- Combined matrix-isolation FT-IR and ab initio 6-31++G** study of H-bonded complexes between water and molecules modelling cytosine or isocytosine
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A step-by-step experimental and ab initio SCF/6-31++G** procedure is described for the interpretation of the matrix FT-IR spectra of H-bonded complexes of cytosine or isocytosine with water.The method involves a detailed study of several compounds, each modelling one or a few cytosine sites and/or tautomers in order of increasing complexity.Results are presented for tautomerization processes in 2-OH-pyridine, 4-OH-pyrimidine and isocytosine, and for H-bonded complexes of water with pyrimidine, 4-OH-pyridine and 4-NH2-pyridine.The whole series of obtained results has allowed the setting up of a large-scale vibration correlation diagram for water complexed with N- and O-bases.It also allows some new, important conclusions to be drawn about the major problem of scaling ab initio predicted frequencies for anharmonic proton-donor vibrational modes.
- Smets, Johan,Adamovicz, Ludwik,Maes, Guido
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p. 113 - 130
(2007/10/02)
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- Artificial DNA base pair analogues
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The present invention is directed to new artificial base pairs comprising complementary artificial purines and pyrimidines and methods of using artificial complementary base pairs.
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- 1-Substituted-2-imino-pyrido[2,3-d]pyrimidin-4(1H)-ones
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ANTI-HISTAMINICS OF THE FORMULA: SPC1 wherein R1 is alkyl, alkenyl or phenalkyl, R2 and R3 are hydrogen, alkyl or alkenyl, and R is an optional substituent, are prepared by reacting a 3,4-dihydro-1,3-dioxo-1H-pyrido [2,3-d][1,3]oxazine (a 3-azaisatoic anhydride) with a S-methyl-thiopseudourea.
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