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Mestrelab peer reviewed papers

Improving the Performance of High-Precision qNMR Measurements by a Double Integration Procedure in Practical Cases

Quantitative 1H NMR (qNMR) is a widely applied technique for compound concentration and purity determinations.

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Mestrelab peer reviewed papers

EXtended ACquisition Time (EXACT) NMR – A Case for ′Burst′ Non-Uniform Sampling

A strong case exists for the introduction of burst non-uniform sampling (NUS) in the direct dimension of NMR spectroscopy experiments.

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Mestrelab peer reviewed papers

Exploring the use of Generalized Indirect Covariance to reconstruct pure shift NMR spectra: Current Pros and Cons

The current Pros and Cons of a processing protocol to generate pure chemical shift NMR spectra using Generalized Indirect Covariance are presented and discussed.

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Mestrelab peer reviewed papers

Access to experimentally infeasible spectra by pure-shift NMR covariance

Covariance processing is a versatile processing tool to generate synthetic NMR spectral representations without the need to acquire time-consuming experimental datasets.

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qNMR: the best pulse length for acquisition

I recently had the chance to catch up with qNMR “guru”, friend, and collaborator – Torsten Schönberger (BKA, Germany). After a few “Kölsch” beers, attention naturally […]
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Mestrelab peer reviewed papers

Proton magnetic resonance spectroscopy in oncology: the fingerprints of cancer?

Abnormal metabolism is a key tumor hallmark. Proton magnetic resonance spectroscopy (1H-MRS) allows measurement of metabolite concentration that can be utilized to characterize tumor metabolic changes. 1H-MRS measurements of specific metabolites have been implemented in the clinic.

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Pure Shift NMR Covariance

Novel pure shift NMR experiments Pure shift NMR experiments is a current topic of high interest in NMR spectroscopy. Since the pioneer work done by Zangger […]
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Edited Sum Integration for qNMR

Edited Sum Integration for qNMR

Dr John Gauvin (DSM, Holland) recently gave an excellent webinar presentation where he compared the errors and accuracy that can be expected when either “sum” or “peaks” (GSD) integration is used

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Mestrelab peer reviewed papers

Fast and Efficient Fragment-Based Lead Generation by Fully Automated Processing and Analysis of Ligand-Observed NMR Binding Data

NMR binding assays are routinely applied in hit finding and validation during early stages of drug discovery, particularly for fragment-based lead generation. To this end, compound libraries are screened by ligand-observed NMR experiments such as STD, T1ρ, and CPMG to identify molecules interacting with a target.

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