2009
DOI: 10.1016/j.bpc.2009.02.007
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Structural features of the adenosine conjugate in means of vibrational spectroscopy and DFT

Abstract: This is a PDF file of an unedited manuscript that has been accepted for publication. As a service to our customers we are providing this early version of the manuscript. The manuscript will undergo copyediting, typesetting, and review of the resulting proof before it is published in its final form. Please note that during the production process errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal pertain. Moreover, calculated atomic charge distribution g… Show more

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Cited by 12 publications
(5 citation statements)
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“…6f) for the two polioviruses, large peak-shifts between the PV1M and the PV1S indicate that these SERS substrates can be used to distinguish small structural changes. Specifically, the following specific peaks (and hence their associated molecular structure) were visible in PV1S: the 830 cm −1 (O-P-O symmetric stretch), 55 1060 cm −1 (ribose, phenylalanine), 55 1295 cm −1 (amide III from protein), 56 1460 cm −1 (amide II, C-N stretching mode), 57 and 2940 cm −1 (the asymmetric stretching vibration of CH 2 ). In PV1M, the peaks shifted to 850 cm −1 , 1040 cm −1 , 1300 cm −1 , 1470 cm −1 , and 2945 cm −1 , respectively.…”
Section: Resultsmentioning
confidence: 98%
“…6f) for the two polioviruses, large peak-shifts between the PV1M and the PV1S indicate that these SERS substrates can be used to distinguish small structural changes. Specifically, the following specific peaks (and hence their associated molecular structure) were visible in PV1S: the 830 cm −1 (O-P-O symmetric stretch), 55 1060 cm −1 (ribose, phenylalanine), 55 1295 cm −1 (amide III from protein), 56 1460 cm −1 (amide II, C-N stretching mode), 57 and 2940 cm −1 (the asymmetric stretching vibration of CH 2 ). In PV1M, the peaks shifted to 850 cm −1 , 1040 cm −1 , 1300 cm −1 , 1470 cm −1 , and 2945 cm −1 , respectively.…”
Section: Resultsmentioning
confidence: 98%
“…Similarly, the maxima of ν (Pt–N) observed at 505–520 cm −1 indicate the coordination of the n L molecules through nitrogen atoms. Other peaks connected with the presence of n L in 1 – 5 were detected in the 660–900 cm −1 and 1,450–1,590 cm −1 ranges (the skeletal vibrations of the purine moiety), between 1,049 and 1,081 cm −1 ( ν (C–O) aliphatic of the ribose moiety), at 1,610–1,614 cm −1 ( ν (C–N) aromatic vibrations) and at 3,116–3,129 cm −1 ( ν (C–H) aromatic vibration) [16,17]. The ν (N–H) vibration of the n L ligands, ν (O–H) vibration of the ribose moiety and/or ν (O–H) vibration of the water molecules of crystallization, which are also present in the structures of 1 – 5 , are overlapped to one broad peak with maxima between 3,304 and 3,326 cm −1 .…”
Section: Resultsmentioning
confidence: 99%
“…The different vibrations (stretching and deformation) of C-C (aliphatic chains) appeared in a long field (1400 -400 cm −1 ) with intense and medium intensities [21,20,24]. Bands in the 2590 ± 80 cm −1 region were assigned to the vibrations of CH and CH 2 [25,26], these bands are moderate intensities in complex spectra…”
Section: Ph mentioning
confidence: 99%