Organic Analytics for Circular Economy
In addition, we develop analytical methods for small molecule analytics, metabolomics and structural analysis of supramolecules, intact proteins and metal coordination compounds.
Overview
Research group description
Our research focuses especially on the analytics of organic valuable substances and recovery of them from plant-based side streams. We analyse qualitatively and quantitatively the valuables that can be utilized from side streams and develop sustainable methods for their recovery. This requires solid expertise, especially in organic analytics, and efficient utilization of chromatographic and mass spectrometric methods.
In addition to the analysis of valuable substances, we develop versatile chromatography and mass spectrometry methods (e.g. UHPLC-MS, UHPLC-MS/MS, IM-MS, GC-MS, SFC) for the analysis of small molecules, e.g. for the needs of metabolomics, toxicology, ecology and environmental analysis.
Our special expertise has long included mass spectrometric methods regarding the structural chemistry of supramolecules and metal coordination compounds. We are one of the few experts in ion mobility mass spectrometry (IM-MS), and for years we have been developing research methods for the structural chemistry of various supramolecules and metal coordination compounds in the gas phase.
Reserach Instrumentation
Additional information on research instruments, instructions and reservations:
JYU Infrabooking Kemian laitos / Mass spectrometry Kemian laitos / Chromatography
Service requests: jyu-mslab@jyu.fi
Agilent 6560 HPLC-IM-TOF mass spectrometer
High-resolution, drift tube ion mobility mass spectrometer for structural chemistry of supramolecules, metal coordination compounds and intact proteins.
Agilent 6530 UHPLC-QTOF mass spectrometer
High-resolution mass spectrometer for UHPLC-MS and -MS/MS experiments. Equipped with UHPLC and UV detector. Mainly used for untargeted analytics of organic small molecules and synthetic products.
Infrabooking Agilent 1290 UHPLC / Agilent 6530 ESI-QTOF MS
Agilent 6460 UHPLC-triple quad mass spectrometer
TQ mass spectrometer equipped with UHPLC and DAD detector. Main use in small molecule targeted analytics.
Infrabooking Agilent 1290 UHPLC / Agilent 6460 triple quad
Agilent SFC/HPLC 1260 Infinity II Chromatograph
Supercritical fluid chromatography (CO2) and reversed-phase HPLC chromatography instrument with DAD detector. Mainly used for HPLC and chiral SFC analytics.
Infrabooking SFC/HPLC chromatpgraph
Research Projects
Analytics and recovery of organic values
Plant materials contain many usable compounds and components, i.e. organic valuables. In addition to fibers and plant protein, plants produce different organic valuable substances (phytochemicals), which are essential raw materials, e.g. for the food, pharmaceutical and cosmetics industries. These herbal ingredients contain many highly processed raw materials, such as antimicrobial compounds, flavoring compounds and additives, vitamins and flavonoids. One plant typically contains 500–1000 different usable compounds. Synthesizing highly refined compounds in the laboratory is often very resource-intensive, time-consuming, produces chemical waste as a by-product, and is expensive. In addition, some of the phytochemicals produced by plants we are not able to produce even on a laboratory scale, let alone industrial production. On the other hand, biomass obtained from plants or agricultural side-streams can also contain harmful, even toxic compounds that hinder the further use of the raw material, for example as a growing medium or as consumer products.
The goal of our research is to find the organic valuable substances in cultivated plants and in side streams of agriculture and food production, to develop their analytics and recovery methods so that the methods are both economically and environmentally sustainable.
The research is currently spearheaded by the project TURBITS - New crops from peatlands and biobased side-streams - Production chains, valuable materials and circular economy, funded by the Regional Council of Central Finland. In this project, the focus is especially on plants paludicultured in former peat production areas and on side-streams of primary production. The Bioeconomy Institute of Jyväskylä University of Applied Sciences acts as a partial implementer of the project.
Structural chemistry of supramolecules and coordination compounds in gas phase
Supramolecules are self-organized synthetic or biological complexes that can form reversible, environmentally adaptable structures ranging from capsules and cage structures to polymers with many important properties. They can act as receptors, transporters, catalysts or form dynamic surfaces. However, due to the dynamic and reversible nature of the interactions, studying the formed structures is often challenging. We have been developing structural analytical methods based on ion mobility mass spectrometry (IM-MS) for years. With the IM-MS method, in addition to the molecular weight, the physical size of the complex or coordination compound expressed as the collision cross section (CCS) can also be determined. In addition, we find out if complex exists in several conformers, whether the small molecular guest is located inside or outside the capsule, or what is the structure of the complex formed by the receptor and the substrate. The information obtained can also be combined with data obtained by other methods of structural chemistry, such as DFT or X-ray crystallography.
In recent years, we have been able to study many different supramolecules and coordination complexes, such as Au clusters, Salomon links, complexes of cucurbituriles, resorcinarenes, pyridinearenes and calixarenes, as well as many different metal coordination compounds.
Small molecule analytics
We also develop analytical methods for the analysis of various small molecules. Targeted and untargeted metabolomics and environmental analytics are of particular interest. Regarding metabolomics, we develop analytical methods especially for the needs of exercise physiology and ecology. We also offer service research in organic analytics.
