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Here is presented the NIST Mass Calculator to provide both a relative molecular mass value (Mr) and an associated uncertainty value of a given protein sequence. The calculation of a protein Mr based on its amino acid residue sequence is performed by many
Zheng Zhang, Meghan Burke, William E. Wallace, Yuxue Liang, Sergey L. Sheetlin, Yuri Mirokhin, Dmitrii Tchekhovskoi, Stephen Stein
Recent reports have demonstrated that genetically variant peptides (GVPs) derived from human hair shaft proteins can be used to differentiate individuals of different biogeographic origin (Parker, G.J.; et al. PLos One. 2016, e0160653). We report a direct
Johanna Camara, Uliana Danilenko, Hubert W. Vesper, Gary L. Myers, Patric A. Clapshaw, W. Greg Miller
Manufacturers of in-vitro diagnostic medical devices, clinical laboratories, research laboratories and calibration laboratories require commutable reference materials that can be used in the calibration hierarchies of medical laboratory measurement
Tang Lin Teo, Katrice Lippa, Lindsey Mackay, Sharon Yong, Qinde Liu, Johanna Camara, Vincent Delatour, Tong Kooi Lee, Beatrice Lalere, Gavin O'Connor, Andr? Henrion, Megumi Kato, Jane L. Fernandes, Masahiko Numata, Ha-Jeong Kwon, Ji-Seon Jeong, Bei Xu, Jintana Nammoommoy, Dewei Song, Wagner Wollinger
Over two decades, the Organic Analysis Working Group (OAWG) of the Consultative Committee for Amount of Substance (CCQM) has organised a number of comparisons for clinically relevant small molecule organic biomarkers. These comparisons are hinged upon the
Brian J. Nablo, Jungjoon Ahn, Kiran Bhadriraju, Jong M. Lee, Darwin Reyes-Hernandez
We present the quantification of cell viability during neutral red (NR) uptake with a compact lens-free system utilizing two light sources. Conventionally, the NR uptake assay determines cell viability based on the accumulation of NR within lysosomes and
Accurate, traceable quantification of ribonucleotide or deoxyribonucleotide oligomers is achievable using acid hydrolysis and isotope dilution mass spectrometry (ID-MS). In this work, formic acid hydrolysis is demonstrated to generate stoichiometric
Brian T. Cooper, Xinjian Yan, Yamil Simon, Dmitrii V. Tchekhovskoi, Yuri A. Mirokhin, Stephen E. Stein
Metabolomics has a critical need for better tools for mass spectral identification. Common metabolites may be identified by searching libraries of tandem mass spectra, which offers important advantages over other approaches to identification. But tandem
M. L. De Leoz, David L. Duewer, Scientists Multiple, Stephen E. Stein
Glycosylation is a topic of intense current interest in the development of biologic drugs since it is related to drug safety and efficacy. This work describes results of an interlaboratory study on the glycosylation of NISTmAb, a monoclonal antibody
Katrice Lippa, David L. Duewer, Michael Nelson, Stephen Davies, Lindsey Mackay
Metrological traceability for organic measurements is a documented unbroken chain of calibrations with stated uncertainties that link the chemical result for a sample and a measurement procedure to a primary calibrator in appropriate SI units (e.g., mass
Mary Kombolias, Jan Obrzut, Michael T. Postek, Dianne L. Poster, Yaw S. Obeng
The current analytical techniques for characterizing printing and graphic arts substrates are largely ex situ and destructive. This limits the amount of data that can be obtained from an individual sample and renders it difficult to produce statistically
In the context of chemical metrology, calibration is the process of relating a known quantity of an analyte to the corresponding measured instrumental response through a mathematical relationship. Calibration permits the assignment of analyte levels in
Thomas Forbes, Jeffrey Lawrence, Jennifer R. Verkouteren, R. Michael Verkouteren
The opioid crisis and emergence of fentanyl, fentanyl analogues, and other synthetic opioids has highlighted the need for sensitive and robust detection for interdiction at screening points, notably vehicles at border crossings and packages at postal
The current opioid epidemic remains an ongoing challenge, exacerbated by the extreme potency of synthetic opioids (e.g., fentanyl and fentanyl analogues), leading to an increase in adulterated heroin-related deaths. The increasing prevalence of fentanyl
Zeeshan Ahmed, Nathan J. Castro, Matthew R. Hartings
Although the determination of pH is a standard laboratory measurement, new techniques capable of measuring pH are being developed to facilitate modern technological advances. Bio-industrial processing, tissue engineering, and intracellular environments
Screening technologies are necessary to counteract illegal trafficking of drugs and people through ports of entry in the United States and internationally. Here we present results from initial field testing of a recently-developed portable vapor sensing
Adam Kurtz, Jessica L. Reiner, Kristi West, Brenda Jensen
Perfluorinated alkyl acids (PFAAs) are persistent in marine biota and are toxic to many species, including marine mammals. We measured the concentrations of 15 PFAAs in liver and kidney samples of 16 species of stranded cetaceans from Hawai‘i and other
Arthur S. Edison, Adrien Le Guennec, Frank Delaglio, Eriks Kupce
We present an overview of 13C-based NMR metabolomics. At first glance, the low sensitivity of 13C relative to 1H NMR might seem like too great an obstacle to use this approach. However, there are several advantages to 13C NMR, whether samples can be
Chemometric analysis of comprehensive two-dimensional chromatography coupled to time-of-flight mass spectrometry data has been reported with various workflows. The report presented herein aims to investigate the effects of different pre-processing and
Yamil Simon, Ramesh Marupaka, Xinjian Yan, Yuxue Liang, Kelly H. Telu, Yuri A. Mirokhin, Stephen E. Stein
A large fraction of ions observed in electrospray liquid chromatography-mass spectrometry (LC-MS) experiments of biological samples remain unidentified. One the main reasons for this is that spectral libraries of pure compounds fail to account for the
Yamil Simon, Ramesh Marupaka, Xinjian Yan, Yuxue Liang, Kelly H. Telu, Yuri Mirokhin, Stephen E. Stein
A large fraction of ions observed in electrospray liquid chromatography–mass spectrometry (LC–ESI-MS) experiments of biological samples remain unidentified. One of the main reasons for this is that spectral libraries of pure compounds fail to account for
Background. Application of simple regularities and the general principles along with direct use of reference retention index data is a useful approach for reliable structure determination of compounds by GC-MS. Objective. Interpretation of anomaly in
Standard-sized ampoules for radioactive solution standards have been employed by the National Institute of Standards and Technology (NIST) for nearly the past 70 years. This note briefly summarizes the origins and history of the five different batches of
2018 marks the 50th anniversary of the introduction of energy dispersive X-ray spectrometry (EDS) with semiconductor detectors to electron-excited X-ray microanalysis. Initially useful for qualitative analysis, EDS has developed into a fully quantitative
Greta Dalle Luche, Susan Bengston Nash, John Kucklick, Fletcher M. Mingramm, Ashley Russell
Marine mammal blubber is known to have quantifiable concentrations of steroid hormones and is increasingly chosen as a matrix for the detection of these reproductive and stress biomarkers. Steroid hormones act through complex cascades, often in concert
Shinichiro N. Muramoto, J Greg Gillen, Cynthia J. Zeissler, Edward Garboczi
The size, shape, and spatial distribution of active pharmaceutical ingredient (API) particles are important physical characteristics of drug delivery systems that can affect the performance, stability, appearance, and even bulk properties of the end