Rota-microspeciation of aspartic acid and asparagine

B. Noszál, Peter Sándor

Research output: Contribution to journalArticle

41 Citations (Scopus)

Abstract

Rotamer analysis and methods for the determination of microspecies concentration were combined. Relationships between the protonation constants of rotational isomers and bulk (macro- and micro-) constants were deduced. Populations for 9 rotamers of asparagine and 15 rotamers of aspartic acid were estimated by using pH dependence of 1H and 13C NMR coupling constants. The -COOH and -CONH2 groups proved to be practically equivalent in the formation of rotamer populations. A close correlation was found between rotamer population data and other NMR parameters. Protonation constants for each rotational isomer were calculated, including rota-microconstants for the acidic region of aspartic acid, where 12 microforms coexist, six of which are isomers both from protonation and rotational point of view. Such rota-microconstants could not be determined previously, due to their overlapping equilibria.

Original languageEnglish
Pages (from-to)2631-2637
Number of pages7
JournalAnalytical Chemistry
Volume61
Issue number23
Publication statusPublished - 1989

Fingerprint

Asparagine
Protonation
Aspartic Acid
Isomers
Microforms
Nuclear magnetic resonance
Macros

ASJC Scopus subject areas

  • Analytical Chemistry

Cite this

Rota-microspeciation of aspartic acid and asparagine. / Noszál, B.; Sándor, Peter.

In: Analytical Chemistry, Vol. 61, No. 23, 1989, p. 2631-2637.

Research output: Contribution to journalArticle

Noszál, B & Sándor, P 1989, 'Rota-microspeciation of aspartic acid and asparagine', Analytical Chemistry, vol. 61, no. 23, pp. 2631-2637.
Noszál, B. ; Sándor, Peter. / Rota-microspeciation of aspartic acid and asparagine. In: Analytical Chemistry. 1989 ; Vol. 61, No. 23. pp. 2631-2637.
@article{3f36d7bfd73941c29b0097533b77ad84,
title = "Rota-microspeciation of aspartic acid and asparagine",
abstract = "Rotamer analysis and methods for the determination of microspecies concentration were combined. Relationships between the protonation constants of rotational isomers and bulk (macro- and micro-) constants were deduced. Populations for 9 rotamers of asparagine and 15 rotamers of aspartic acid were estimated by using pH dependence of 1H and 13C NMR coupling constants. The -COOH and -CONH2 groups proved to be practically equivalent in the formation of rotamer populations. A close correlation was found between rotamer population data and other NMR parameters. Protonation constants for each rotational isomer were calculated, including rota-microconstants for the acidic region of aspartic acid, where 12 microforms coexist, six of which are isomers both from protonation and rotational point of view. Such rota-microconstants could not be determined previously, due to their overlapping equilibria.",
author = "B. Nosz{\'a}l and Peter S{\'a}ndor",
year = "1989",
language = "English",
volume = "61",
pages = "2631--2637",
journal = "Analytical Chemistry",
issn = "0003-2700",
publisher = "American Chemical Society",
number = "23",

}

TY - JOUR

T1 - Rota-microspeciation of aspartic acid and asparagine

AU - Noszál, B.

AU - Sándor, Peter

PY - 1989

Y1 - 1989

N2 - Rotamer analysis and methods for the determination of microspecies concentration were combined. Relationships between the protonation constants of rotational isomers and bulk (macro- and micro-) constants were deduced. Populations for 9 rotamers of asparagine and 15 rotamers of aspartic acid were estimated by using pH dependence of 1H and 13C NMR coupling constants. The -COOH and -CONH2 groups proved to be practically equivalent in the formation of rotamer populations. A close correlation was found between rotamer population data and other NMR parameters. Protonation constants for each rotational isomer were calculated, including rota-microconstants for the acidic region of aspartic acid, where 12 microforms coexist, six of which are isomers both from protonation and rotational point of view. Such rota-microconstants could not be determined previously, due to their overlapping equilibria.

AB - Rotamer analysis and methods for the determination of microspecies concentration were combined. Relationships between the protonation constants of rotational isomers and bulk (macro- and micro-) constants were deduced. Populations for 9 rotamers of asparagine and 15 rotamers of aspartic acid were estimated by using pH dependence of 1H and 13C NMR coupling constants. The -COOH and -CONH2 groups proved to be practically equivalent in the formation of rotamer populations. A close correlation was found between rotamer population data and other NMR parameters. Protonation constants for each rotational isomer were calculated, including rota-microconstants for the acidic region of aspartic acid, where 12 microforms coexist, six of which are isomers both from protonation and rotational point of view. Such rota-microconstants could not be determined previously, due to their overlapping equilibria.

UR - http://www.scopus.com/inward/record.url?scp=0024789832&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0024789832&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:0024789832

VL - 61

SP - 2631

EP - 2637

JO - Analytical Chemistry

JF - Analytical Chemistry

SN - 0003-2700

IS - 23

ER -