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Chemistry

Molecular characterization

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  • Published Date
Displaying 26 - 50 of 101

Glycosylation and the global virome

October 10, 2022
Author(s)
Cassandra Pegg, Benjamin Schulz, Ben Neely, Gregory Albery, Colin Carlson
The sugars that coat the outsides of viruses and host cells are key to successful disease transmission, but they remain understudied compared to other molecular features. Understanding the comparative zoology of glycosylation - and harnessing it for

Mass Spectral Library Methods for Analysis of Site-Specific N-Glycosylation: Application to Human Milk Proteins

September 16, 2022
Author(s)
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

In-situ studies of the swelling by electrolyte in the electrochemical doping of an ethylene glycol substituted polythiophene

June 13, 2022
Author(s)
Lee J. Richter, Lucas Flagg, Lauren Asselta, Nicholas D'Antona, Natalie Stingelin, Tommaso Nicolini, Jonathan Onorato, Christine Luscombe, Ruipeng Li
Organic mixed ionic electronic conductors (OMIECs) have the potential to enable diverse new technologies, ranging from biosensors to flexible energy storage devices and neuromorphic computing platforms. However, study of these materials in their operating

Imaging 3D molecular orientation by orthogonal-pair polarization IR microscopy

February 28, 2022
Author(s)
Shuyu Xu, Chad Snyder, Jeremy Rowlette, Young Lee
Anisotropic molecular alignment occurs ubiquitously and often heterogeneously in three dimensions (3D). However, conventional imaging approaches based on polarization can map only molecular orientation projected onto the 2D polarization plane. Here, an

Separations by Shape: Molecular Shape Recognition in Liquid Chromatography

February 28, 2022
Author(s)
Lane C. Sander
Molecular shape can provide a basis for chromatographic separations that is distinct from other interaction mechanisms often considered in liquid chromatography. Molecular shape recognition, or shape selectivity, is most evident for the separation of

A method to quantify composition, purity, and cross-link density of the polyamide active layer in reverse osmosis composite membranes using 13C cross-polarization magic angle spinning nuclear magnetic resonance spectroscopy

February 12, 2022
Author(s)
Ryan Nieuwendaal, Christopher Stafford, Jeff Wilbur
A method for harvesting and purifying the thin polyamide (PA) active layer from thin-film composite (TFC) reverse osmosis (RO) membranes was developed, enabling quantitative nuclear magnetic resonance (NMR) measurements of the composition and cross-linking

HDX-MS and MD simulations provide evidence for stabilization of the IgG1- FcgRIa (CD64a) immune complex through intermolecular glycoprotein bonds

December 8, 2021
Author(s)
Kyle Anderson, Kerry Scott, Christina Bergonzo, Ioannis Karageorgos, Elyssia Gallagher, Venkata Tayi, Michael Butler, Jeffrey W. Hudgens
Previous reports present different models for the stabilization of the Fc—FcγRI immune complex. Although accord exists on the importance of L235 in IgG1 and some hydrophobic contacts for complex stabilization, discord exists regarding the existence of

Highly conserved s2m element of SARS-CoV-2 dimerizes via a kissing complex and interacts with host miRNA-1307-3p

December 1, 2021
Author(s)
Joshua A. Imperatore, Caylee L. Cunningham, Kendy A. Pellegrene, Robert Brinson, John Marino, Jeffery D. Evanseck, Mihaela R. Mihailescu
The ongoing COVID-19 pandemic highlights the necessity for a more fundamental understanding of the coronavirus life cycle. The causative agent of the disease, SARS-CoV-2, is being studied extensively from a structural standpoint in order to gain insight

Recommendation system to predict missing adsorption properties of nanoporous materials

September 7, 2021
Author(s)
Arni Sturluson, Ali Raza, Grant McConachie, Daniel Siderius, Xaioli Fern, Cory Simon
Nanoporous materials (NPMs) selectively adsorb and concentrate gases into their pores and thus could be used to store, capture, and sense many different gases. Modularly synthesized classes of NPMs, such as covalent organic frameworks (COFs), offer a large

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

Comprehensive Analysis of Tryptic Peptides Arising from Disulfide Linkages in NISTmAb and Their Use for Developing a Mass Spectral Library

June 22, 2021
Author(s)
Qian Dong, Xinjian Yan, Yuxue Liang, Sanford Markey, Sergey L. Sheetlin, Concepcion Remoroza, William E. Wallace, Stephen Stein
This work presents methods for identifying and then creating a mass spectral library for disulfide-linked peptides originating from the NISTmAb. Analysis involved both partially- reduced and non-reduced proteins under neutral and weakly basic conditions

Conformational gating, dynamics and allostery in human monoacylglycerol lipase

October 28, 2020
Author(s)
Sergiy Tyukhtenko, Girija Rajarshi, Ioannis Karageorgos, Nikolai Zvonok, Kiran Vemuri, Jeffrey W. Hudgens, Xiaoyu Ma, Mahmoud L. Nasr, Alexandros Makriyannis, Kyle Anderson, Jason J. Guo, Gerhard Wagner
Inhibition of human Monoacylglycerol Lipase (hMGL) offers a novel approach for treating neurological diseases. The design of inhibitors, targeting active-inactive conformational transitions of the enzyme, can be aided by understanding the interplay between
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