Vibrational spectra of nucleic acid constituents—I

Susi, H.; Ard, J. S.

doi:10.1016/0584-8539(71)80211-8

Cited by 189 publications

(66 citation statements)

References 30 publications

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“…1), the bands at 873 and 826 cm −1 were assigned to out of plane bending modes of the N3H and N1H groups, respectively [6]. All the remaining bands observed in this spectrum have major contributions from skeletal modes (νC4 C5: 784 cm −1 ; γC2 O: 761 cm −1 ; γC4 O: 750 cm −1 ; δ ring : 590 cm −1 ; δC2 O: 567/565 cm −1 ; δ ring : 549 cm −1 and γ ring : 532 cm −1 [15,16]). In the spectrum of the mixture (trace 2), it can be seen that the component of deconvolution at ca.…”

Section: Resultsmentioning

confidence: 87%

“…1). For both molecules, the bands appearing at these frequencies have been assigned to vibrations with dominant contributions from skeletal coordinates [6,[13][14][15][16] and are expected not to change appreciably their intensity upon local environment changes due to the base pairing. A possible explanation for this result is that these modes have effectively appreciable contributions either from the N3H (in uracil) or the NH 2 coordinates (in adenine).…”

Section: Resultsmentioning

confidence: 99%

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Spontaneous self-association of adenine and uracil in polycrystals from low temperature FTIR spectra in the range below 1000cm−1

Rozenberg

Shoham

Reva

et al. 2005

Spectrochimica Acta Part A: Molecular and Biomolecular Spectros

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FTIR spectra of solid samples of co-crystallized adenine and uracil were measured at 10 K in the range below 1000 cm −1 . New bands ascribable to the N3H (uracil) and NH 2 (adenine) out of plane vibrations, which disappear upon D-exchange, were revealed in comparison with the spectra of pure polycrystalline adenine and uracil obtained in the same conditions. The observed changes relate to the same groups that establish the H-bonds in base pairs of naturally occurring nucleic acids, despite the presence of an extra proton donor NH-group in both molecules. The well-established empirical correlation between the out of plane NH vibrational frequencies and H-bond energies was successfully applied for estimation of the latter in the mixed crystal.

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Section: Resultsmentioning

confidence: 87%

Section: Resultsmentioning

confidence: 99%

Spontaneous self-association of adenine and uracil in polycrystals from low temperature FTIR spectra in the range below 1000cm−1

Rozenberg

Shoham

Reva

et al. 2005

Spectrochimica Acta Part A: Molecular and Biomolecular Spectros

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“…The experimental IR spectra of the uracil crystal and its deuterated analogs were published by Suzi and Ard [14]. This crystal belongs to the P 2 , / a symmetry group [15] isomorphic to the point group C , , and has the same symmetry operations-the screw axis, the inversion, and the slide plane-as the 1 -methylthymine crystal.…”

Section: Uracilmentioning

confidence: 99%

Theory of the infrared spectra of the hydrogen bond in molecular crystals

Wójcik

1976

Int J of Quantum Chemistry

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AbstractsA general model for the vibrational interactions of the hydrogen bonds in molecular crystals is presented. The energy and the intensity distributions of the IR spectra of the 1 -methylthymine and uracil crystals are correctly reproduced.On p r k n t e un modhle giniral pour les interactions vibrationnelles des liaisons hydroghnes dans un cristal molkculaire. L'inergie et les distributions d'intensiti du spectre IR des cristaux de 1 -mkthylethymine et d'uracile sont reproduits correctement.Es wird ein allgemeines Modell fur die Schwingungswechselwirkungen der Wasserstoffbindungen in Molekulkristallen vorgelegt. Die Energie und die Intensitatsverteilungen der IR-Spectra der 1 -Methylthymin-und Uracylkristalle werden korrekt reproduziert.

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“…Since a mode that we calculate at 504 cm-l is a uracil ring bending mode, we associate it with the in-plane uracil ring mode observed a t 550 cm-1 by Susi and Ard.lg Likewise, a mode calculated at 379 cm-' with out-of-phase C=O bending in uracil is associated with a mode assigned as such in uracil a t 398 cm-'. 19 The rest of the calculated frequencies along with pertinent experimental data are recorded in Table VII. Since the experimental data are taken from many different sources, the arrangement of this table differs from Tables V and VI. Below -300 cm-l our calculation indicates the presence of -15 lowfrequency modes for each ribopolymer.…”

Section: \ / Imentioning

confidence: 99%

Lattice vibrational modes of poly(rU) and poly(rA)

Eyster

Prohofsky

1974

Biopolymers

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SynopsisA normal coordinate analysis has been performed for the polyribonucleotides poly(rU) and poly(rA). The polymers are assumed to be 11-fold infinite helical structures in the A conformation. The hydrogen atoms have been rigidly attached to the appropriate atoms in order to reduce the dimension of the problem. The potential energy is defined in terms of a valence force field initially and a model for the inclusion of nonbonded interactions has been presented. A method for factoring the secular equation for infinite helical polymers in Cartesian coordinates is presented. All of the general features of polyribonucleotide spectra have been reproduced and, in many cases, good quantitative agreement between observed and calculated frequencies is obtained. More specific assignments are offered for some of the observed lines.

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Vibrational spectra of nucleic acid constituents—I

Cited by 189 publications

References 30 publications

Spontaneous self-association of adenine and uracil in polycrystals from low temperature FTIR spectra in the range below 1000cm−1

Spontaneous self-association of adenine and uracil in polycrystals from low temperature FTIR spectra in the range below 1000cm−1

Theory of the infrared spectra of the hydrogen bond in molecular crystals

Lattice vibrational modes of poly(rU) and poly(rA)

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