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XAFS Data Interchange: A single spectrum XAFS data file format

June 9, 2016

Author(s)

Bruce D. Ravel, M. Newville

We propose a standard data format for the interchange of XAFS data. The XAFS Data Interchange (XDI) standard is meant to encapsulate a single spectrum of XAFS along with relevant metadata. XDI is a text-based format with a simple syntax which clearly

Precision Spectroscopy to Enable Traceable Dynamic Measurements of Pressure

June 4, 2016

Author(s)

Kevin O. Douglass, Zeeshan Ahmed, Douglas A. Olson

We present recent work aimed at creating a standard for the dynamic measurement of pressure. A near-IR laser spectroscopy system is demonstrated for measuring 8 cm-1 in 50 µs with a 4 kHz repetition rate.

Distance Measurements between Paramagnetic Ligands Bound to Parallel Stranded Guanine Quadruplexes

June 2, 2016

Author(s)

Matthew P. Donohue, Veronika A. Szalai

Aside from a double helix, DNA folds into non-canonical structures, one of which is the guanine quadruplex. Cationic porphyrins bind guanine quadruplexes, but the effects of ligand binding on the structure of guanine quadruplexes with more than four

Inelastic Mean Free Paths, Mean Escape Depths, Information Depths, and Effective Attenuation Lengths for Hard X-ray Photoelectron Spectroscopy

June 1, 2016

Author(s)

Cedric J. Powell, Shigeo Tanuma

An overview is given of recent work on the determination of inelastic mean free paths, mean escape depths, information depths, and effective attenuation lengths for applications in hard X-ray photoelectron spectroscopy (HAXPES). Sources of data are

Summary of results from the 2014/2015 Hydrocarbon Intercalibration Experiment (HIE)

May 27, 2016

Author(s)

Christopher Reddy, Stephen Wise, Lane C. Sander, Jacolin Murray

Following an open meeting entitled, "Hydrocarbon Chemistry QA/QC," at the 2014 Gulf of Mexico Oil Spill and Ecosystem Science Conference in Mobile, Alabama, the Gulf of Mexico Research Initiative (GoMRI) initiated the Hydrocarbon Intercalibration

Persistent organic pollutants in blood samples of Southern Giant Petrels (Macronectes giganteus) from the South Shetland Islands, Antarctica

May 26, 2016

Author(s)

Fernanda I. Colabuono, Stacy Schuur, Kevin Huncik, Satie Taniguchi, Petry V. Maria, John Kucklick, Rosalinda C. Montone

Seabirds play an important role as top consumers in the food web and can be used as biomonitors of exposure to pollutants. Contamination studies on seabirds involving non-destructive sampling methods are of considerable importance, allowing better

Structure Elucidation of Mixed-Linker Zeolitic Imidazolate Frameworks by Solid-State 1H CRAMPS NMR Spectroscopy and Computational Modeling

May 23, 2016

Author(s)

Ryan C. Nieuwendaal, Krishna Jayachandrababu, Ross Verploegh, Johannes Leisen, David Sholl, Sankar Nair

Mixed-linker zeolitic imidazolate frameworks (ZIFs) are nanoporous materials that exhibit continuous and controllable tunability of properties like effective pore size, hydrophobicity and organophilicity. The structure of mixed-linker ZIFs has been studied

Single-particle-ICP-MS Advances

May 21, 2016

Author(s)

Antonio R. Montoro Bustos, Michael R. Winchester

Towards a dynamic pressure standard based on laser absorption spectroscopy

May 20, 2016

Author(s)

Kevin O. Douglass, Douglas A. Olson

We describe an approach for creating a cost-effective, field deployable dynamic pressure standard based on measurement of fundamental quantum properties of molecular systems. From the linewidth and intensities of ro-vibrational transitions we plan on

Inductive Micro-Flash Desorption for a Molecular-Level Understanding of Fuel Lubricity

May 19, 2016

Author(s)

Kimberly N. Urness, Thomas J. Bruno

Liquid fuels aboard high-performance aircraft currently fulfill the role of both the propellant and the heat sink for regenerative cooling. The fuels themselves have now reached their thermal capacity for effective cooling, and any additional heat load

Ion trap mobility spectrometry nuisance alarm threshold analysis for illicit narcotics based on environmental background and a ROC-curve approach

May 18, 2016

Author(s)

Thomas Forbes, Marcela N. Najarro

The discriminative potential of an ion trap mobility spectrometer (ITMS) for trace detection of illicit narcotics relative to environmental background was investigated with a receiver operator characteristic (ROC) curve framework. The ITMS response of

Comparison measurements of low-pressure between a laser refractometer and ultrasonic manometer

May 13, 2016

Author(s)

Patrick F. Egan, Jack A. Stone Jr., Jacob E. Ricker, Jay H. Hendricks

We have developed a new low-pressure sensor which is based on the measurement of (nitrogen) gas refractivity inside a Fabry-Perot (FP) cavity. We compare pressure determinations via this laser refractometer to that of well-established ultrasonic manometers

Raman analysis of bond conformations in the rotator and premelting states of normal alkanes

May 9, 2016

Author(s)

Anthony P. Kotula, Angela R. Hight Walker, Kalman D. Migler

We perform Raman spectroscopic measurements on normal alkanes (C nH 2n+2) with 21 {less than or equal to} n {less than or equal to} 60 with a specific focus on the conformational disorder that occurs below the melt temperature. We employ a three-state

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