Journal ArticleDOI
The infrared spectra of uracil, thymine, and adenine in the gas phase
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TLDR
The infrared spectra of gas-phase uracil, thymine, and adenine have been recorded from 100 to 3700 cm−1 at a resolution of 1 cm −1 as mentioned in this paper.About:
This article is published in Chemical Physics Letters.The article was published on 1997-04-25. It has received 186 citations till now. The article focuses on the topics: Thymine & Uracil.read more
Citations
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All-atom empirical force field for nucleic acids: I. Parameter optimization based on small molecule and condensed phase macromolecular target data
TL;DR: MacKerell and Banavali as mentioned in this paper proposed an iterative approach to reproduce macromolecular target data while maximizing agreement with small molecule target data, and the resulting parameters represent the latest step in the continued development of the CHARMM all-atom biomolecular force field for proteins, lipids, and nucleic acids.
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Infrared spectroscopy of helium nanodroplets: novel methods for physics and chemistry
Myong Yong Choi,Gary E. Douberly,Travis M. Falconer,William K. Lewis,C. M. Lindsay,Jeremy M. Merritt,Paul L. Stiles,Roger E. Miller +7 more
TL;DR: In this article, it was shown that the helium nanodroplet spectra often resemble the corresponding gas-phase results for rotational spectroscopy, with the effects of the solvent being to...
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Singlet Excited-State Behavior of Uracil and Thymine in Aqueous Solution: A Combined Experimental and Computational Study of 11 Uracil Derivatives
Thomas Gustavsson,Akos Banyasz,Elodie Lazzarotto,Dimitra Markovitsi,Giovanni Scalmani,Michael J. Frisch,Vincenzo Barone,Roberto Improta +7 more
TL;DR: A thorough analysis of the excited-state Potential Energy Surfaces, performed at the PCM/TD-DFT(PBE0) level in aqueous solution, shows that the energy barrier separating the local S(1) minimum from the conical intersection increases going from uracil through thymine to 5-fluorouracil, in agreement with the ordering of the experimental excited- states.
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Weakly bound clusters of biological interest.
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Guanine tautomerism revealed by UV–UV and IR–UV hole burning spectroscopy
TL;DR: In this paper, the vibronic spectrum of laser desorbed and jet cooled guanine consists of bands from three different tautomers, as revealed by UV-UV and IR-UV double resonance spectroscopy.
References
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Journal ArticleDOI
Complementary base pairing and the origin of substitution mutations
TL;DR: The Watson–Crick base-pairing hypothesis is used to explain the origin, nature and level of spontaneous substitution mutations, their enhancement by base analogues, and the unique effects of certain mutator alleles.
Infrared spectroscopy of biomolecules
Henry H. Mantsch,Dennis Chapman +1 more
TL;DR: Theoretical analyses of the Amide I Infrared Bands of Globular Proteins (H. Torii & M. Tasumi) were carried out in this article, where the authors used the Fourier Transform Infrared Spectroscopy of Enzyme Systems (J. Cohen and R. Hochstrasser).
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Molecular Structure and Infrared Spectra of Adenine. Experimental Matrix Isolation and Density Functional Theory Study of Adenine 15N Isotopomers
TL;DR: In this article, the infrared spectra of matrix-isolated adenine and its 15N isotopomers with 15N at the N(9) or N(7) positions have been studied.
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Matrix isolation studies of nucleic acid constituents. i. infrared spectra of uracil monomers
M. Szczesniak,Maciej J. Nowak,Hanna Rostkowska,Krystyna Szczepaniak,Willis B. Person,David Shugar +5 more
TL;DR: In this article, the authors proposed a method to solve the problem of energy minimization in the field of particle physics, using an energy minimisation algorithm based on the concept of energy maximization.
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Base pairing and fidelity in codon-anticodon interaction
TL;DR: Base pairing in codon–anticodon interaction has been investigated in order to understand the basis on which particular base pairs have been selected for or against participation at the wobble position and the basis for codon-anticodon infidelity.