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Chemistry

Analytical chemistry

News and Updates

Projects and Programs

NCNR DAC and CCUS efforts

Ongoing
Overview Capture of carbon dioxide from the air (direct air capture; DAC) combined with energy efficiency and carbon capture, utilization and storage (CCUS)

Publications

Communicating Confidence of Per- and Polyfluoroalkyl Substance (PFAS) Identification via High Resolution Mass Spectrometry

Author(s)
Joseph Charbonnet, Carrie McDonough, Feng Xiao, Trever Schwichtenberg, Dunping Cao, Sarit Kaserzon, Kevin Thomas, Pradeep Dewapriya, Benjamin Place, Emma Schymanski, Jennifer Field, Damian Helbling, Christopher Higgins
Per- and polyfluoroalkyl substances (PFASs) are important environmental contaminants, yet relatively few analytical reference standards exist for this class

Reference Materials for MS-based Untargeted Metabolomics and Lipidomics: A Review by the Metabolomics Quality Assurance and Quality Control Consortium (mQACC)

Author(s)
Katrice Lippa, William Davis, Christina Jones, Tracey Schock, Juan Aristizabal-Henao, Richard Beger, John Bowden, Corey Broeckling, Chris Beecher, Warwick Dunn, Roberto Flores, Goncalo Gouveia, Thomas Hartung, Matthew Lewis, Ioanna Ntai, Andrew Percy, Dan Raftery, Jinchun Sun, Georgios Theodoridis, Fariba Tayyari, Federico Torta, Candice Ulmer, Baljit Ubhi
Introduction The metabolomics quality assurance and quality control consortium (mQACC) is enabling the identification, development, prioritization and promotion

Software

NIST Mass and Fragment Calculator Software

The NIST Mass and Fragment Calculator is a program written in Visual Basic which calculates the mass of an input peptide or protein sequence along with m/z ions
DTSA II

NIST DTSA-II

NIST DTSA-II builds on the best available algorithms in the literature to simulate, quantify and plan energy dispersive x-ray analysis measurements.

JB95 Spectral fitting program

A graphical user interface program, JB95, based on a Windows 95© API platform has been written in the C programming language to aid in the analysis of complex
chromatography program

Simulated Chromatographic Data

The following information is provided as an aid in the validation of mathematical models used in quantitation with chromatographic data. This data may also be

Tools and Instruments

HNL650-small

Focused Ion Beam (Helios 660)

The Helios 660 NanoLab(HNL660) is a Focused Ion Beam Scanning Electron Microscope equipped with spectroscopic detectors to allow elemental and phase

Focused Ion Beam

The Nova NanoLab 600 (NNL600) is a Focused Ion Beam Scanning Electron Microscope equipped with spectroscopic detectors to allow elemental and phase measurements

X-Ray Diffractometer

The Bruker D8 defractometer is a general purpose X-ray diffraction system. The instrument features easy reconfiguration of the X-ray optics for a variety of

Awards

David Long Honored with PECASE

For outstanding contributions to the fields of trace gas analysis, the carbon cycle, atmospheric studies and pollution monitoring through