The higher order structure (HOS) of biotherapeutics is a critical quality attribute that can be evaluated by nuclear magnetic resonance (NMR) spectroscopy at atomic resolution. NMR spectral mapping of HOS can be used to establish HOS consistency of a biologic across manufacturing changes or to compare a biosimilar to an innovator reference product. A previous inter-laboratory study performed us...

Information obtained from Nuclear Magnetic Resonance (NMR) experiments is encoded as a set of constraint lists when calculating three-dimensional structures for a protein. With the amount of constraint data from the world wide Protein Data Bank (wwPDB) that is now available, it is possible to do a global, large-scale analysis using only information from the constraints, without taking the coord...

A novel application of two-dimensional correlation analysis has been employed to filter (1)H NMR heparin spectra distinguishing acceptable natural variation and the presence of foreign species. Analysis of contaminated heparin samples, compared to a dataset of accepted heparin samples using two-dimensional correlation spectroscopic analysis of their 1-dimensional (1)H NMR spectra, allowed the s...

W e encourage our authors to consider the use of absolute quantitative 1 H NMR spectroscopy to determine the purity of biologically tested research compounds. The Perspective by Pauli et al. (DOI: 10.1021/jm500734a) in this issue provides an excellent overview of quantitative 1 H NMR spectroscopy methods and their use for purity determination. The major advantages of these techniques are that t...

A novel acrylate monomer containing 4H-pyran-4-one and 1,2,3-triazole ring, {1-[4-(4-oxo-6-phenyl-4H-pyran-2-yl)benzyl]-1,2,3-triazol-4-yl}methyl acrylate was synthesized by the reaction of 2-{4-[(4-(hydroxymethyl)-1,2,3-triazol-1-yl)methyl]phenyl}-6-phenyl-4H-pyran-4-one with acryloyl chloride in the presence of triethylamine. The structure of the acrylate monomer was established on the basis ...

Tacrine (9-amino-1,2,3,4-tetrahydroacridine) as a reversible inhibitor of acetylcholinesterase (AChE),was the first drug for the symptomatic treatment of Alzheimer’s disease (AD). NMR structuredetermination still presents some considerable challenges: the method is limited to systems ofrelatively small molecular mass, data collection times are long, data analysis remains a lengthyprocedure, and...

We have recently proposed the concept of soft N-modular redundancy (soft NMR) [1] in order to design robust and energy-efficient computing systems in nanoscale processes, where soft NMR was shown to achieve orders-of-magnitude improvement in robustness with significant power savings over NMR. In this paper, we analyze the performance of soft NMR and compare it with that of NMR and algorithmic n...