Modular calibrant sets for the structural analysis of nucleic acids by ion mobility spectrometry mass spectrometry.

ABSTRACT: This study explored the use of modular nucleic acid (NA) standards to generate calibration curves capable of translating primary ion mobility readouts into corresponding collision cross section (CCS) data. Putative calibrants consisted of single- (ss) and double-stranded (ds) oligo-deoxynucleotides reaching up to ∼40 kDa in size (i.e., 64 bp) and ∼5700 Å(2) in CCS. To ensure self-consistency among reference CCS values, computational data obtained in house were preferred to any experimental or computational data from disparate sources. Such values were obtained by molecular dynamics (MD) simulations and either the exact hard sphere scattering (EHSS) or the projection superposition approximation (PSA) methods, and then plotted against the corresponding experimental values to generate separat

SUBMITTER: Lippens JL 

PROVIDER: S-EPMC6911264 | biostudies-literature | 2016 Jun

REPOSITORIES: biostudies-literature