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Chemistry

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Displaying 276 - 300 of 1924

MULTI-COLLECTOR CONFIGURATION CONSIDERATIONS AND SUBSTRATE RELATIVE SENSITIVITY FACTOR EFFECTS FOR AGE-DATING MEASUREMENTS OF PARTICLES BY LARGE GEOMETRY SECONDARY ION MASS SPECTROMETRY

October 1, 2021
Author(s)
Todd Williamson, David S. Simons, John D. Fassett
Chronometry (a.k.a age-dating, AD) of materials by bulk mass spectrometric methods is a well-established technique based on analysis protocols that have been used in geological fields and by the non-proliferation communities for many years. Recently, it

An Introduction to the Benchmarking and Publications for Non-Targeted Analysis Working Group

September 29, 2021
Author(s)
Benjamin Place, Elin Ulrich, Jonathan Challis, Alex Chao, Bowen Du, Kristin Favela, Yong-Lai Feng, Christine Fisher, Piero Gardinali, Alan Hood, Ann Knolhoff, Andrew McEachran, Sara Nason, Seth Newton, Brian Ng, Jamie Nunez, Katherine Peter, Allison Phillips, Natalia Quinete, Ryan Renslow, Jon Sobus, Eric Sussman, Benedikt Warth, Samanthi Wickramasekara, Antony Williams
Non-targeted analysis (NTA) encompasses a rapidly evolving set of mass spectrometry techniques aimed at characterizing the chemical composition of complex samples, identifying unknown compounds, and/or classifying samples, without prior knowledge regarding

High-Precision Hy-CI and E-Hy-CI studies of Atomic and Molecular Properties

September 29, 2021
Author(s)
James S. Sims, Maria Ruiz, Bholanath Padhy
This review presents a survey of the most important achievements in atomic and molecular calculations obtained with the Hylleraas-configuration interaction method (Hy-CI) and its extension the exponentially correlated Hylleraas-configuration interaction

Quantitative Craniofacial Analysis and Generation of Human Induced Pluripotent Stem Cells for Muenke Syndrome: A Case Report

September 22, 2021
Author(s)
Fahad Kidwai, Byron Mui, Konstantinia Almpani, Priyam Jani, Cyrus Keyvanfar, Kulsum Iqbal, Sriram Paravastu, Deepika Arora, Pamela Orzechowski, Randall Merling, Barbara Mallon, Jeremiah Woodcock, Vamsee Myneni, Moaz Ahmad, Paul Kruszka, Maximilian Muenke, Pamela Robey, Janice Lee
In this case report, we focus on Muenke syndrome (MS), a disease caused by the p.Pro250Arg variant in fibroblast growth factor receptor 3 (FGFR3) and characterized by uni- or bilateral coronal suture synostosis, macrocephaly without craniosynostosis

Effect of Chlorine and Chromium on Sulfur Solubility in Low-Activity Waste Glass

September 21, 2021
Author(s)
Tongan Jin, Eden Rivers, Dongsang Kim, Timothy Droubay, Evan Jahrman, Derek Mar, Brigitte Weese, Gerald Seidler, Albert Kruger
According to an empirical sulfur solubility model developed from over 200 simulated low-activity waste (LAW) glasses, chlorine and chromium show strong effects on lowering sulfur solubility in glass. This work investigates the saturation concentrations of

Origin of enhanced water oxidation activity in an iridium single atom anchored on NiFe oxyhydroxide catalyst

August 31, 2021
Author(s)
Xueli Zheng, Jing Tang, Allesandro Gallo, Jose A. Garrido Torres, Xiaoyun Yu, Peter Ercius, Haiyan Mao, Emily Been, Constantine J. Athanitis, Sirine C. Fakra, Chengyu Song, Ryan Davis, Jeffrey A. Reimer, John Vinson, Michal Bajdich, Yi Cui
The efficiency of the synthesis of renewable fuels and feedstocks from electrical sources is limited, at present, by the sluggish water oxidation reaction. Single-atom catalysts (SACs) with a controllable coordination environment and exceptional atom

Naturally occurring organobromine compounds (OBCs) including polybrominated dibenzo-p-dioxins in the marine sponge Hyrtios proteus from The Bahamas

August 25, 2021
Author(s)
Qiong Wu, Natalie Eisenhardt, Stephanie Shaw, Joseph Pawlik, John Kucklick, Walter Vetter
Halogenated natural products (HNPs) were identified from organic extracts of the marine sponge Hyrtios proteus from The Bahamas (Caribbean, FAO fishing area 31) using gas chromatography with electron capture negative ion mass spectrometry (GC/ECNI-MS) and

Ultraviolet Radiation Technologies and Healthcare Associated Infections: Standards and Metrology Needs

August 20, 2021
Author(s)
Dianne L. Poster, C Cameron Miller, Richard Martinello, Norman Horn, Michael T. Postek, Troy Cowan, Yaw S. Obeng, John J. Kasianowicz
The National Institute of Standards and Technology (NIST) hosted an international workshop on ultraviolet-C (UV-C) disinfection technologies on January 14 – 15, 2020 in Gaithersburg, Maryland in collaboration with the International Ultraviolet Association

Representing and Comparing Site-Specific Glycan Abundance Distributions of Glycoproteins

July 30, 2021
Author(s)
Concepcion Remoroza, Meghan Burke Harris, Yi Liu, Yuri Mirokhin, Dmitrii V. Tchekhovskoi, Xiaoyu (Sara) Yang, Stephen E. Stein
A method for representing and comparing distributions of N-linked glycans located at specific sites in proteins is presented. The representation takes the form of a simple mass spectrum for a given peptide sequence, with each peak corresponding to a

Spin Reorientation in Antiferromagnetic Layered FePt5P

July 30, 2021
Author(s)
Xin Gui, Madalynn Marshall, Ranuri Dissanayaka Mudiyanselage, Ryan Klein, Qiang Chen, Qiang Zhang, William Shelton, Haidong Zhou, Craig Brown, Huibo Cao, Martha Greenblatt, Weiwei Xie
FePt5P, a new substitutional variant of the CeCoIn5 structure type in space group P4/mmm, was synthesized by high-temperature solid-state method and structurally characterized by X-ray diffraction. FePt5P contains layers of FePt12 clusters formed by

Fluorescence Microscopy Reveals Structure-Property Relationships and Polymer Dynamics in Biocomposites

July 21, 2021
Author(s)
Quinn Easter, Shawn Chen, Jeremiah Woodcock, Amanda Souna, Sindhu Seethamraju, Jan Obrzut, Douglas M. Fox, Stephan J. Stranick, Jeffrey Gilman
OBJECTIVES: Developing the next generation of materials for use in restorative work requires a multifaceted approach. While mimicking the properties of the tooth, currently available dental composites and porcelains eventually fail and require replacement

MS_Piano: A Software Tool for Annotating Peaks in CID Tandem Mass Spectra of Peptides and N-Glycopeptides

July 15, 2021
Author(s)
Xiaoyu (Sara) Yang, Pedatsur Neta, Yuri Mirokhin, Dmitrii V. Tchekhovskoi, Concepcion Remoroza, Meghan Burke Harris, Yuxue Liang, Sanford Markey, Stephen E. Stein
Annotating product ion peaks in tandem mass spectra is essential for evaluating spectral quality and validating peptide identification. This task is more complex for glycopeptides and is crucial for the confident determination of glycosylation sites in

Assessment of Serum Total 25 Hydroxyvitamin D Assay Commutability of Standard Reference Materials and College of American Pathologists Accuracy Based Vitamin D (ABVD) Scheme and Vitamin D External Quality Assessment Scheme (DEQAS) Materials: Vitamin D Sta

July 1, 2021
Author(s)
Johanna Camara, Stephen A. Wise, Andrew Hoofnagle, Emma L. Williams, Graham D. Carter, Julia C. Jones, Carolyn Burdette, Grace Hahm, Federica Nalin, Adam J. Kuszak, Joyce M. Merkel, Ramon Durazo-Arvizu, Pierre Lukas, E. Cavalier, Christian Popp, Christian Beckert, Jan Schultess, Glen Van Slooten, Carole Tourneur, Camille Pease, Ravi Kaul, Alfredo Villarreal, Fiona Ivison, Ralf Fischer, Jody M. van den Ouweland, Chung S. Ho, Emmett W. Law, Jean-Nicolas Simard, Renaud Gonthier, Brett Holmquist, Marcelo C. Batista, Heather Pham, Alex Bennett, Sarah Meadows, Lorna Cox, Eugene Jansen, Dilshad A. Khan, Kimberly Robyak, Michael H. Creer, Mark Kilbane, Patrick J. Twomey, James Freeman, Neil Parker, Jinyun Yuan, Robert Fitzgerald, Sohail Mushtaq, Michael W. Clarke, Norma Breen, Christine Simpson, Christopher T. Sempos
An interlaboratory study was conducted through the Vitamin D Standardization Program (VDSP) to assess commutability of Standard Reference Materials® (SRMs) and proficiency testing/external quality assessment (PT/EQA) samples for determination of serum

Super-Ancillary Equations for Cubic Equations of State

June 29, 2021
Author(s)
Ian Bell, Ulrich K. Deiters
Calculation of thermodynamic phase equilibrium is error-prone and can fail both near the critical point and at very low temperatures because of the limited precision available in double precision arithmetic. Most importantly, these calculations frequently

Survey of Data and Models for Refrigerant Mixtures Containing Halogenated Olefins

June 1, 2021
Author(s)
Ian Bell, Demian Riccardi, Ala Bazyleva, Mark O. McLinden
We survey existing data for refrigerant blends containing halogenated olefins (hydrofluoroolefins (HFO), hydrochlorofluoroolefins (HCFO), and hydrochloroolefins (HCO)) in the open literature. The data are primarily taken from the NIST SOURCE database and
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