DSM Materials Science Center

Small molecule profiling

Our capabilities

New insight

Through our capability in small molecule profiling we are giving customers fresh insight into their complex materials, which in turn is helping to reduce everything from volatiles to unwanted residues.

Solving real analytical problems

Just one way that our small molecule profiling capabilities have helped customers:

  • Detecting defects
    A manufacturer needed to understand the chemical structure of small molecules in their material to reduce volatiles, yellowing, odor and unwanted residues. So we delivered analysis of specific components in complex mixtures using LC/GC-MS-NMR.

This capability in small molecule profiling is driven by competences in molecular structures, quantification and data analysis & statistics.

Molecular structures

Molecular structures covers our ability to identify and characterize molecules. This means understanding the molecule and all the aspects of it; and knowing which technologies to apply, and how to integrate the data to describe it.

Techniques
SS- & L-NMR spectroscopy (500, 600 & 700 MHz)
HT & meltprobe
FTIR & Raman spectro- & microscopy
UV-VIS microscopy
Fluorescence microscopy
Ion mobility spectrometry
Mass spectrometry (MS/MS)
MALDI/ESI ASAP/EI/DCI, TOF-SIMS (Imaging) & MALDI Imaging
Technologies
NMR
Mass spectrometry
Vibrational spectroscopy
Electronic spectroscopy

Quantification

Quantification covers our ability to quantify molecules and assemblies of molecules.

In addition to asking ourselves ‘how much?’, we also need to ask how much a molecule is actually doing? And indeed what is it doing? From sample taking to preparation, detection and weighing, the only way to achieve this is with repeatable precision accuracy.

Techniques
L-NMR GC-(FID/NPD/SCD/AED)
GC-MS/MS, 2D-GC, (UP) LC, (UP)LC-MS/MS
Ion chromatography
HT-, LT- & Aq-SEC, SEC-MS, SEC-LC, SEC-MALS/RI/IR/Visco, SPE, SPME, Soxhlet, ASE TREF, Fractionation, XRF, µ-XRF, ICP-AES, NAA, ICP-AES, ICP-MS, CHN
Titrimetry, density, TOC
Exposure measurements - Gas Sampling
Technologies
Chromatography (liquid, gas)
Mass spectrometry
Spectroscopy

Data analysis & statistics

Our capability in data analysis & statistics includes the ability to process analytical raw data to enable its interpretation…and ultimately create information. Our ability to analyze and link data at different scientific levels is the key to increasing information density for our customers - and giving them new insight into their applications and how to improve them.

Techniques
DoE
White box modelling (Reaction kinetics)
Numerical mathematics
Method validation
Data mining
Chemometry (PLS, PCA)
6-Sigma support
Image data analysis
Algorithm development
Tools development (macros in Excel, GUI)
Sensometrics

Read more

  • Catalyst characterization

    Catalyst characterization

    Our unique combination of competences in morphology, process analytics and data analysis & statistics drives our work in catalyst characterization.