All-Weather Dry Decontaminant Polymer-HO Complex for HD Degradation.

Hydrogen peroxide (HO) is a highly effective decontaminant against chemical warfare agents (CWAs) when present both in a liquid and as a solid powder. For the latter, this can be in the form of HO being complexed to a polymer, such as polyvinylpyrrolidone (PVP). While a HO-PVP complex is indeed effective at decontaminating CWAs, it is vulnerable to environmental conditions such as high relative humidities (RH), which can dissociate the HO from the complex before it is given the opportunity to react with CWAs.

Quantitative Raman Cross-Sections and Band Assignments for Fentanyl and Fentanyl Analogs.

Raman cross sections and spectra were measured for five synthetic opioid fentanyl analogs: fentanyl citrate, sufentanil citrate, alfentanil HCl, carfentanil oxalate, and remifentanil HCl. The measurements were performed with excitation wavelengths in the visible (532 nm) and near infrared (785 nm). In addition, density functional theory (DFT) calculations were employed to generate simulated spectra of the compounds and aid in identification of the observed spectral modes.

Critical role of adsorption equilibria on the determination of surface-enhanced Raman enhancement.

Surface-enhanced Raman spectroscopy (SERS) is a useful technique for probing analyte-noble metal interactions and determining thermodynamic properties such as their surface reaction equilibrium constants and binding energies. In this study, we measure the binding equilibrium constants and Gibbs free energy of binding for a series of nitrogen-containing aromatic molecules adsorbed on Klarite substrates. A dual Langmuir dependence of the SERS intensity on concentration was observed for the six species studied, indicating the presence of at least two different binding energies.

State-by-state investigation of destructive interference in resonance Raman spectra of neutral tyrosine and the tyrosinate anion with the simplified sum-over-states approach.

UV resonance Raman scattering is uniquely sensitive to the molecular electronic structure as well as intermolecular interactions. To better understand the relationship between electronic structure and resonance Raman cross section, we carried out combined experimental and theoretical studies of neutral tyrosine and the tyrosinate anion. We studied the Raman cross sections of four vibrational modes as a function of excitation wavelength, and we analyzed them in terms of the contributions of the individual electronic states as well as of the Albrecht A and B terms.

Recent advances and remaining challenges for the spectroscopic detection of explosive threats.

In 2010, the U.S. Army initiated a program through the Edgewood Chemical Biological Center to identify viable spectroscopic signatures of explosives and initiate environmental persistence, fate, and transport studies for trace residues.

Bottom-up synthesis of anatase nanoparticles with graphene domains.

Using alizarin and titanium isopropoxide, we have succeeded in preparing a hybrid form of nanostructured graphene-TiO2 following a bottom-up synthetic approach. This novel graphene-based composite offers a practical alternative to synthesizing photocatalytically active materials with maximized graphene-TiO2 interface. The molecular precursor alizarin was chosen because it efficiently binds to TiO2 through the hydroxyl groups and already possesses the graphene building block through its anthracene basis.

Ultraviolet resonance Raman spectroscopy of explosives in solution and the solid state.

Resonance Raman cross sections of common explosives have been measured by use of excitation wavelengths in the deep-UV from 229 to 262 nm. These measurements were performed both in solution and in the native solid state for comparison. While measurements of UV Raman cross sections in solution with an internal standard are straightforward and commonly found in the literature, measurements on the solid phase are rare.

Surface-enhanced Raman scattering (SERS) evaluation protocol for nanometallic surfaces.

We present the results of a three-year collaboration between the U.S. Army Edgewood Chemical Biological Center and the U.

Comparison of visible and near-infrared Raman cross-sections of explosives in solution and in the solid state.

Raman cross-sections of explosives in solution and in the solid state have been measured using visible and near-infrared excitation via secondary calibration. These measurements are valuable for both fundamental scientific purposes and applications in the standoff detection of explosives. The explosive compounds RDX, HMX, TNT, 2,4-DNT, 2,6-DNT, and ammonium nitrate were measured using discrete excitation wavelengths ranging from 532 nm to 785 nm.

Characterization of polymorphic states in energetic samples of 1,3,5-trinitro-1,3,5-triazine (RDX) fabricated using drop-on-demand inkjet technology.

The United States Army and the first responder community are evaluating optical detection systems for the trace detection of hazardous energetic materials. Fielded detection systems must be evaluated with the appropriate material concentrations to accurately identify the residue in theater. Trace levels of energetic materials have been observed in mutable polymorphic phases and, therefore, the systems being evaluated must be able to detect and accurately identify variant sample phases observed in spectral data.

High-pressure Raman spectroscopy of tris(hydroxymethyl)aminomethane.

High-pressure Raman spectroscopy has been used to study tris(hydroxymethyl)aminomethane (C(CH(2)OH)(3)NH(2), Tris). Molecules with globular shapes such as Tris have been studied thoroughly as a function of temperature and are of fundamental interest because of the presence of thermal transitions from orientational order to disorder. In contrast, relatively little is known about their high-pressure behavior.

Bioaerosol analysis with Raman chemical imaging microspectroscopy.

Raman chemical imaging microspectroscopy is evaluated as a technology for waterborne pathogen and bioaerosol detection. Raman imaging produces a three-dimensional data cube consisting of a Raman spectrum at every pixel in a microscope field of view. Binary and ternary mixtures including combinations of polystyrene beads, gram-positive Bacillus anthracis, B.