Ab initio computer simulations of anharmonic vibrational spectra provide nuanced insight
into the vibrational behavior of molecules and complexes. The computational bottleneck in …

Lipids are small but complex biomolecules that feature an immense structural and functional
diversity. The molecular structure and biological functions of lipids are intricately linked …

Currently, there is a wide application in the literature of the use of the Fourier Transform
Infrared Spectroscopy (FTIR) technique. This basic tool has also proven to be efficient for …

This work presents a benchtop method for collecting the room temperature gas phase
infrared (IR) action spectra of protonated amino acids and their isomers. The adopted setup …

Protein ubiquitin in its+ 7 charge state microhydrated by 5 and 10 water molecules has been
interrogated in the gas phase by cold ion UV/IR spectroscopy. The complexes were formed …

The impact of the stereochemistry of the glycosyl cation species upon its dynamic properties
is examined together with their vibrational spectra in order to gain insight into the effects of …

Enantiomers of a lipid erythro-sphingosine have been quantified with≈ 4% accuracy by UV
cold ion spectroscopy of their non-covalent complexes with a chiral aromatic molecule. The …

We present herein the design of a nano-electrospray ion source capable of reliable
generation of large quantities of microsolvated ions. The source is based on a triple …

Seit seiner Entstehung ist das Leben auf der Erde untrennbar mit Lipiden verbunden.
Lipidmembranen ermöglichen die räumliche Abtrennung von Organellen innerhalb von …

Solving native structures of such large molecules, like biomolecules, is often challenging,
particularly due to the potentially infinite number of non-covalent interactions with water. In …