NMR and EPR

Molecular systems important to biology, environmental remediation and sustainability are studied using a suite of nuclear magnetic resonance (NMR) spectrometers with frequencies ranging from 300 to 850 MHz. A pair of electron paramagnetic resonance (EPR) spectrometers complement the capability. See a complete list of NMR and EPR instruments.

Description

Interfacial and in situ biology—Innovative NMR instrumentation and techniques for probing properties of macromolecular cellular assemblies and in situ and ex situ metabolic processes, as well as for exploring biological membrane proteins in the solid state. Unique EPR and variable-temperature NMR approaches to explore structure and properties of redox metal centers cell biology.

Environmental chemistry— EMSL offers a unique NMR system for radiological studies. Users can perform magic angle spinning of highly radioactive samples with a novel hermetically sealed 3.2mm NMR probe. These tools allow users to apply NMR techniques to critical areas of radiological research, including the study of radioactive waste processing and storage.

Interfacial and in situ chemistry—Leading-edge solid-state NMR probe technology to analyze and quantify properties of advanced energy materials, fuel cells and real-time catalytic processes. High power pulsed field gradient diffusion capabilities for liquid and solid samples.

EMSL offers unique and custom NMR and EPR tools, including probes for specialized studies.

  • NMR spectrometers, ranging from 300 MHz to 850 MHz for high-field liquid-state, solid-state and micro-imaging techniques
  • W- and X-band pulsed EPR spectremeter for probing metal centers in biological and materials systems
  • NMR metabolomics capabilities
  • Extreme-temperature probes, both high and low temperatures
  • Virtual NMR tools for remote access to spectrometer systems.

Instruments

Highlighted Research Applications Characterization of natural and soil organic matter (NOM and SOM) CO2 sequestration investigations via high-...
Custodian(s): Sarah D Burton, David Hoyt
Research Applications Characterization of quadrupolar nuclei for inorganic and biological materials and natural sediments Cryogenic NMR capabilities...
Highlighted Research Applications EMSL's Bruker 500-MHz WB spectrometer is uniquely tailored for in vivo studies: Microbial biofilms relevant to...
Type of Instrument:
Nuclear Magnetic Resonance Spectrometer (NMR)
Research Applications Dynamics studies via 2H NMR Characterization of quadrupolar nuclei for materials and biological samples Characterization of...
Highlighted Research Applications Structural biology Protein structure and dynamics Nuclei acid structure and dynamics. Metabolomics Eukaryotic and...
Custodian(s): Nancy Isern, David Hoyt

Publications

The interactions between proteins and surfaces are critical to a number of important processes including biomineralization, the biocompatibility of...
Porous graphene, which is a novel type of defective graphene, shows excellent potential as a support material for metal clusters. In this work, the...
SiO2 supported Pt−Ni bimetallic catalysts with different nickel loadings were prepared and their structural changes after redox treatments...
Phototrophic microbial mats are among the most diverse ecosystems in nature. These systems undergo daily cycles in redox potential caused by...
Climate warming is projected to increase the frequency and severity of wildfires in boreal forests, and increased wildfire activity may alter the...

Science Highlights

Posted: April 22, 2016
Scientists at Pacific Northwest National Laboratory, or PNNL, EMSL and the University of Washington collaborated to study rechargeable zinc-...
Posted: November 20, 2015
The Science Phototrophic microbial mats are among the most diverse ecosystems in nature. These self-sustaining natural ecosystems are composed of...
Posted: October 20, 2015
The Science Permafrost soils near the North Pole contain roughly twice the amount of carbon stored in the atmosphere today; but for now, most of...
Posted: September 23, 2015
The Science Natural organic matter (NOM) is a mixture of organic molecules derived primarily from the natural decay of plant matter. Understanding...
Posted: August 14, 2015
Active sites are where catalytic reactions occur; however, slow or failed sties result in higher costs and lower production rates.  To improve...

Instruments

This is a proposal to use advanced solid-state NMR methods to elucidate the architecture and arrangement of cell walls of plants, grass species in...
This proposal aims to provide molecular insight into elementary reaction steps and their kinetics in condensed phases at an atomic and molecular...
A critical step in the lignocellulosic biofuels pipeline is the extraction of fermentable sugars from plant biomass. Extracellular fungal enzymes are...
The Joint Center for Energy Storage Research (JCESR) is performing transformational research to overcome critical scientific and technical barriers...
Our research program strives to provide new insight into the fundamental molecular-scale dynamics, energetics, and reactivity of geochemically...

Molecular systems important to biology, environmental remediation and sustainability are studied using a suite of nuclear magnetic resonance (NMR) spectrometers with frequencies ranging from 300 to 850 MHz. A pair of electron paramagnetic resonance (EPR) spectrometers complement the capability. See a complete list of NMR and EPR instruments.

Effect of Graphene with Nanopores on Metal Clusters.

Abstract: 

Porous graphene, which is a novel type of defective graphene, shows excellent potential as a support material for metal clusters. In this work, the stability and electronic structures of metal clusters (Pd, Ir, Rh) supported on pristine graphene and graphene with different sizes of nanopore were investigated by first-principle density functional theory (DFT) calculations. Thereafter, CO adsorption and oxidation reaction on the Pd-graphene system were chosen to evaluate its catalytic performance. Graphene with nanopore can strongly stabilize the metal clusters and cause a substantial downshift of the d-band center of the metal clusters, thus decreasing CO adsorption. All binding energies, d-band centers, and adsorption energies show a linear change with the size of the nanopore: a bigger size of nanopore corresponds to a stronger metal clusters bond to the graphene, lower downshift of the d-band center, and weaker CO adsorption. By using a suitable size nanopore, supported Pd clusters on the graphene will have similar CO and O2 adsorption ability, thus leading to superior CO tolerance. The DFT calculated reaction energy barriers show that graphene with nanopore is a superior catalyst for CO oxidation reaction. These properties can play an important role in instructing graphene-supported metal catalyst preparation to prevent the diffusion or agglomeration of metal clusters and enhance catalytic performance. This work was supported by National Basic Research Program of China (973Program) (2013CB733501), the National Natural Science Foundation of China (NSFC-21176221, 21136001, 21101137, 21306169, and 91334013). D. Mei acknowledges the support from the US Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for DOE by Battelle. Computing time was granted by the grand challenge of computational catalysis of the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL) and by the National Energy Research Scientific Computing Center (NERSC).

Citation: 
Zhou H, X Chen, L Wang, X Zhong, G Zhuang, X Li, D Mei, and J Wang.2015."Effect of Graphene with Nanopores on Metal Clusters."Physical Chemistry Chemical Physics. PCCP 17(37):24420-24426. doi:10.1039/c5cp04368a
Authors: 
H Zhou
X Chen
L Wang
X Zhong
G Zhuang
X Li
D Mei
J Wang
Capabilities: 
Volume: 
17
Issue: 
37
Pages: 
24420-24426
Publication year: 
2015

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Dr. Washton is a key player in coupling solid-state NMR  (ssNMR) with computational chemistry for predictions of reaction site structure and kinetics, and to provide users with an integrated system for making predictions of NMR parameters based...