Rapid remodeling of the soil lipidome in response to a drying-rewetting event - Multi-Omics Data Package DOI Data package contents reported here are the first version and contain pre- and post-processed data acquisition and subsequent downstream analysis files using various data source instrument...
Last updated on 2023-05-02T18:08:23+00:00 by LN Anderson Fungal Monoisolate Multi-Omics Data Package DOI "KS4A-Omics1.0_FspDS68" Molecular mechanisms underlying fungal mineral weathering and nutrient translocation in low nutrient environments remain poorly resolved, due to the lack of a platform for...
MERS-CoV Experiment MDC001 Processed Omics Data Unavailable This experiment evaluated primary human dendritic cells infected with a wild type MERS-CoV (icMERS) virus. Related Experimental Data BioProject: PRJNA315103 GEO: GSE79172 (mRNA transcriptome response) Acknowledgment of Federal Funding The...
Human infections caused by viral pathogens trigger a complex gamut of host responses that limit disease, resolve infection, generate immunity, and contribute to severe disease or death. Here, we present experimental methods and multi-omics data capture approaches representing the global host...
Biography Young-Mo Kim is a senior bioanalytical chemist at PNNL. He received his PhD from Pohang University of Science and Technology in the School of Environmental Science and Engineering, studying analysis of metabolites during the bacterial and fungal degradation of xenobiotic substrates using...
Biography Kristin Burnum-Johnson is a senior scientist and team lead of the Biomolecular Pathways team at PNNL. Burnum-Johnson earned her PhD in Biochemistry from Vanderbilt University with Professor Richard M. Caprioli and then completed a postdoctoral fellowship at PNNL with Dr. Richard D. Smith...
Biography Carrie Nicora is a senior research scientist (chemist III) at PNNL, specializing in high-throughput scientific research sample management using modular automation techniques for processing a wide range of biological specimens for proteomic, metabolomic, and lipidomic analysis. She is an...
Biography Dr. Smith's research interests span the development of advanced analytical methods and instrumentation, with particular emphasis on high-resolution separations and mass spectrometry, and their applications in biological and biomedical research. This has included creating and applying new...
pmartR Software Overview The pmartR package provides a single software tool for QC (filtering and normalization), exploratory data analysis (EDA), and statistical analysis (robust to missing data) and includes numerous visualization capabilities of mass spectrometry (MS) omics data (proteomic...
LIQUID Software Overview LIQUID provides users with the capability to process high throughput data and contains a customizable target library and scoring model per project needs. The graphical user interface provides visualization of multiple lines of spectral evidence for each lipid identification...
Predicting accurate nuclear magnetic resonance chemical shieldings relies upon cancellation of different types of errors between the theoretically calculated shielding constant of the analyte of interest and the reference. Often, the intrinsic error in computed shieldings due to basis sets...
In highly alkaline “water-in-salt” Na2O/Al2O3/H2O solutions where the monomeric Al(OH)4– anion dominates, isolation of transitional species that seed crystallization of sodium aluminate salt hydrates has been challenging. For example, discrimination of dimeric [for example, Al2O(OH)62–] species via...
X-ray, energetic photon, and electron irradiation can ionize and electronically excite target atoms and molecules. These excitations undergo complicated relaxation and energy-transfer processes that ultimately determine the manifold system responses to the deposited excess energy. In weakly bound...
The molecular speciation of aluminum (Al3+) in alkaline solutions is fundamental to its precipitation chemistry within a number of industrial applications that include ore refinement and industrial processing of Al wastes. Under these conditions, Al3+ is predominantly Al(OH)4–, while at high [Al3+]...
The theoretical prediction of x-ray absorption spectra (XAS) has become commonplace in electronic structure theory. The ability to better model and understand L-edge spectra is of great interest in the study of transition metal complexes and a wide variety of solid state materials. However, until...