relative stabilities of two protomers of uracil, J. Am. Chem. Soc, vol.104, pp.7073-7077, 1982. ,
Photophysical Properties of Nucleic-Acid Components .1. Pyrimidines-Thymine, Uracil, N,N-Dimethyl Derivatives and Thymidine, Photochem. Photobiol, vol.31, pp.5-13, 1980. ,
Evidence for Tautomerism in NucleicAcid Base-Pairs-H-1-NMR Study of N-15 Labeled Transfer-RNA, Nucl. Acid Res, vol.10, pp.7027-7039, 1982. ,
Low-Frequency Vibrational-Spectra of Crystalline Uracil, Thymine and their 1-methyl-derivatives, J. Mol. Struct, vol.189, pp.239-242, 1988. ,
Theoretical-Analisis of the NU-N-H IR Spectral Band of Crystalline Uracil, J. Mol. Struct, vol.242, pp.263-272, 1991. ,
Protonation and deprotonation energies of uracil-Implications for the uracil-water complex, J. Chem. Soc., Faraday Trans, vol.94, pp.1277-1280, 1998. ,
Theoretical study of tautomeric forms of uracil. 1. Relative order of stabilities and their relation to proton affinities and deprotonation enthalpies, J. Phys. Chem. A, vol.105, pp.1288-1295, 2001. ,
Proton affinity of uracil. A computational study of protonation sites, J. Am. Soc. Mass Spectrom, vol.11, pp.1065-1071, 2000. ,
Infrared spectra of protonated uracil, thymine and cytosine, ChemPhysChem, vol.8, pp.2235-2244, 2007. ,
URL : https://hal.archives-ouvertes.fr/hal-00181160
Investigation of proton transport tautomerism in clusters of protonated nucleic acid bases (cytosine, uracil, thymine, and adenine) and ammonia by high-pressure mass spectrometry and ab initio calculations, J. Am. Chem. Soc, vol.129, pp.569-580, 2007. ,
Collision-induced dissociation pathways of protonated Gly2NH2 and Gly3NH2 in the short time-scale limit by chemical dynamics and ion spectroscopy, Int. J. Mass Spectrom, 2015. ,
URL : https://hal.archives-ouvertes.fr/hal-01220092
Mass Spectra of Nucleic Acid Derivatives, Pyrimidines. J. Am. Chem. Soc, vol.87, pp.4569-4576, 1965. ,
Synthesis in the hydroaromatic series, IV. Announcement: The rearrangement of malein acid anhydride on arylated diene, triene and fulvene (collaborated by Paul Pries), Chem. Ber, vol.62, pp.2081-2087, 1929. ,
Announcement: On Delta(4)-tetrahydro-o-phthalic acid, Characteristics of conjugated double bonds, VII.), vol.62, pp.2087-2090, 1929. ,
each structure calculated at PM3 level of theory, Liebigs Ann, vol.470, pp.62-103, 1929. ,