Works Published in 2014

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Displaying works 41 - 60 of 253 in total

Sorted by most recent date added to the index first, which may not be the same as publication date order.

2014 chapter

Precision Sequence Control in Bioinspired Peptoid Polymers

In ACS Symposium Series (pp. 35–53).

Sources: Crossref, ORCID
Added: June 24, 2021

2014 conference paper

Conformational Dependence of Electronic- and Exchange Coupling

Poster presented at the Donor-Acceptor Gordon Conference.

By: D. Stasiw & S. Shultz

Event: Donor-Acceptor Gordon Conference on August 7, 2014

Source: NC State University Libraries
Added: May 3, 2021

2014 conference paper

Radical-Mediated Excited State Processes of Donor-Acceptor Chromophores

Poster presented at the Donor-Acceptor Gordon Conference.

By: C. Tichnell & D. Shultz

Event: Donor-Acceptor Gordon Conference on August 7, 2014

Source: NC State University Libraries
Added: May 3, 2021

2014 conference paper

Correlations of Electron Spin Exchange- and Electronic Coupling in Metal Complexes of Donor-Bridge-Acceptor Biradical Ligands

Presented at the Telluride Science Research Center Workshop: Electronic and Magnetic Properties of Chiral Structures and their Assemblies.

By: D. Shultz

Event: Telluride Science Research Center Workshop: Electronic and Magnetic Properties of Chiral Structures and their Assemblies on June 30 - July 4, 2014

Source: NC State University Libraries
Added: May 3, 2021

2014 chapter

Atmospheric Pressure Mass Spectrometry Imaging

In R. A. Meyers (Ed.), Encyclopedia of Analytical Chemistry: Applications, Theory and Instrumentation (pp. 1–44).

By: J. Barry n, D. Muddiman n & G. Robichaud n

Ed(s): R. Meyers

Sources: NC State University Libraries, ORCID
Added: March 8, 2021

2014 journal article

Towards Controlling the Valance Tautomer Interconversion Character by Solvation

Acta Crystallographica Section A Foundations and Advances, 70(a1), C1252–C1252.

By: M. Ribeiro, D. Stasiw, D. Shultz*, P. Pattison, P. Raithby & C. Pinheiro

author keywords: Valence Tautomerism; Cobalt; Single crystal X-ray diffraction
Sources: Crossref, ORCID
Added: February 20, 2021

2014 report

PlasticSim: Simulator For The Plastic Phase Of Carbon Tetrabromide And Calculator For 2-D Reciprocal Space Slices

[Software].

By: E. Dill, J. Folmer & J. Martin*

Sources: Crossref, ORCID
Added: January 28, 2021

2014 report

Ramdog: A Graphical User Interface Program To Interactively Analyze 2D Diffraction Images

[Software].

By: E. Dill, J. Folmer & J. Martin*

Sources: Crossref, ORCID
Added: January 28, 2021

2014 article

Crystalsim: Gui For Geometrical Simulations Of Crystal Growth

Dill, E., & Martin, J. D. (2014, October 16). (Vol. 10). Vol. 10.

By: E. Dill & J. Martin

Contributors: J. Martin

Sources: Crossref, ORCID
Added: January 28, 2021

2014 journal article

LIGHT-SABRE enables efficient in-magnet catalytic hyperpolarization

Journal of Magnetic Resonance, 248, 23–26.

By: T. Theis*, M. Truong*, A. Coffey*, E. Chekmenev* & W. Warren*

Contributors: T. Theis*, M. Truong*, A. Coffey*, E. Chekmenev* & W. Warren*

author keywords: NMR and MRI; Parahydrogen; Hyperpolarization; NMR spectroscopy; Magnetic properties
MeSH headings : Catalysis; Hydrogen / chemistry; Hydrogen / radiation effects; Iridium / chemistry; Iridium / radiation effects; Magnetic Fields; Pyridines / chemistry; Pyridines / radiation effects; Radiation Dosage; Singlet Oxygen / chemistry; Singlet Oxygen / radiation effects; Spin Labels
TL;DR: Low-Irradiation Generation of High Tesla-SABRE (LIGHT-SA BRE) which works with simple pulse sequences and low power deposition and should be usable at any magnetic field and for hyperpolarization of many different nuclei. (via Semantic Scholar)
Source: ORCID
Added: January 12, 2021

2014 journal article

Analysis of parahydrogen polarized spin system in low magnetic fields

Physical Chemistry Chemical Physics, 16(29), 15411–15421.

Contributors: P. Türschmann*, J. Colell*, T. Theis*, B. Blümich* & S. Appelt*

TL;DR: Examination of the experimental data facilitates the extraction of all relevant NMR parameters using single-scan, high-resolution (1)H and (13)C NMR spectroscopy at low fields at a fraction of the cost associated with cryogenically cooled high-field N MR spectrometers. (via Semantic Scholar)
Sources: ORCID, Crossref
Added: January 12, 2021

2014 journal article

Long-lived polarization protected by symmetry

The Journal of Chemical Physics, 141(13), 134307.

By: Y. Feng*, T. Theis*, T. Wu*, K. Claytor* & W. Warren*

Contributors: Y. Feng*, T. Theis*, T. Wu*, K. Claytor* & W. Warren*

MeSH headings : Alkynes / chemistry; Computer Simulation; Magnetic Resonance Spectroscopy / methods; Maleic Anhydrides / chemistry; Models, Molecular; Pyridazines / chemistry
TL;DR: This paper elucidates molecular motifs which permit Long-Lived Polarization Protected by Symmetry (LOLIPOPS), and describes the symmetry of the accessed states, the pulse sequences used to access these states, and quantifies the fraction of polarization that can be stored as LOLIPOPS. (via Semantic Scholar)
Sources: ORCID, Crossref
Added: January 12, 2021

2014 journal article

Measuring long-lived 13C2 state lifetimes at natural abundance

Journal of Magnetic Resonance, 239, 81–86.

By: K. Claytor*, T. Theis*, Y. Feng* & W. Warren*

Contributors: K. Claytor*, T. Theis*, Y. Feng* & W. Warren*

author keywords: Hyperpolarization; Singlet state; Long lived state
MeSH headings : Algorithms; Alkynes; Carbon Isotopes; Electromagnetic Fields; Half-Life; Isotope Labeling; Nuclear Magnetic Resonance, Biomolecular / instrumentation; Nuclear Magnetic Resonance, Biomolecular / methods; Reproducibility of Results; Solvents
TL;DR: It is shown that it is possible to determine (13)C singlet state lifetimes by detecting the naturally abundant doubly-labeled species, which allows for rapid and low cost screening of potential molecular biomarkers bearing long-lived states. (via Semantic Scholar)
Source: ORCID
Added: January 12, 2021

2014 journal article

LIGHT-SABRE enables efficient in-magnet catalytic hyperpolarization

Journal of Magnetic Resonance. http://www.sciencedirect.com/science/article/pii/S1090780714002420

Thomas Theis

Source: ORCID
Added: January 12, 2021

2014 journal article

Composite and shaped pulses for efficient and robust pumping of disconnected eigenstates in magnetic resonance

The Journal of Chemical Physics, 140(1), 014201.

By: T. Theis*, Y. Feng*, T. Wu* & W. Warren*

Contributors: T. Theis*, Y. Feng*, T. Wu* & W. Warren*

TL;DR: Traditional composite and adiabatic pulses fail completely in this problem because the interactions driving the transitions are fundamentally different, but the new shapes introduced can move population between accessible and disconnected eigenstates over a wide range of radio-frequency amplitudes and offsets while depositing insignificant amounts of power. (via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Sources: ORCID, Crossref
Added: January 12, 2021

2014 journal article

Accessing Long-Lived Disconnected Spin-1/2 Eigenstates through Spins > 1/2

Accessing Long-Lived Disconnected Spin-1/2 Eigenstates through Spins > 1/2. Journal of the American Chemical Society, 136(43), 15118–15121.

By: K. Claytor*, T. Theis*, Y. Feng*, J. Yu*, D. Gooden* & W. Warren*

Contributors: K. Claytor*, T. Theis*, Y. Feng*, J. Yu*, D. Gooden* & W. Warren*

MeSH headings : Acetylene / chemistry; Deuterium / chemistry; Magnetic Phenomena; Magnetic Resonance Spectroscopy
TL;DR: Here the classes of molecules known to have accessible long-lived states are extended to include those with chemically equivalent spin-1/2 nuclei accessed by coupling to nuclei with spin > 1/2, in this case deuterium, and experiments show that simple deuteration of molecules with (13)C pairs at their natural abundance is sufficient for successful lifetime measurements. (via Semantic Scholar)
Sources: ORCID, Crossref
Added: January 12, 2021

2014 journal article

Long-Lived Heteronuclear Spin-Singlet States in Liquids at a Zero Magnetic field

Phys. Rev. Lett., 112(7).

TL;DR: It is demonstrated that heteronuclear singlet states formed between a 1H and a 13C nucleus can exhibit longer lifetimes than the respective triplet states even in the presence of additional spins that couple to the spin pair of interest. (via Semantic Scholar)
Source: ORCID
Added: January 12, 2021

2014 journal article

Direct nitration and azidation of aliphatic carbons by an iron-dependent halogenase

Nature Chemical Biology, 10(3), 209–215.

MeSH headings : Azides / chemistry; Chromatography, Liquid; Coordination Complexes / chemistry; Enzymes / metabolism; Iron / chemistry; Ketoglutaric Acids / chemistry; Mass Spectrometry; Mutation; Nitrates / chemistry; Pseudomonas syringae / enzymology; Pseudomonas syringae / genetics
TL;DR: It is shown that the wild-type halogenase SyrB2 can indeed direct aliphatic nitration and azidation reactions by the same chemical logic and suggests unrecognized or untapped versatility in ferryl-mediated enzymatic C–H-bond activation. (via Semantic Scholar)
Sources: ORCID, Crossref
Added: January 11, 2021

2014 journal article

Mechanistic Consequences of Chiral Radical Clock Probes: Analysis of the Mononuclear Non-Heme Iron Enzyme HppE with 2-Hydroxy-3-methylenecyclopropyl Radical Clock Substrates

Journal of the American Chemical Society, 136(8), 2944–2947.

By: H. Huang*, W. Chang*, G. Lin*, A. Romo*, P. Pai*, W. Russell*, D. Russell*, H. Liu*

Contributors: H. Huang*, W. Chang*, G. Lin*, A. Romo*, P. Pai*, W. Russell*, D. Russell*, H. Liu*

MeSH headings : Fosfomycin / biosynthesis; Organophosphonates / chemistry; Oxidoreductases / chemistry; Stereoisomerism
TL;DR: The results strongly suggest that an internal electron transfer to the iron center subsequent to C–H homolysis competes with ring-opening in the processing of the C2 radical intermediate of HppE-catalyzed reaction. (via Semantic Scholar)
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation (OpenAlex)
Sources: ORCID, Crossref
Added: January 11, 2021

2014 journal article

Mechanism of the C5 stereoinversion reaction in the biosynthesis of carbapenem antibiotics

Science, 343(6175), 1140–1144.

Contributors: W. Chang*, Y. Guo*, C. Wang*, S. Butch*, A. Rosenzweig*, A. Boal*, C. Krebs*, J. Bollinger Jr.

MeSH headings : Carbapenems / biosynthesis; Carbapenems / chemistry; Catalysis; Crystallography, X-Ray; Enzymes / chemistry; Enzymes / genetics; Escherichia coli; Hydrogen / chemistry; Oxidation-Reduction; Pectobacterium carotovorum / enzymology; Stereoisomerism; Tyrosine / chemistry
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation (OpenAlex)
Source: ORCID
Added: January 11, 2021

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