NEXAFS spectra and specific dissociation of oligo-peptide model molecules
Source abstract
Abstract
Total-ion-yield near-edge X-ray absorption fine-structure (NEXAFS) spectra of three oligo-peptide model molecules were recorded. The NEXAFS spectra were also calculated with time-dependent density functional theory; the calculated spectra are consistent with the experimental measurements. The ionic products from core-excited molecules and their branching ratios as functions of excitation energy show branching ratios 42%-75% of dissociation of the peptide bond, especially at resonant excitations. The major destination orbitals assigned at these excitation energies show significant antibonding character along peptide bonds, which causes large probabilities of bond cleavage.
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Research context
OpenAlex topics: Mass Spectrometry Techniques and Applications · X-ray Spectroscopy and Fluorescence Analysis · Ion-surface interactions and analysis
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
Scientific Research Division, National Synchrotron Radiation Research Center 1 , Hsinchu 30076, Taiwan
Department of Applied Chemistry, National Chiao Tung University 2 , Hsinchu 30010, Taiwan
Institute of Atomic and Molecular Sciences, Academia Sinica 3 , P. O. Box 23-166, Taipei 10617, Taiwan
Department of Chemistry, National Tsing Hua University 4 , Hsinchu 30013, Taiwan
Department of Chemistry and Biochemistry, National Chung Cheng University 5 , Chia-Yi 62102, Taiwan
Funding
Academia Sinica · Ministry of Science and Technology, Taiwan
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