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Chemistry

Projects/Programs

Displaying 151 - 173 of 173

Surface Roughness

Ongoing
During forming, many alloys develop surface finishes with undesirable features such as orange-peel, banding, or roping. In addition to being cosmetically unacceptable, heterogeneous surface deformation also initiates strain localization that induces necking, tearing, or wrinkling in the part
Research Grade Testing Material (RGTM 10212), Synthetic Fecal Metabolite Calibrant (Credit: NIST)

Synthetic Fecal Metabolite Calibrant Solution (RGTM 10212)

Ongoing
Metabolomics is an exciting and dynamic field in life sciences that harnesses cutting-edge technologies to identify and characterize small molecules, or metabolites, within cells, tissues, or organisms, collectively known as the metabolome. The wealth of evidence in the literature underscores the

US TAG for ISO/TC 334: Reference Materials

Ongoing
Get involved: Interested US Stakeholders may participate in the US TAG at no cost. Membership provides access to all ISO/TC 334 and US TAG documents, including standards under development. Please click here to join or renew your membership. Contribute to standards development : Please click here to

Tandem Mass Spectral Library

Ongoing
Intended Impact Modern mass spectrometers commonly generate ions by electrospray mass spectrometry which are separated and then fragmented by collisional dissociation. This process yields fragment ion ‘fingerprints’ (or mass spectra) that are widely used to identify the individual components in a

Tension-Compression Testing

Ongoing
The inability to reliably predict the mechanical behavior of new automotive alloys during forming has generated strong demand for more advanced constitutive relationships and property data necessary to calibrate them. There is a particular need for models that incorporate combined kinematic and
Schematic figure illustrating the principle of operation of a mass spectrometer, showing deflection of ions based on mass.

Theoretical Mass Spectrometry

Ongoing
No Description Intended Impact Unknown compounds will be identified more reliably. Quality control for the NIST Mass Spectrometry Database will be enhanced. Goals Develop software tools for predicting microcanonical branching fractions automatically. This is currently too laborious and too technical
reaction coordinate

Thermodynamics of Enzyme-catalyzed Reactions

Ongoing
Current efforts are focused on industrially important biotransformation problems such as those found in hydrogenation, hydroxylation, aromatic amino acid metabolic pathways, and biofuel applications. The methods used include calorimetry, chromatography, enzymology, and spectrophotometry. The

THz Detection of Corrosion on Rebar Embedded in Concrete

Ongoing
We developed a new technology to detect and quantify the extent of corrosion in embedded rebar using Terahertz (THz) and microwave spectroscopies. This new method exploits the likelihood that a number of iron corrosion products are antiferromagnetic and absorb THz and microwave radiation. In this

Time-of-Flight Secondary Ion Mass Spectrometry

Ongoing
ToF-SIMS is an imaging mass spectrometry (MS) technique that allows us to obtain isotopic, elemental, and molecular information from the surface of solid samples. A pulsed, energetic “primary” ion beam bombards the surface and induces a collision cascade, liberating “secondary” ions that are then

Training for Screeners and Lab Staff

Ongoing
Advances in primary screening technologies (x-ray, CT, AIT) have allowed the detection and discrimination of bulk quantities of potentially dangerous compounds on people or in bags. However, a secondary screening method - typically based on trace detection - is still required for correct
Online video tutorials education button in Laptop notebook computer screen. Play lesson concept. Vector illustration

Tutorials in Analytical Chemistry

Ongoing
Topic Links Laboratory Operations and Sample Processing Use of Analytical Balances Video N/A Volumetric Transfer of Liquids Video PowerPoint Determination of Liquid Density Video PowerPoint Preparation of Calibration Solutions Video PowerPoint Soxhlet Extractions Video PowerPoint Pressurized Fluid
Ultra-dense networks

Ultra-dense Networks

Ongoing
Propagation and system modeling: New propagation models are needed for ultra-dense networks. Driven by legacy cellular systems, most models currently available are tower-to-ground with base stations typically at 30 m and above. Device-to-device links, however, will be ground-to-ground: picocells on
Illustration of three models with low, medium and high granularity.

Understanding Protein Solution Phase Behavior via Coarse-Grained Modeling

Ongoing
Intended Impact Because biological systems span a broad range of length and time scales, they cannot be studied effectively using conventional all-atom simulations. While hardware advances represent one route to improving the computational tractability of simulating biological systems, significant

Unfolding and Aggregation of Therapeutic Proteins

Completed
A stable protein formulation is essential to the safety of mAb drugs. In particular, mAb drug solutions formulated at high concentrations can undergo various biophysical instabilities, such as aggregation and liquid-liquid phase separation. These undesired solution properties are primarily driven by

Uniaxial Tension Beyond Necking

Ongoing
A major limitation of the uniaxial tensile test (ASTM E8) is that after a certain amount of tensile strain, the sample eventually undergoes a mechanical instability - it forms a neck. Although the sample continues to plastically deform, the stress can no longer be unambiguously determined as load
Breathalyzer

Vapor Sampling in the Field

Ongoing
Breath sampling of cannabis users. Several versions of breath collection devices are being marketed for the detection of THC (delta-9-tetrahydrocannabinol) in the breath of cannabis users. THC is not directly correlated to intoxication but may indicate recent smoking or vaping. THC and other
Dvme-Schematic

Vapor Sampling to Support Public Safety and Forensics

Ongoing
Vapor pressures of unstable, reactive compounds. Over the last decade, our group has investigated a variety of low-volatility compounds including taggants (found in explosives), biofuels, terpenes and cannabinoids. Dynamic vapor microextraction (DVME), developed at NIST, is a small-volume dynamic
Figure with data points and lines, with the x axis labeled “unreliability” and the y axis labeled “error”.

Virtual Measurements

Ongoing
Intended Impact When engineering data, such as for reactive-chemical hazards, are obtained using quantum chemistry, the lack of associated uncertainties means that the reliability of the data is poorly known. Safety thus requires a skeptical view, often leading to expensive over-design. Objective
Photograph of SRM 972a Vitamin D metabolites in Frozen Human Serum showing a labeled box and four bottles labeled level 1 to level 4.

Vitamin D Metabolites Quality Assurance Program (VitDQAP)

Completed
Interlaboratory comparison studies of the VitDQAP supported the reliability of vitamin D measurements, including determination of 25-hydroxyvitamin D2, 25-hydroxyvitamin D3, and 3- epi-25-hydroxyvitamin D3 in human serum and plasma. Results from the comparison studies helped participants to make
water

Water Measurement Science

Ongoing
Measurements and Standards for Contaminants in Water Accurate measurements of contaminants in water are critical to ensure the usability and safety of our water supplies. NIST has developed Standard Reference Materials (SRMs) for validating or calibrating methods for inorganic contaminants including
Catalyst Testbed

X-ray Testbed for Breakthrough Catalyst Measurements

Ongoing
Interested in collaborating? See below What does this project do for industry? Current measurement techniques are unable to follow the reaction pathways during catalysis and are limited to observing only the end products or looking at catalysts outside of realistic reaction conditions. Our new