University of Virginia Patent Foundation

Brightspec, Inc.

Justin L Neill

Brooks Hart Pate

Brent Harris

Matt Muckle

Daniel W Armstrong

Roger Reynolds

Alexander V Mikhonin

Walter H Colsman

Brooks H Pate

Molecular rotational resonance (MRR) spectroscopy is a structurally-specific, high-resolution spectroscopy technique that can provide accurate reaction process data with finer time resolution than existing techniques. It is the only analytical technique that can make online chiral composition measurements. This makes it especially useful for online reaction monitoring, which is done today by manually pulling off samples and measuring samples offline and takes 3-4 hours per measurement. Conversely, an MRR spectrometer can resolve isomers in about 10 minutes when fed with a low-volatility sampling interface that connects directly to the reaction line. The sampling interface measures a precise sample of the reaction solution, boils off the solvent to concentrate the analyte, volatilizes the analyte, and injects the volatilized analyte into the MRR spectrometer's measurement chamber for an MRR measurement. The sample concentration and volatilization happen quickly and without any extra sample preparation.

Methods and apparatus for low-volatility sampling

The capabilities of a gas or liquid chromatography-molecular rotational resonance (GC/LC-MRR) instrument exceed those of high-resolution mass spectrometry and nuclear magnetic resonance in terms of selectivity, resolution, and compound identification. MRR detection provides high specificity for selective gas- or liquid-phase separations, including the ability to resolve co-eluting peaks and isomeric compounds without any loss of specificity or accuracy. MRR can perform both qualitative identification and absolute quantification of analyte components separated by GC or LC without a reference standard. GC-MRR is ideal for compound-specific isotope analysis (CSIA) and can identify enantiomers and enantiomeric excess. GC-MRR measurements are especially useful for studying biosynthetic/degradation and geochemical isotopic compounds.

Highly selective chromatography-molecular rotational resonance spectroscopy systems and methods

Methods and apparatuses for direct multiplication Fourier transform millimeter wave spectroscopy are disclosed herein. A sample method includes generating at least one pulse of microwave electromagnetic energy. The sample method also includes frequency-multiplying the pulse(s) to generate at least one frequency-multiplied pulse and filtering at least one spurious harmonic of the frequency-multiplied pulse to generate at least one filtered pulse. The spurious harmonic is generated by frequency-multiplying the pulse. The method also includes exciting a sample using the filtered pulse. The method further includes detecting an emission from the sample. The emission is elicited at least in part by the filtered pulse.

Methods and apparatus for direct multiplication Fourier transform millimeter wave spectroscopy

An emission can be obtained from a sample in response to excitation using a specified range of excitation frequencies. Such excitation can include generating a specified chirped waveform and a specified downconversion local oscillator (LO) frequency using a digital-to-analog converter (DAC), upconverting the chirped waveform via mixing the chirped waveform with a specified upconversion LO frequency, frequency multiplying the upconverted chirped waveform to provide a chirped excitation signal for exciting the sample, receiving an emission from sample, the emission elicited at least in part by the chirped excitation signal, and downconverting the received emission via mixing the received emission with a signal based on the specified downconversion LO signal to provide a downconverted emission signal within the bandwidth of an analog-to-digital converter (ADC). The specified chirped waveform can include a first chirped waveform during a first duration, and a second chirped waveform during a second duration.

Segmented chirped-pulse fourier transform spectroscopy

Segmented chirped-pulse Fourier transform spectroscopy

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Charlottesville, VA, United States of America

Justin L Neill