Linked Life Data

16223288

Source:http://linkedlifedata.com/resource/pubmed/id/16223288

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
13
pubmed:dateCreated
2005-10-14
pubmed:abstractText
The dependence of the positive dissociation energy (PDE) on the size of both protonated and various metal cationized (M+/2+=Na+, K+, Mg2+, and Ca2+) oligoglycines GnHM (G=glycine; n=1-5, and including 6 for GnHK) in the gas phase has been first determined at the B3LYP level with different basis sets. Results show that these PDEs become negative ones when n>or=5 for GnHNa, n>or=6 for GnHK, n>or=2 for GnHMg, and n>or=3 for GnHCa. Moreover, the PDE effect decreases gradually along the increase of oligoglycine size for all these PDE systems. More charge transfer to the ambient ligand and large electrostatic effect of the two divalent cation (Mg2+ and Ca2+) involved systems make them lose the PDE effect more rapidly, and hold more compact and oblate shapes than the monovalent ones. Differently, polydentate GnHK prefers a spherical to oblate shape along with the increase of oligoglycine size.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Oct
pubmed:issn
0021-9606
pubmed:author
pubmed:issnType
Print
pubmed:day
1
pubmed:volume
123
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
134307
pubmed:meshHeading
pubmed:year
2005
pubmed:articleTitle
The peptide-chain size dependence of positive dissociation energy effect in metallized and protonated polydentate oligoglycine peptides.
pubmed:affiliation
School of Chemistry and Chemical Engineering, Jinan University, Jinan, 250022, People's Republic of China.
pubmed:publicationType
Journal Article, Research Support, Non-U.S. Gov't