University of Gothenburg
Photo: Malin Arnesson

Small molecule-NMR

NMR is an outstanding method to identify and characterize small molecules, natural products and peptides. SNC offers expertise and high resolution systems with outstanding 13C sensitivity, optimal for detection of 1D and 2D spectra of complex small molecules or low solubility compounds.

NMR can be used to confirm or elucidate the structure of small molecules. We offer expertise and state-of-the art equipment to perform 1D or 2D 1H, 13C or 15N-detected NMR spectra on small, organic molecules or peptides.

We offer on-line setup of experiments in iconNMR. For moderate-to-high sample concentrations a suite of 1D and 2D 1H, 13C and 15N experiments such as COSY, TOCSY, NOESY, ROESY, HSQC,HSQC-TOCSY, HSQMBC and HMBC spectra can be run within a couple of hours. For low concentration samples, we offer measurement at 800 MHz using a TXO cold probe with very high 13C sensitivity, optimal for 13C detection (13C ASTM standard sample signal-to-noise 3300). Samples can be handled manually or in automation using SampleJets.

Our 600 MHz spectrometer (white) is equipped with diffusion probe/gradient stack capable of delivering high-power magnetic field gradients in all three axes. This enables measurement of diffusion and DOSY experiments, including large molecules and viscous solvents, as well as microimaging.

In order to make 1H 1D and certain 2D spectra such as TOCSY, COSY, NOESY, ROESY, HSQC simpler we offer broad-band and band-selective homonuclear 1H decoupling for moderate to high concentration samples.

Measurements of long range spin-spin 1H – 13C couplings can be useful for structure elucidation of small to medium sized molecule. We offer several HSQMBC and HSQC methods for the measurements of these including HSQMBC-TOCSY, HSQMBC-COSY, HSQC-TOCSY using the IPAP approach.

We also provide expertise in multiple solvent suppression by several methods to make recording spectra of samples in ethanol and other solvents easier. The method is also available in automation.

In small to medium sized molecule NMR selective and band selective excitation can be extremely useful to record 1D selective TOCSY, COSY, ROESY and NOESY experiments. We offer setup of both simple 1D selective and also 1D chemical shift selective experiments which makes the excitation of peaks possible even in regions of overlap.