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Brian Marquardt

Senior Principal Engineer

Email

marquardt@apl.washington.edu

Phone

206-685-0112

Publications

2000-present and while at APL-UW

Real-time understanding of lignocellulosic bioethanol fermentation by Raman spectroscopy

Ewanick, S.M., W.J. Thompson, B.J. Marquardt, and R. Bura, "Real-time understanding of lignocellulosic bioethanol fermentation by Raman spectroscopy," Biotechnol. Biofuels, 6, doi:10.1186/1754-6834-6-28, 2013.

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20 Feb 2013

A substantial barrier to commercialization of lignocellulosic ethanol production is a lack of process specific sensors and associated control strategies that are essential for economic viability. Current sensors and analytical techniques require lengthy offline analysis or are easily fouled in situ. Raman spectroscopy has the potential to continuously monitor fermentation reactants and products, maximizing efficiency and allowing for improved process control.

In this paper we show that glucose and ethanol in a lignocellulosic fermentation can be accurately monitored by a 785 nm Raman spectroscopy instrument and novel immersion probe, even in the presence of an elevated background thought to be caused by lignin-derived compounds. Chemometric techniques were used to reduce the background before generating calibration models for glucose and ethanol concentration. The models show very good correlation between the real-time Raman spectra and the offline HPLC validation.

Our results show that the changing ethanol and glucose concentrations during lignocellulosic fermentation processes can be monitored in real-time, allowing for optimization and control of large scale bioconversion processes.

Automated cosmic spike filter optimized for process Raman spectroscopy

Mozharov, S., A. Nordon, D. Littlejohn, and B. Marquardt, "Automated cosmic spike filter optimized for process Raman spectroscopy," Appl. Spectrosc., 66, 1326-1333, doi:10.1366/12-06660, 2012.

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1 Nov 2012

Despite the existence of various methods to remove cosmic spikes from Raman data, only a few of them are suitable for process Raman spectroscopy. The disadvantages of these algorithms include increased analysis time, low accuracy of spike detection, or reliance on variable parameters that must be chosen by trial and error in each case. We demonstrate a novel approach to detecting cosmic spikes in process Raman data and validate it using a wide range of experimental data. This new method features a multistage spike recognition algorithm that is based on tracking sharp changes of intensity in the time domain. The algorithm effectively distinguishes cosmic spikes from random spectral noise and abrupt variations of Raman peaks, allowing accurate detection of both high and low intensity cosmic spikes. The procedure is free from variable user-defined parameters and operates reliably in a fully automated manner with a wide range of time-series process Raman data sets containing more than 40 to 50 spectra.

Integration of continuous flow reactors and online Raman spectroscopy for process optimization

Roberto, M.F., T.I. Dearing, S. Martin, and B.J. Marquardt, "Integration of continuous flow reactors and online Raman spectroscopy for process optimization," J. Pharm. Innovation, 7, 69-75, doi: 10.007/s12247-012-9128-8, 2012.

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15 May 2012

The pharmaceutical industry has great need to reduce costs and improve manufacturing efficiency while consistently manufacturing quality drug product. Continuous flow reactors (CFRs) offer an option for a flexible, leaner, and cleaner process. CFRs are flow cells optimized for the continuous production of a target compound. Small-volume CFRs avoid some of the reaction control problems associated with scale-up to large-batch chemistry, while still allowing for process intensification through modular scale-out. Compared to batch reactors, CFRs are more energy efficient due to their superior mixing schemes and heat transfer properties. Reactions typically proceed much faster than in batch and require less excess solvent. Currently, CFRs are limited by the technologies available for online monitoring, which require product stream sampling and off-line analytics. This work addresses the analytical challenges inherent to CFRs by demonstrating the ability to assess the quality of product from a reactor stream rapidly, using effective online sampling and monitoring systems. Additionally, following the Quality by Design paradigm, techniques such as statistically based design of experiments, process analytical technologies, and multivariate statistical modeling methods were implemented to facilitate enhanced product and process understanding. An online sampling system that is able to interface with CFRs was developed, with custom software to monitor and control process variables using online analytics. Knowledge of these in-process parameters, combined with appropriate online process analytical technologies, provided a complete understanding of both the physical and chemical system. These improvements reduced the time an

More Publications

Extinction mapping of polycrystalline patterns.

Gunn, E., L. Wong, C.W. Branham, B. Marquardt, and B. Kahr, "Extinction mapping of polycrystalline patterns." Cryst. Eng. Comm., 13, 1123-1126, doi:10.1039/C0CE00359J, 2011.

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1 Apr 2011

Descriptions of polycrystalline patterns require the quantitative characterization of the organization of many crystallites. Automated linear birefringence imaging systems developed during the past 15 years are well suited to mapping crystallite orientation. Here, the rotating polarizer method is applied to the optical textures of polycrystalline phthalic acid spherulites.

Oxygen gas sensing by luminescence quenching in crystals of Cu(xantphos)(pehn) complexes

Smith, C.S., C.W. Branham, B.J. Marquardt, and K.R. Mann, "Oxygen gas sensing by luminescence quenching in crystals of Cu(xantphos)(pehn) complexes," J. Am. Chem. Soc., 132, 14079-14085, 2010.

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20 Sep 2010

We have shown that crystals of the highly emissive copper(I) compounds [Cu(POP)(dmp)]tfpb, [Cu(xantphos)(dmp)]tfpb, [Cu(xantphos)(dipp)]tfpb, and [Cu(xantphos)(dipp)]pftpb, (where POP = bis[2-(diphenylphosphino)phenyl]ether; xantphos = 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; dmp = 2,9-dimethyl-1,10-phenanthroline; dipp = 2,9-diisopropyl-1,10-phenanthroline (dipp); tfpb%u2212 = tetrakis(bis-3,5-trifluoromethylphenylborate); and pftpb = tetrakis(pentfluorophenyl)borate) are oxygen gas sensors. The sensing ability correlates with the amount of void space calculated from the crystal structures. The compounds exhibit linear Stern–Volmer plots with reproducible KSV constants from sample to sample; these results reinforce the observations that the sensing materials are crystalline and the sensing sites are homogeneous within the crystals. The long lifetime, high emission quantum yield, appreciable KSV value, and very rapid response time for [Cu(xantphos)(dmp)]tfpb are significantly better than those for the [Cu(NN)2]tfpb complexes studied previously and compare favorably with [Ru(4,7-Me2phen)3](tfpb)2.

The replacement of precious metals (like Ru or Pt) with copper may be technologically significant and the new compounds can be synthesized in one or two steps from commercially available starting materials. The strictly linear Stern–Volmer behavior observed for these systems and the absence of a polymer matrix that might cause variability in sensor to sensor sensitivity may allow a simple single-reference point calibration procedure, an important consideration for an inexpensive onetime limited use sensor that could be mass produced.

Characterization of crude oil products using data fusion of process Raman, infrared, and nuclear magnetic resonance (NMR) spectra

Dearing, T.I., W.J. Thompson, C.E. Rechsteiner, and B.J. Marquardt, "Characterization of crude oil products using data fusion of process Raman, infrared, and nuclear magnetic resonance (NMR) spectra," Appl. Spectrosc., 65, 181-186, doi:10.1366/10-05974, 2010.

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1 Feb 2010

Process Raman, infrared (IR), and nuclear magnetic resonance (NMR) analyses are currently being performed in industrial settings for the monitoring of large scale reactions. These methods offer a distinct set of advantages such as no sample preparation and rapid noninvasive remote analysis. Process Raman spectroscopy offers information pertaining to the molecular backbone as well as symmetrical non-polar groups. IR spectroscopy yields information pertaining to hydrogen bonding and asymmetric polar groups. NMR spectrometry provides highly resolved information detailing specific proton environments.

These distinct spectral characteristics present a unique opportunity to join together the Raman, IR, and NMR spectra to give one set of "fused" spectra containing complementary information from two sources (Raman and IR) and one orthogonal source (NMR) that describe an industrial process. Data fusion enables process modeling and control to be performed using a single data set. This study has applied the concept of data fusion to characterize a series of crude oil fractions. After collection, the respective spectra were scaled and fused together to form one contiguous spectrum. The multivariate models built using the fused data had a root mean square error of prediction (RMSEP) of 0.307%, a significant reduction in the prediction errors when compared to models built using the separate spectra. The use of data fusion with multiple analytical measurements reduces the error associated with inferential property models for industrial process monitoring, thus allowing for increased understanding and control of an industrial process.

Inventions

Optical Immersion Probe Incorporating a Spherical Lens

Patent Number: US 6,977,729 B2

Brian Marquardt, Lloyd W. Burgess

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Patent

20 Dec 2005

This invention provides a spherical lens optical immersion probe for use in analysis of solids, liquids, gases, powders, suspensions, slurries, particles and other homogeneous or heterogeneous samples. The use of a spherical lens in an optical immersion probe confers many advantages over traditional immersion probes including ease of use and accuracy of focus. The probe of this invention has applications to many types of optical spectroscopy methods including ultraviolet/visible (UV-Vis), near-infrared (NIR), mid-infrard (FTIR), fluorescence, and Raman spectroscopy. The spherical lens used in this invention is both the optical and sample interface in the analytical system, and may be used to both focus the excitation source and to collecting signal. Importantly, this invention has broad applications to any optical analytical technology that necessitates an optical immersion probe.

Optical Immersion Probe Incorporating a Spherical Lens

Patent Number: US 6,831,745 B2

Brian Marquardt, Lloyd W. Burgess

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Patent

14 Dec 2004

This invention provides a spherical lens optical immersion probe for use in analysis of solids, liquids, gases, powders, suspensions, slurries, particles and other homogeneous or heterogeneous samples. The use of a spherical lens in an optical immersion probe confers many advantages over traditional immersion probes including ease of use and accuracy of focus. The probe of this invention has applications to many types of optical spectroscopy methods including ultraviolet/visible (UV-Vis), near-infrared (NIR), mid-infrard (FTIR), fluorescence, and Raman spectroscopy. The spherical lens used in this invention is both the optical and sample interface in the analytical system, and may be used to both focus the excitation source and to collecting signal. Importantly, this invention has broad applications to any optical analytical technology that necessitates an optical immersion probe.

Acoustics Air-Sea Interaction & Remote Sensing Center for Environmental & Information Systems Center for Industrial & Medical Ultrasound Electronic & Photonic Systems Ocean Engineering Ocean Physics Polar Science Center
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