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Volumn 106, Issue 46, 2002, Pages 12045-12051

Gas phase polyalanine: Assessment of i → i + 3 and i → i + 4 helical turns in [Alan + 4H]4+ (n = 29-49) ion

Author keywords

[No Author keywords available]

Indexed keywords

HYDROGEN BONDS; MASS SPECTROMETRY; POSITIVE IONS; STRUCTURE (COMPOSITION);

EID: 0037153258     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp021364b     Document Type: Article
Times cited : (23)

References (80)
  • 72
    • 0011967537 scopus 로고    scopus 로고
    • note
    • linear = 25.95 n + 27.75, as determined from a fit to calculated cross-sections (as described in ref 12) for linear structures.
  • 74
    • 0011934783 scopus 로고    scopus 로고
    • note
    • b is Boltzmann's constant, and ze is the charge.
  • 75
    • 0004210285 scopus 로고
    • Biosym/MSI: San Diego, CA
    • Insight II; Biosym/MSI: San Diego, CA, 1995.
    • (1995) Insight II
  • 76
    • 0028555378 scopus 로고
    • 3+ (n = 18-41) ions (ref 12), we have placed protons only on -NH groups of the peptide backbone. In general, coulomb repulsion between charge sites is a dominant factor in determining overall conformation in these multiply charged systems. Although we note that theoretical studies of triglycine have suggested that the backbone -C=O groups are more basic than backbone -NH groups (Zhang, K.; Cassady, C.J.; Chung-Phillips, A. J. Am. Chem. Soc. 1994, 116, 11512), these were not considered as protonation sites due to limitations of the available force fields. Because the electronegativity of carbonyl groups engages them in hydrogen-bonding interactions with the protonation site, it is unlikely that formally placing the proton on the -NH portion of the backbone will significantly affect the molecular modeling results.
    • (1994) J. Am. Chem. Soc. , vol.116 , pp. 11512
    • Zhang, K.1    Cassady, C.J.2    Chung-Phillips, A.3
  • 79
    • 0011968365 scopus 로고    scopus 로고
    • note
    • z+ parents).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.