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Author: william wallace iii
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1. Pairwise Alignment of Chromatograms using a Fisher-Rao Metric
Published: 9/2/2014
Authors: William E Wallace III, Anuj Srivastava, Kelly H Telu, Yamil Simon
Abstract: A new approach to aligning chromatograms is introduced and applied to examples of metabolite identification by liquid chromatography mass spectrometry (LC MS). A square root representation of the chromatogram‰s derivative coupled with a Fisher Rao R ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=915245

2. Stochastic Regression Modeling of Chemical Spectra
Published: 8/14/2014
Authors: Anthony J Kearsley, William E Wallace III, Yutheeka Gadhyan
Abstract: A stochastic regression method has been developed that decomposes chemical spectra into separate contributions from signal and from noise. The numerical results of regressing in this way on sample spectra are presented. The results suggest that this ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=915073

3. Metabolite Profiling of a NIST Standard Reference Material for Human Plasma (SRM 1950) ‹ GC/MS, LC/MS, NMR and Clinical Laboratory Analyses, Libraries and Web-based resources
Published: 10/22/2013
Authors: Yamil Simon, Mark S Lowenthal, Lisa Ervin Kilpatrick, Maureen L Sampson, Kelly H Telu, Paul A Rudnick, William Gary Mallard, Daniel W Bearden, Tracey Beth Schock Schock, Dmitrii V Tchekhovskoi, Niksa Blonder, Xinjian Yan, Yuxue Liang, Yufang Zheng, William E Wallace III, Pedatsur Neta, Karen W Phinney, Alan T. Remaley, Stephen E Stein
Abstract: Recent progress in metabolomics and the development of increasingly sensitive analytical techniques have renewed interest in global profiling, i.e., semi-quantitative monitoring of all chemical constituents of biological fluids. In this work, we have ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=913835

4. Automated Data Processing and Quantification in Polymer Mass Spectrometry
Published: 12/1/2011
Authors: Till Gruendling, Christopher Barner-Kowollik, William E Wallace III, Charles Martin Guttman, Anthony J Kearsley
Abstract: An overview is given of some new techniques in quantitative composition and molecular mass distribution measurement of synthetic polymers by mass spectrometry. New concepts in data analysis, including peak picking and integration, are also described ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=907901

5. Providing NIST Supervisors with a Continuous Learning Program
Series: NIST Interagency/Internal Report (NISTIR)
Report Number: 7776
Published: 4/14/2011
Authors: David Wesley Griffith, Susan F Heller-Zeisler, Joy A. Herman, Andrew Jackson, Janine Kerns, Donna J Kimball, William E Wallace III, Brian A Weiss
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=907759

6. CONTINUOUS FLOW ENZYME-CATALYZED POLYMERIZATION IN A MICROREACTOR
Published: 3/25/2011
Authors: Santanu S. Kundu, Atul S Bhangale, William E Wallace III, Kathleen M. Flynn, Charles Martin Guttman, Richard Gross, Kathryn L Beers
Abstract: Enzymes immobilized on solid supports are increasingly used for chemical transformation because the process is greener and sustainable. Here we use microreactors to study enzyme catalyzed ring opening polymerization of -caprolactone to polyca ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=906532

7. Combinatorial Screening of Hydrogels for 3-D Cell Culture: Osteoblasts in Stiffness Gradients Yield Graded Tissues
Published: 7/1/2010
Authors: Kaushik Chatterjee, Sheng Lin-Gibson, William E Wallace III, Marian F Young, Carl George Simon Jr
Abstract: A combinatorial library approach was used to demonstrate that hydrogel scaffold modulus can enhance osteoblast differentiation driving formation of a 3-D graded tissue construct. Though many previous studies have focused on screening cell-material i ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=902328

8. Molecular Mass Distribution Measurement by Mass Spectrometry
Series: Special Publication (NIST SP)
Report Number: 960-21
Published: 5/19/2010
Authors: William E Wallace III, Charles Martin Guttman
Abstract: This NIST Recommended Practice Guide presents a method using mass spectrometry to make a quantitative determination of the molecular mass distribution of narrow polydispersity synthetic molecular materials. The main obstacle for converting an oligo ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=905144

9. Reactive MALDI Mass Spectrometry of Saturated Hydrocarbons: A Theoretical Study
Published: 5/1/2010
Authors: William E Wallace III, Lewandowski Hans, Meier J Robert
Abstract: Recently it has been shown that the cobaltocenium cation, prepared by the laser ablation of a CoCp(CO)2/fullerene matrix, may react with alkanes and polyethylenes in the gas phase via a dehydrogenation reaction to produce [Co(Cp)2(alkadiene)]+ ions ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=904785

10. IMMOBILIZED ENZYME CATALYZED POLYMERIZATION REACTIONS IN MICROREACTORS
Published: 1/1/2010
Authors: Santanu S. Kundu, Atul Bhangale, William E Wallace III, Kathleen M. Flynn, Richard Gross, Kathryn L Beers
Abstract: Application of microreactor technologies enable improved safety, selectivity and yield in a range of chemical reactions in addition to new measurement methods that are often faster, cheaper and more accurate than traditional methods. In this study w ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=904143



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