This invention relates to a method of determining ligands of macromolecules, said method comprising or consisting of (a) subjecting a sample comprising (i) complexes formed by said macromolecules and said ligands and (ii) unbound ligands to a method which separates said complexes from said unbound ligands; (b) releasing ligands from complexes obtained in step (a); and (c) subjecting the released ligands obtained in step (b) to a chemical analysis method, thereby determining said ligands of said macromolecules.

This invention relates generally to detection devices having one or more small wells each surrounded by, or in close proximity to, an NMR micro coil, each well containing a liquid sample with magnetic nanoparticles that self-assemble or disperse in the presence of a target analyte, thereby altering the measured NMR properties of the liquid sample. The device may be used, for example, as a portable unit for point of care diagnosis and/or field use, or the device may be implanted for continuous or intermittent monitoring of one or more biological species of interest in a patient.

Described herein are micro-coil hyperpolarized NMR systems and methods for measuring metabolic flux in living and non-living samples. Such systems can perform high throughput measurements (with multiple coils) of metabolic flux without destroying the material, making it useful to analyze tumor biopsies, cancer stem cells, and the like. In certain embodiments, a hyperpolarized micromagnetic resonance spectrometer (HMRS), described herein, is used to achieve real-time, significantly more sensitive (e.g., 10.sup.3-fold more sensitive) metabolic analyses of live cells or non-living samples. In this platform, a suspension mixed with hyperpolarized metabolites is loaded into a miniaturized detection coil (e.g., about 2 L), where the flux analysis can be completed within a minute without significant changes in viability. The sensitive and rapid analytical capability of the provided systems enables rapid assessment of metabolic changes by a given drug, which may direct therapeutic choices in patients.

A system for carrying out electrochemical nuclear magnetic resonance spectroscopy (EC-NMR) is disclosed, along with methods of manufacturing the EC-NMR system, and methods of using the EC-NMR system to monitor electrochemical reactions. The system comprises interdigitated electrodes arranged in a cylindrically symmetric manner. The system allows for nuclear magnetic resonance spectroscopy to be carried out on a sample during electrolysis with minimal effect to its sensitivity.

Curable compositions containing a compound comprising a conjugated diene group and a 1,1-di-activated vinyl compound are described. The curable compositions can cure by pericyclic reaction mechanisms.

Provided are batteries and fuel cells incorporating a stripline detector for use in nuclear magnetic resonance (NMR). The stripline batteries and fuel cells can be used for in situ NMR measurement of battery or fuel cell chemistry. Also provided are methods for measuring in situ battery and fuel cell NMR using the stripline batteries and fuel cells of the invention.

Computing systems and methods for characterizing a protein are provided. Each residue in a subset of the protein is in an amino acid type set and is represented by a vertex in a graph G formed from an atomic model of the protein. NMR data, acquired with some of the residues of the protein isotopically labeled, is used to form a graph H with each vertex representing a different residue of the protein and assigned one or more amino types. Placements of H onto G are formed, each including mappings assigning vertices in H to vertices in G subject to the constraints that vertices in H mapped to vertices in G cannot be of different amino acid types and edges between pairs of vertices in H must map to corresponding edges in G. For each vertex in H, the number of different valid mappings to G is determined by polling the placements as a constraint satisfaction problem and is deemed assigned when only a single unique assignment is identified.

A rotor housing assembly for NMR spectroscopy. An elongate rotor has a distal drive end, a proximal end and an internal sample space positioned along its length between the drive and proximal ends. The rotor is driveable about a rotation axis by a drive gas flow. A rotor housing has an interior space in which the rotor is at least partially received. At least one first heated gas flow inlet is positioned opposite the internal sample space, through which a first heated gas flow is controllably flowable into the interior space to heat it and the rotor. At least a pair of spaced apart second heated gas flow outlets are axially spaced from the first heated gas flow inlet to controllably convey a second heated gas flow to heat distal and proximal areas of the sample space to minimize a temperature gradient extending axially within the sample space.

A defined peak region residing between about 3.2 and 3.4 ppm of a proton NMR spectrum of an in vitro biosample is electronically evaluated to determine a level of trimethylamine-N-oxide (TMAO). The biosamples may be any suitable biosamples including human serum with a normal biologic range of between about 1-50 M or urine with a normal biologic range of between about 0-1000 M.

A monitoring device is provided for analytical measurement of reaction fluid produced in a reaction vessel in a spectrometer with a monitoring cell. The distribution apparatus includes at least four supply and return lines that open into the distribution apparatus, wherein the distribution apparatus comprises a distribution device for distributing reaction fluid to the supply and return lines. The distribution apparatus comprises a distribution vessel in which the distribution device and an electrically controllable pump device for pumping of the reaction fluid are provided, wherein the distribution device comprises an electrically controllable valve device for distributing the reaction fluid to the lines that open into the distribution vessel. A control and regulating device for electrical control of the pump device and of the valve device is provided, wherein reaction control is prompt, automated, and optimized with respect to process parameters, and wherein temperature control may include the entire flow path.