Near-infrared reversible photoswitching of an isolated azobenzene-stilbene dye
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Achieving (bio) macromolecular structural assignment from the interpretation of ion mobility spectrometry (IMS) experiments requires successful comparison with computer modeling. Replica-exchange molecular dynamics simulations with suitable force fields no ...
The catalytic hydrogenation of CO 2 at the surface of a metal hydride and the corresponding surface segregation were investigated. The surface processes on Mg 2NiH 4 were analyzed by in situ X-ray photoelectron spectroscopy (XPS) combined with thermal deso ...
We present in this work experiments that push the limits of cold ion spectroscopy to the study of complex peptides and small proteins in the gas phase. Although the low temperature attainable in a cold ion trap greatly simplifies the electronic spectra of ...
This manuscript presents a push-pull electrochem. scanner able to image reactivity of initially dry surfaces by scanning electrochem. microscopy (SECM) and to probe mols. present or generated at the surface by mass spectrometry (MS). The proof-of-concept i ...
Peptide and protein ion abundances in mass spectrometry (MS) and tandem mass spectrometry (MS/MS) may provide orthogonal, or complementary, information to their mass measurements. Collision induced dissociation (CID), the most commonly used MS/MS technique ...
A mass spectrometry-based assay combining the specificity of selected reaction monitoring and the protein ion activation capabilities of electron transfer dissociation was developed and employed for the rapid identification of hemoglobin variants from whol ...
Following a recent effort [J. Am. Soc. Mass Spectrom. 23, 386-396 (2012)], we continue to explore computational methodologies for generating molecular conformations to support collisional cross sections suggested by ion mobility measurements. Here, adaptiv ...
We describe a mass spectra recalibration method, which enables analysis of petroleum samples with Orbitrap FTMS. In this method, the mass calibration function is estimated on the basis of mass-to-charge ratios and abundances of internal calibrants without ...
Relative quantification of peptides and proteins with isobaric tags such as iTRAQ or TMT is commonly used in comparative quantitative proteomics based on tandem mass spectrometry (MS/MS). Nonetheless, isobaric tagging inherently suffers from the cofragment ...