Lignin Structure and Reactivity in the Organosolv Process Studied by NMR Spectroscopy, Mass Spectrometry, and Density Functional Theory.

There is need for well-defined lignin macromolecules for research related to their use in biomaterial and biochemical applications. Lignin biorefining efforts are therefore under investigation to meet these needs. The detailed knowledge of the molecular structure of the native lignin and of the biorefinery lignins is essential for understanding the extraction mechanisms as well as chemical properties of the molecules.

Chemical mass shifts of cluster ions and adduct ions in quadrupolar ion traps revisited and extended.

Rationale: Chemical mass shifts in quadrupolar ion traps have been studied previously but only for a limited number of analytes and mass ranges. Here, mass shifts of cluster ions, commonly used as calibrants, and other analytes are qualitatively evaluated on the Bruker amaZon spherical ion trap (QIT) and the Finnigan LXQ linear ion trap (LIT). To extend the mass range from previous experiments m/z up to 4000 are investigated.

SpheriCal -ESI: A dendrimer-based nine-point calibration solution ranging from m/z 273 to 1716 for electrospray ionization mass spectrometry peptide analysis.

Rationale: A calibration solution for mass spectrometry needs to cover the range of interest with intense and sufficiently narrowly spaced peaks. Limited options fulfilling this may lead to compromises between performance and ease of use. SpheriCal -ESI was designed to combine high calibration performance for electrospray ionization (ESI) mass spectrometric analysis of peptides in positive mode with quick and easy use.

An automated system for CE-MALDI and on-target digestion under a fluorocarbon lid applied on spermatophore proteins from Pieris napi.

A method for off-line CE-MALDI-TOF-MS and MS, and on-target digestion under a fluorocarbon lid was developed and applied for the analysis of proteins in the spermatophore of the butterfly Pieris napi. Fractionation revealed many peptides otherwise not detected or resolved. Automated fractionation was performed with an in-lab developed robotic system, and automated on-target tryptic digestion under a fluorocarbon lid was demonstrated with the same system.

Design and synthesis of theranostic antibiotic nanodrugs that display enhanced antibacterial activity and luminescence.

We report the modular formulation of ciprofloxacin-based pure theranostic nanodrugs that display enhanced antibacterial activities, as well as aggregation-induced emission (AIE) enhancement that was successfully used to image bacteria. The drug derivatives, consisting of ciprofloxacin, a perfluoroaryl ring, and a phenyl ring linked by an amidine bond, were efficiently synthesized by a straightforward protocol from a perfluoroaryl azide, ciprofloxacin, and an aldehyde in acetone at room temperature. These compounds are propeller-shaped, and upon precipitation into water, readily assembled into stable nanoaggregates that transformed ciprofloxacin derivatives into AIE-active luminogens.

Simple and Environmentally Friendly Fabrication of Superhydrophobic Alkyl Ketene Dimer Coated MALDI Concentration Plates.

Here we present a method to manufacture peptide-concentrating MALDI-plates with alkyl ketene dimer (AKD) as a new superhydrophobic coating. The fabrication of the hydrophobic plates included application of AKD by airbrush, and negative contact printing to generate the concentration sites. Deposited sample droplets were contained within the prestructured sites, and self-adjusted onto the site if slightly misplaced.