Abstract:
A probehead of an NMR-MAS apparatus with a rotation axis (RA), which lies in an xz-plane, titled by an angle θ>0 relative to a z-axis. The angle θ is adjusted by tilting around a tilt axis (DA) parallel to the y-axis relative to a target angle θtarget. An angle measurement apparatus (9) has a first sensor element (7), which, together with a second sensor element (8) generates sensor signals dependent on the amplitude B0 of the static magnetic field and the vectorial orientation between the magnetic field B0 and a sensitivity vector. Two sensitivity vectors have an angle 5° 10° to each other. The angle between the rotation axis and the z-axis can be measured precisely and reliably over a large range, providing a feedback signal for regulated adjustment or tracking of the angle θ.
Abstract:
The invention relates to a Nuclear Magnetic Resonance (NMR) spectroscopy device adapted for carrying out 1D and nD homo- and heteronuclear NMR spectroscopy measurements of a plurality of nuclei, comprising an RF coil adapted to transmit RF to and/or receive RF from a measuring volume, wherein the RF coil forms part of a non-tuned radiofrequency circuit. The invention further relates to a method of NMR data acquisition, a method of manufacturing a NMR spectroscopy device and a NMR-device holder.
Abstract:
Methods for detecting skin sensitization chemical compounds using Nuclear Magnetic Resonance (NMR) spectroscopy and/or a microplate spectrophotometric assay or other spectroscopic methods. The presently disclosed subject matter relates to a method of detecting skin sensitization potential of a test chemical compound using Nuclear Magnetic Resonance (NMR) spectroscopy, microplate spectrophotometry or other spectroscopic methods as stand-alone or in combination.
Abstract:
Monitoring cell (100) for performing an NMR measurement of a reaction fluid. The monitoring cell (100) has a hollow NMR sample probe (110) for receiving the reaction fluid. Inlet and outlet transport capillaries (112, 123) transport the reaction fluid to and from the sample probe (110). A feed line (306) and return line transport a temperature control fluid to and from the monitoring cell (100). An adapter head (108) couples the transport capillaries (112, 123) to the sample probe (110) and removably connects the sample probe (110) to an adapter section (106). The transport capillaries (112, 123) are positioned within the feed line (306) in parallel to one another. The feed and the return lines (306, 358) are attached to the adapter section (106) such that a reversal of the temperature control fluid stream occurs in the adapter section (106).
Abstract:
A method of predicting of chemical properties from spectroscopic data is described. The chemical property can be, for example, octanol-water partition coefficient (logP), skin permeability (log K,), or other biologically or ecologically relevant property, such as oral bioavailability, skin sensitization, acute aquatic toxicity, chronic aquatic toxicity, aquatic bioaccumulation, or mutagenicity. The spectroscopic data can be experimental or predicted NMR data, e.g., experimental or predicted 1H-NMR or 13C-NMR data.
Abstract:
An example pulse sequence for performing phase coherence order selection within a single transient acquisition includes an excitation pulse with a tip angle of 90° and phase φA, followed by a train of N refocusing pulses with tip angles of 180°, with the center of the first refocusing pulse occurring time τ after the center of the excitation pulse, and the center of the nth refocusing pulse occurring at time (2n+1)τ after the center of the excitation pulse. This causes a train of echoes to form at times 2nt after the center of the excitation pulse. In this example, the first refocusing pulse has phase φB, where \φB−φA\=90°, and each successive refocusing pulse (304) has a phase φδ greater than the last refocusing pulse. This incremental change in pulse phase over the course of the echo train has the effect of aiabatically “dragging” the echo phase around the unit circle in a predictable manner corresponding to the phase coherence order of the relevant signals.
Abstract:
A magnetic resonance pulse sequence technique may acquire a water reference spectrum and two water suppressed metabolite spectra and with frequency selective inversion pulse centered at either single frequency, at multiple frequencies, or in a single acquisition. Subtraction of the inverted from non-inverted water suppressed metabolite spectrum results in single or a combination of specific metabolite peak/peaks alone with a flat baseline for easier quantification.
Abstract:
In a method for determining a complex sensitivity factor of an RF reception coil, which is part of an arrangement of a number of RF reception coils of a magnetic resonance scanner, which are operates to simultaneously acquire magnetic resonance spectroscopy data, FID signals from a volume of interest are acquired simultaneously with each of the RF reception coils, and one of the RF reception coils is designated as a reference coil and its FID signal is designated as a reference signal. A complex sensitivity factor for each other RF reception coil is determined by minimizing the differences between a number of data points of its FID signal, weighted with the complex sensitivity factor, and the corresponding data points of the FID signal of the reference coil.
Abstract:
An embodiment of a method of detecting a J-coupling includes providing a polarized analyte adjacent to a vapor cell of an atomic magnetometer; and measuring one or more J-coupling parameters using the atomic magnetometer. According to an embodiment, measuring the one or more J-coupling parameters includes detecting a magnetic field created by the polarized analyte as the magnetic field evolves under a J-coupling interaction.
Abstract:
Methods, systems and circuits evaluate a subject's risk of developing type 2 diabetes or having prediabetes using at least one defined mathematical model of risk of progression that can stratify risk for patients having the same glucose measurement. The model may include NMR derived measurements of GlycA and a plurality of selected lipoprotein components of at least one biosample of the subject.