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Pregled bibliografske jedinice broj: 494086

Populations of the Three Major Backbone Conformations in 19 Amino-Acid Dipeptides


Grdadolnik, Jože; Mohaček Grošev, Vlasta; Baldwin, Robert S.; Avbelj, Franc
Populations of the Three Major Backbone Conformations in 19 Amino-Acid Dipeptides // Proceedings of the National Academy of Sciences of the United States of America, 108 (2011), 5; 1794-1798 doi:10.1073/pnas.1017317108 (međunarodna recenzija, članak, znanstveni)


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Naslov
Populations of the Three Major Backbone Conformations in 19 Amino-Acid Dipeptides

Autori
Grdadolnik, Jože ; Mohaček Grošev, Vlasta ; Baldwin, Robert S. ; Avbelj, Franc

Izvornik
Proceedings of the National Academy of Sciences of the United States of America (0027-8424) 108 (2011), 5; 1794-1798

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
backbone conformers ; amide III band ; spectral populations ; infrared and Raman spectra

Sažetak
The amide III region of the peptide infrared and Raman spectra has been used to determine the relative populations of the 3 major backbone conformations (PII, β and αR) in 19 amino-acid dipeptides. The results provide a benchmark for force field or other methods of predicting backbone conformations in flexible peptides. There are 3 resolvable backbone bands in the amide III region. The major population is either PII or β for all dipeptides except Gly while the αR population is measurable but always minor (≤ 10%) for 18 dipeptides. (The Gly φ, ψ map is complex and so is the interpretation of the amide III bands of Gly.) There are substantial differences in the relative β and PII populations among the 19 dipeptides. The band frequencies have been assigned as PII, 1317-1306 cm-1 ; αR, 1304-1294 cm-1 ; and β, 1294-1270 cm-1. The 3 bands were measured by both attenuated total reflection spectroscopy and by Raman spectroscopy. Consistent results, both for band frequency and relative population, were obtained by both spectroscopic methods. The β and PII bands were assigned from the dependence of the 3J(HN, Hα) coupling constant (known for all 19 dipeptides) on the relative β population. The PII band assignment agrees with one made earlier from Raman optical activity data. The temperature dependences of the relative β and PII populations fit the standard model with Boltzmann-weighted energies for alanine and leucine between 30 and 60 degrees C.

Izvorni jezik
Engleski

Znanstvena područja
Fizika, Kemija



POVEZANOST RADA


Projekti:
098-0982904-2898 - Fizika i primjena nanostruktura i volumne tvari (Ivanda, Mile, MZOS ) ( POIROT)

Ustanove:
Institut "Ruđer Bošković", Zagreb

Profili:

Avatar Url Vlasta Mohaček Grošev (autor)

Poveznice na cjeloviti tekst rada:

Pristup cjelovitom tekstu rada doi www.pnas.org doi.org

Citiraj ovu publikaciju:

Grdadolnik, Jože; Mohaček Grošev, Vlasta; Baldwin, Robert S.; Avbelj, Franc
Populations of the Three Major Backbone Conformations in 19 Amino-Acid Dipeptides // Proceedings of the National Academy of Sciences of the United States of America, 108 (2011), 5; 1794-1798 doi:10.1073/pnas.1017317108 (međunarodna recenzija, članak, znanstveni)
Grdadolnik, J., Mohaček Grošev, V., Baldwin, R. & Avbelj, F. (2011) Populations of the Three Major Backbone Conformations in 19 Amino-Acid Dipeptides. Proceedings of the National Academy of Sciences of the United States of America, 108 (5), 1794-1798 doi:10.1073/pnas.1017317108.
@article{article, author = {Grdadolnik, Jo\v{z}e and Moha\v{c}ek Gro\v{s}ev, Vlasta and Baldwin, Robert S. and Avbelj, Franc}, year = {2011}, pages = {1794-1798}, DOI = {10.1073/pnas.1017317108}, keywords = {backbone conformers, amide III band, spectral populations, infrared and Raman spectra}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, doi = {10.1073/pnas.1017317108}, volume = {108}, number = {5}, issn = {0027-8424}, title = {Populations of the Three Major Backbone Conformations in 19 Amino-Acid Dipeptides}, keyword = {backbone conformers, amide III band, spectral populations, infrared and Raman spectra} }
@article{article, author = {Grdadolnik, Jo\v{z}e and Moha\v{c}ek Gro\v{s}ev, Vlasta and Baldwin, Robert S. and Avbelj, Franc}, year = {2011}, pages = {1794-1798}, DOI = {10.1073/pnas.1017317108}, keywords = {backbone conformers, amide III band, spectral populations, infrared and Raman spectra}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, doi = {10.1073/pnas.1017317108}, volume = {108}, number = {5}, issn = {0027-8424}, title = {Populations of the Three Major Backbone Conformations in 19 Amino-Acid Dipeptides}, keyword = {backbone conformers, amide III band, spectral populations, infrared and Raman spectra} }

Časopis indeksira:


  • Current Contents Connect (CCC)
  • Web of Science Core Collection (WoSCC)
    • Science Citation Index Expanded (SCI-EXP)
    • SCI-EXP, SSCI i/ili A&HCI
  • Scopus
  • MEDLINE
  • EconLit


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