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We present UniSpec, an attention-driven deep neural network designed to predict comprehensive collision-induced fragmentation spectra, thereby improving peptide identification in shotgun proteomics. Utilizing a training data set of 1.8 million unique high
Yue Wu, Omid Sanati, Mario Uchimiya, Krish Krisnamurthy, Jonathan Wedell, Jeffrey C. Hoch, Arthur S. Edison, Frank Delaglio
Developments in untargeted nuclear magnetic resonance (NMR) metabolomics enable the profiling of thousands of bio-logical samples. Exploitation of this rich source of information requires detailed quantification of spectral features. How-ever, the
Linhua Tian, Aaron Nelson, Tyler Lowe, Linda Weaver, Constance Yuan, Paul DeRose, Maryalice Stetler-Stevenson, Lili Wang
Background: While response to antigen-based immunotherapy relies upon the level of antigen expression by tumor cells and as decreasing levels of antigen expression can be an early indicator of developing resistance to therapy, we have developed an antigen
In the rapidly evolving field of Methods in Computational Genomics this editorial series illuminates the forefront of experimental techniques and methodologies. From dissecting large multidimensional numeric datasets to predicting the functions of novel
Magnetic resonance imaging (MRI) is increasingly used for quantitative in-vivo measurements, including biomarkers based on relaxation times, diffusion, flow, temperature, local concentration of neurotransmitters and metabolites, tissue conductivity
William Valiant, Jon Borman, Kang Cai, Peter Vallone
An essential step in pharmaceutical product development is screening for contamination with adventitious agents, and there is desire to develop highly sensitive assays to detect adventitious viral nucleic acid. This study sought to examine the nucleic acid
Lipid nanoparticle-encapsulated messenger RNA (LNP-mRNA) holds great promise as a novel modality for treating a broad range of diseases. The ability to quantify mRNA accurately in therapeutic products helps to ensure consistency and safety. Here we
Ronald Pulivarti, Natalia Globus, Frederick R. Byers, Justin Wagner, Justin Zook, Samantha Maragh, Jennifer McDaniel, Kevin Wilson, Martin Wojtyniak, Brett Kreider, Ann-Marie France, Sallie Edwards, Tommy Morris, Jared Sheldon, Scott Ross, Phillip Whitlow
Genomic data has enabled the rapid growth of the U.S. bioeconomy and is valuable to the individual, industry, and government because it has multiple intrinsic properties that in combination make it different from other types of high value data which
Elena Jelisic, Nenad Ivezic, Boonserm Kulvatunyou, Perawit Charoenwut, Ana Nikolov
The COVID-19 pandemic has brought the cold chain for bio-pharmaceutical products to the spotlight. To preserve their structure and function, biopharmaceuticals such as cells, proteins and enzymes, RNA molecules, and RNA-based drugs (e.g., mRNA-based COVID
Benjamin Harding, Ziling Hu, Ashley Hiett, Frank Delaglio, Katherine Henzler- Wildman, Chad Rienstra
Solid-state NMR spectroscopy (SSNMR) is a powerful technique to probe structural and dynamic properties of molecules at an atomic level. Modern SSNMR methods employ multidimensional pulse sequences requiring data collection over a period of days to weeks
Karina Torres Castro, Katherine Acuna-Umana, Leonardo Lesser-Rojas, Darwin Reyes-Hernandez
Blood is a complex sample comprised mostly of plasma, red blood cells (RBCs), and other cells whose concentrations correlate to physiological or pathological health conditions. There are also many blood-circulating biomarkers, such as circulating tumor
Tracey Schock, Warwick Dunn, Julia Kuligowski, Jonathan Mosley, Candice Ulmer Holland, Dajana Vuckovic
Introduction: The Metabolomics Quality Assurance and Quality Control Consortium (mQACC) organized a workshop during the Metabolomics 2022 conference. Objectives: The goal of the workshop was to disseminate recent findings from mQACC community-engagement
Zvi Kelman, John Marino, William Brad O'Dell, Robert Brinson
Deuterium isotope labeling is an essential tool in overcoming size limitations for molecules larger than 30 kilodaltons (kDa) in nuclear magnetic resonance (NMR) spectroscopy. The yeast-expressed antigen-binding fragment (Fab) of NIST RM 8671 NISTmAb
Cecily Choy, Joseph Chen, Jiangyuan Li, Jian Lu, Daichao Wu, Ainslee Zou, Humza Hemani, Beverly Baptiste, Emily Wichmann, Qian Yang, Jeffrey Ciffelo, Rui Yin, Julia McKelvy, Denise Melvin, Tonya Wallace, Christopher Dunn, Cuong Nguyen, Chee Chia, Jingshui Fan, Jeannie Ruffolo, Linda Zukley, Guixin Shi, Tomokazu Amano, An Yang, Osorio Meirelles, Wells Wu, Rong-Fong Chen, RICHARD WILLIS, Minoru Ko, Y-T Liu, Supriyo De, Brian Pierce, Luigi Ferrucci, josephine egan, Roy Mariuzza, Nan-ping Weng, David Travis Gallagher
We analyzed circulating CD8+ T cells recognizing six epitopes from the SARS-CoV-2 nucleocapsid (N) protein in HLA-A2+ unexposed and recovered COVID-19 patients using multi-color flow cytometry and scRNAseq. We found that SARS-CoV-2 infection slightly
Previous studies of the protein kinase, ERK2, using NMR and hydrogen-exchange measurements have shown changes in dynamics accompanying its activation by phosphorylation. However, knowledge about the conformational motions involved is incomplete. Here, we
Ana Nikolov, Milos Drobnjakovic, Boonserm Kulvatunyou
An ontological perspective to addressing sustainability issues in biomanufacturing on the journey to the circular economy is represented in this pa-per. Even though sustainability goes beyond the environmental dimension from the triple bottom line
Milos Drobnjakovic, Guodong Shao, Ana Nikolov, Boonserm Kulvatunyou, Simon P. Frechette, Vijay Srinivasan
This paper presents a timely opportunity to ontologize a digital twin frame-work for manufacturing using recently published international standards and proposes a collaborative research effort to accomplish this task. The ISO/IEC 21838 series of standards
Elena Jelisic, Milos Drobnjakovic, Boonserm Kulvatunyou, Nenad Ivezic, Hakju Oh
The COVID-19 pandemic has brought to attention several supply chain challenges in the globalized biopharmaceutical industry. Demand fluctuations and the ability to effectively repurpose manufacturing facilities, and to dynamically adapt scheduling and
Amanda Bayless, Sandra Da Silva, William Davis, Abraham Kuri Cruz, Tracey Johnston, Stephanie Servetas, Paulina Piotrowski
The gut microbiome plays a critical role in a vast and disparate set of health and disease states, including cancer and obesity. Human fecal is a complex mixture including microbes, proteins, undigested plant matter and fat content according to the diet
Zhiyong He, Edward Kwee, Megan Cleveland, Kenneth Cole, Sheng Lin-Gibson, Hua-Jun He
Abstract Lentiviral vectors (LV) have proven to be powerful tools for stable gene delivery in both dividing and non-dividing cells. Approval of these LVs for use in clinical applications has been achieved by improvements in LV design. Critically important
Brian Searle, Allis Chien, Antonius Koller, David Hawke, Anthony Herren, Jenny Kim, Kimberly Lee, Ryan Leib, Alissa Nelson, Jian Min Ren, Paul Stemmer, Yiying Zhu, Ben Neely, Bhavin Patel
Recent advances in methodology have made phosphopeptide analysis a tractable problem for many proteomics researchers. There are now a wide variety of robust and accessible enrichment strategies to generate phosphoproteomes while free or inexpensive
Ashley Russell, Kerrianne Buchanan, David Griffith, Heather Evans, Dimitrios Meritis, Lisa Ng, Anna Sberegaeva, Michelle Stephens
The 2023 National Institute of Standards and Technology Environmental Scan provides an analysis of key external factors that could impact NIST and the fulfillment of its mission in coming years. The analyses were conducted through three separate lenses