Document Detail

Interactions between naphthenic acids; Dependence on molecular structure revealed through statistical analysis of ultra-high-resolution electrospray mass spectra.
MedLine Citation:
PMID:  24892293     Owner:  NLM     Status:  In-Data-Review    
Negative-ion electrospray mass spectra of samples of naphthenic acids contain peaks due to monomeric species [M-H](-) and dimeric species [2M-H](-). Working with a model system, intensities of the dimers were related to the intensities of monomers through linear inverse modelling. The statistical approaches investigated and the details of their applications to naphthenic acids are described here. The statistical analysis gives estimates of the relative probabilities of association of all pairs of monomers, where the monomers are defined by their accurate masses. The trends observed in these calculated probabilities of association exhibit breakpoints in the vicinity of monomers with 16 carbon atoms. These findings are discussed in terms of hydrophobic effects influencing the probability of association of naphthenic acids.
Penelope A Bilton; Raffaello da Campo; Ramin Nikzad; Martin Hazelton; Peter J Derrick
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Publication Detail:
Type:  Journal Article    
Journal Detail:
Title:  European journal of mass spectrometry (Chichester, England)     Volume:  20     ISSN:  1469-0667     ISO Abbreviation:  Eur J Mass Spectrom (Chichester, Eng)     Publication Date:  2014  
Date Detail:
Created Date:  2014-06-04     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  101124748     Medline TA:  Eur J Mass Spectrom (Chichester, Eng)     Country:  England    
Other Details:
Languages:  eng     Pagination:  221-32     Citation Subset:  IM    
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