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Tobias Rehfeldt, Ralf Gabriels, Robbin Bouwmeester, Siegfried Gessulat, Magnus Palmblad, Ben Neely, Yasset Perez-Riverol, Tobias Schmidt, Juan Antonio Vizcaino, Eric Deutsch
Dataset acquisition and curation are often the hardest and most time-consuming parts of a machine learning endeavor. This is especially true for proteomics-based LC-IM-MS datasets, due to the high-throughput data structure with high levels of noise and
Tsega Solomon, Frank Delaglio, John Giddens, John Marino, Yihua Bruce Yu, Marc Taraban, Robert Brinson
The clinical efficacy and safety of protein-based drugs such as monoclonal antibodies (mAbs) rely on the integrity of the protein higher order structure (HOS) during product development, manufacturing, storage, and patient administration. As mAb-based
Tsega Solomon, Yanan He, Fahriye Nese Sari, Yihong Chen, David Travis Gallagher, Philip Bryan, John Orban
Naturally occurring metamorphic proteins have the ability to interconvert from one folded state to another through either a limited set of mutations or by way of a change in the local environment. Here, we show that it is possible to switch reversibly
Carl Simon Jr., Peter Bajcsy, Joe Chalfoun, Michael Paul Majurski, Mary C. Brady, Mylene Simon, Nathan Hotaling, Nick Schaub, Allison Horenberg, Piotr Szczypinski, Dongbo Wang, Veronica DeFelice, Soweon Yoon, Stephanie Florczyk
The properties and structure of the cellular microenvironment can influence cell behavior. Sites of cell adhesion to the extracellular matrix (ECM) initiate intracellular signaling that direct cell functions such as proliferation, differentiation and
Mitochondrial content has been reported outside of cells either within extracellular ves-icles (EVs) or as free mitochondria. Mitochondrial EVs can potentially play multiple physiological and pathophysiological roles. To understand their functions
Stephanie Servetas, Kirsten Parratt, NIchole Brinkman, Orin Shanks, Ted Smith, Philip Mattson, Nancy Lin
The COVID-19 pandemic highlighted a wide range of public health system challenges for infectious disease surveillance. The discovery that the SARS-CoV-2 virus was shed in feces and can be characterized using PCR-based testing of sewage samples offers new
Yangyang Zhao, Boqun Dong, Kurt D. Benkstein, Lei Chen, Kristen L. Steffens, Stephen Semancik
Sensing biomarkers in exhaled breath offers a potentially portable, cost-effective, and noninvasive strategy for disease diagnosis screening and monitoring, while high sensitivity, wide sensing range, and target specificity are critical challenges. We
Preventing adventitious agents from contaminating pharmaceutical products has been an important goal of regulatory agencies and industry for decades. Contamination of these products does not only erode consumer trust but also can have potentially serious
Alexandros Chremos, Jack F. Douglas, Peter Basser, Ferenc Horkay
Articular cartilage is a composite gel-like material found in animal and human joints and exhibits a unique load-bearing performance that has been challenging to reproduce in synthetic materials and in molecular dynamics simulations. We investigate a
Mary Clare McCorry, Marcie Black, Chrysanthi Williams, Greta Babakhanova, Sumona Sarkar, Nathan Swami, Katherine A. Mirica, Sarah Boermeester, Abbie Underhill
The use of engineered cells, tissues, and organs has the opportunity to change the way injuries and diseases are treated. Commercialization of these groundbreaking technologies has been limited in part by the complex and costly nature of their manufacture
Lisa Kilpatrick, Roger Bouillon, Clay Davis, Clark Henderson, Andrew N. Hoofnagle, Steven Pauwels, Dirk Vanderschueren, Etienne Waelkens, Hans Wildiers, James H. Yen, Karen W. Phinney
Objectives: Vitamin D-binding protein (VDBP), a serum transport protein for 25-hydroxyvitamin D [25(OH)D], has three common proteoforms which have co-localized amino acid variations and glycosylation. A monoclonal immunoassay was found to differentially
Erich Jarvis, Giulio Formenti, Jennifer McDaniel, Nathanael David Olson, Justin Wagner, Justin Zook, Kerstin Howe, Karen Miga
The current human reference genome, GRCh38, represents over 20 years of effort to generate a high-quality assembly, which has benefitted society. However, it still has many gaps and errors, and does not represent a biological genome as it is a blend of
We establish here a set of cytocentric principles to improve use of cells for regenerative medicine (RM) applications. The five cytocentric principles are cells need 1) full-time protection from contamination, 2) physiologic simulation, 3) proper
Purpose. Antisense oligonucleotide (ASO) therapeutics are an emerging class of biopharmaceuticals to treat and prevent diseases, particularly those involving "undruggable" protein targets. Impurities generated throughout the ASO drug manufacturing and
Rob Marissen, Jeroen Laros, Josef Rasinger, Madhushri Varunjikar, Ben Neely, Magnus Palmblad
It has long been known that biological species can be identified from mass spectrometry data alone. Ten years ago, we described a method and software tool, compareMS2, for calculating a distance between sets of tandem mass spectra, as routinely collected
Given the complexity of proteins, the broad nature of infrared bands and the overlap of the HOH bending mode of water within the 1700 -1500 cm-1 spectral region, it was often considered too difficult to include side-chain vibrational modes in a description
Nancy Lin, Scott Jackson, Stephanie Servetas, Kirsten Parratt, Joy Dunkers, Tara Eskandari, Sheng Lin-Gibson
On September 17, 2020, NIST hosted a virtual workshop to launch the Rapid Microbial Testing Methods (RMTM) Consortium. The RMTM Consortium aims to address the need for measurements and standards to increase confidence in the use of rapid testing for
Kevin Kiesler, Lisa Borsuk, Becky Steffen, Katherine Gettings, Peter Vallone
The U.S. National Institute of Standards and Technology (NIST) sequenced 1036 human DNA samples from four United States population groups (African American, Asian, Hispanic, and Caucasian) using the ForenSeq DNA Signature Prep Kit with Primer Mix B (DPMB)
Rees Garmann, Aaron Goldfain, Cheylene Tanimoto, Christian Beren, Fernando Vasquez, Daniel Villarreal, Charles Knobler, William Gelbart, Vinothan Manoharan
Concepcion Remoroza, Meghan Burke Harris, Xiaoyu (Sara) Yang, Sergey Sheetlin, Yuri Mirokhin, Sanford Markey, Dmitrii V. Tchekhovskoi, Stephen E. Stein
We present a mass-spectral library-based method for analyzing site-specific N-linked protein glycosylation. Its operation and utility are illustrated by applying it to both newly measured and available proteomics data of human milk glycoproteins. It
Matthew DiSalvo, Belen Cortes Llanos, Cody LaBelle, David Murdoch, Nancy Allbritton
Microarrays are essential components of analytical instruments. The elements of microarrays may be imbued with additional functionalities and encodings using composite materials and structures, but traditional microfabrication methods present substantial
Nancy Lin, Stephanie Servetas, Scott Jackson, Katrice Lippa, Kirsten Parratt, Philip Mattson, Clare Beahn, Mia Mattioli, Sally Gutierrez, Michael Focazio, Ted Smith, Paul Storella, Sarah Wright
Wastewater surveillance is a promising approach to monitor biological and chemical contaminants on a community level in support of public health and safety decisions. Wastewater surveillance has recently been shown highly effective for the early detection
Jack F. Douglas, Alexandros Chremos, Peter Basser, Ferenc Horkay
We investigate the solution and osmotic properties of uncharged compact nanogel particles over a wide range of solvent qualitiy and particle concentration by molecular dynamics simulation. The in uence of the solvent quality is characterized by changes in
Owen Becette, Anh Tran, Jace Jones, John Marino, Robert Brinson
Nucleic acids are an increasingly popular platform for the development of biotherapeutics to treat a wide variety of illnesses, including diseases where traditional drug development efforts have failed. To date, there are 14 short oligonucleotide