We are happy to introduce our new RCMS publication about our recent addition to ms.epfl.ch toolbox: Aom2S. It was designed specifically for the automated analysis of oligonucleotide HR-MS/MS data. Aom2S offers the possibility to identify main type of fragments together with a-B ions, neutral losses, base losses and internal fragments. The assignment of all these product…
By Erica Giraldi: The formation of triple-stranded helicates was first observed by high resolution ESI mass spectrometry. The functionalized helicates are attractive nanoscale building blocks for more complex supramolecular assemblies, as evidence by the synthesis of the largest trianglimine reported to date. Dominant peaks in the mass spectrum can be attributed to the trianglimine with…
The ISIC-EPFL mass spectrometry platform team present a poster at the American society of mass spectrometry (ASMS2020) annual conference. Unfortunately, this year the Face-to-Face 68th ASMS Conference was cancelled due to the COVID-19 pandemic. Even if recording a talk is completely different from present a poster, we are excited to present this poster and video…
Test the new exercises section on the ChemCalc website. They are generated randomly by means that every student has a different series (detailed statistics about the progression)! You don’t need any installation and no login is needed. Don’t forget to visit also our teaching section here.
ChemCalc website, published back in 2012, received recently a new look that brings mobile device compatibility. This website allows among others to calculate monoisotopic mass and isotopic distribution as well as to find molecular formula from a monoisotopic mass.
As Desport et al cited in their publication, synthetic macromolecules consist of distributions of sizes, chemical compositions, functionalities and eventually architectures. MSPolyCalc could be an ideal MS tool for the data interpretation of this tremendous number of signals. Read the paper here
Paul Dyson group describes how N‐formylation of amines with CO2 is base‐catalyzed. Moreover, studies of salt catalysts reveal that the reaction is efficiently catalyzed by “free” floating anions of high basicity, Martin used our free tool soup fragments to unravel the different ionic clusters formed in his experiments. Read details here
Second article in collaboration with Prof. Dyson group using Aom2s software. Designed, synthesized and studied by Lucinda Batchelor, a varying spacer lengths of a series heterobimetallic Ru-Au complexes have been evaluated using our mstooblox. Check the article in here.
During this very productive collaboration with Suzanne Jansze (Prof. Severin team) we have characterize the largest palladium cages described to date (15KDa). We have use soup of fragments to identify the different Pd complexes formed under Cold-Spray Ionization. Check the article in here.
Aom2 was used for the first time to study the ubiquitin-Cisplatin interaction. Ronald Lee’s works show clearly that the metallodrug interactions with proteins are considerably more complex that one would think. The use of Aom2 was critical to identify the numerous species founded after CID. Read the article here.
First work of Giacomo Cecot (Prof. Severin team) using SoF to characterize the different metallic complexes observed during the MS experiments. This work describes experimentally and theoretically different aspects about metallasupramolecular geometries. Read the article in here.
Luc Patiny team describes a simple approach to develop chemical web services. In this first steps, the chemcalc project allows multiple MS calculations such as isotopic distribution simulation, peptide fragmentation simulation, and molecular formula determination. Read the full paper here.