A5104546174- Advanced NMR Techniques and Applications
- NMR spectroscopy and applications
- Solid-state spectroscopy and crystallography
- Advanced MRI Techniques and Applications
- Molecular spectroscopy and chirality
- Electron Spin Resonance Studies
- Atomic and Subatomic Physics Research
- Muon and positron interactions and applications
- Hydrogen Storage and Materials
- Synthesis and Properties of Aromatic Compounds
- Chemical Synthesis and Characterization
- Quantum, superfluid, helium dynamics
- DNA and Nucleic Acid Chemistry
- Coal Properties and Utilization
- Advanced Chemical Physics Studies
- Coal and Coke Industries Research
- Magnetic Properties and Applications
- Prion Diseases and Protein Misfolding
- Various Chemistry Research Topics
- Superconducting Materials and Applications
- Synthesis and characterization of novel inorganic/organometallic compounds
- Axial and Atropisomeric Chirality Synthesis
- Protein Structure and Dynamics
- Molecular Spectroscopy and Structure
- Chemical Thermodynamics and Molecular Structure
Yale University
2003-2024
Raytheon Technologies (Finland)
2018
Bridge12 Technologies (United States)
2018
Resonance Research (United States)
1991-2018
London Bridge Hospital
2018
National High Magnetic Field Laboratory
2018
National Cancer Institute
2003-2004
Johnson Foundation
2004
Columbia University
2004
University of Pennsylvania
2004
A new solid-state NMR method is described for obtaining long-range distance constraints in nanocrystalline samples of 13C-, 15N-, and 2H-enriched protein. The selects only those 13C or 15N nuclei close to 1Hs dipolar recoupling. When used with extensive deuteration, the bath abundant spins made appear dilute. Contacts over 4.5 Å are readily observed human ubiquitin.
A new indirect detection scheme for obtaining (15)N/(1)H shift correlation spectra in crystalline proteins is described. Excellent water suppression achieved without the need pulsed field gradients, and using only a 2-step phase cycle. Careful attention to overall NMR instrument stability was found critical best resolution sensitivity. Magnetic dilution by deuteration of protein combination with high-speed magic angle spinning produces (1)H resonances averaging 0.22 ppm width, some cases...
Solid-state NMR 2D spectroscopy was used to correlate carbon backbone and side-chain chemical shifts for uniformly 13C,15N-enriched microcrystalline ubiquitin. High applied field strengths, 800 MHz protons, moderate proton decoupling fields, 80−100 kHz, high magic angle sample spinning frequencies, 20 were narrow the most of line widths 0.5−0.8 ppm. Homonuclear magnetization transfer effected by matching RF frequency, so-called dipolar-assisted rotational resonance (DARR) (Takegoshi, K.;...
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTCross polarization and magic angle sample spinning NMR spectra of model organic compounds. 1. Highly protonated moleculesLawrence B. Alemany, David M. Grant, Ronald J. Pugmire, Terry D. Alger, Kurt W. ZilmCite this: Am. Chem. Soc. 1983, 105, 8, 2133–2141Publication Date (Print):April 1, 1983Publication History Published online1 May 2002Published inissue 1 April...
In polycrystalline samples, NMR "powder spectra" are broad and much structural information is lost as a result of the orientational disorder. this Letter Fourier-transform in zero magnetic field described. With no preferred direction space, all crystallites contribute equivalently resolved dipolar splittings can be interpreted directly terms internuclear distances. This opens possiblity molecular structure determination without need for single crystals or oriented samples.
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTLow-temperature carbon-13 magnetic resonance in solids. 3. Linear and pseudolinear moleculesAlvin J. Beeler, Anita M. Orendt, David Grant, Peter W. Cutts, Josef Michl, Kurt Zilm, John Downing, Julio C. Facelli, Michael S. Schindler, Werner KutzelniggCite this: Am. Chem. Soc. 1984, 106, 25, 7672–7676Publication Date (Print):December 1, 1984Publication History Published online1 May 2002Published inissue 1 December...
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTNature of the tin-tin double bond as studied by solid-state and solution nuclear magnetic resonanceKurt W. Zilm, Gerry A. Lawless, Ronald M. Merrill, John Millar, Gretchen G. WebbCite this: J. Am. Chem. Soc. 1987, 109, 23, 7236–7238Publication Date (Print):November 1, 1987Publication History Published online1 May 2002Published inissue 1 November 1987https://pubs.acs.org/doi/10.1021/ja00257a080https://doi.org/10.1021/ja00257a080research-articleACS...
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTStructural and spectroscopic characterization of iridium trihydride complexes: evidence for proton-proton exchange couplingD. Michael Heinekey, John M. Millar, Thomas F. Koetzle, Neil G. Payne, Kurt W. ZilmCite this: J. Am. Chem. Soc. 1990, 112, 3, 909–919Publication Date (Print):January 1, 1990Publication History Published online1 May 2002Published inissue 1 January...
Methods are described and demonstrated for detecting the coherent evolution of nuclear spin observables in zero magnetic field with full sensitivity high NMR. The principle motivation is to provide a means obtaining solid state spectra dipole electric quadrupole interactions disordered systems without line broadening associated random orientation respect applied field. Comparison made previous frequency domain methods. A general density operator formalism given experiments where period...
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTChemical Shielding Tensor of a CarbeneAnthony J. Arduengo III, David A. Dixon, Kristin K. Kumashiro, Chengteh Lee, William P. Power, and Kurt W. ZilmCite this: Am. Chem. Soc. 1994, 116, 14, 6361–6367Publication Date (Print):July 1, 1994Publication History Published online1 May 2002Published inissue 1 July 1994https://pubs.acs.org/doi/10.1021/ja00093a041https://doi.org/10.1021/ja00093a041research-articleACS PublicationsRequest reuse...
A new approach to spectral editing of CPMAS 13C spectra is presented that combines depolarization and polarization inversion the rare spins. Four different have been obtained in which intensities nonprotonated 13C, 13CH, 13CH2, 13CH3 groups are affected a predictable fashion. proper combination these yields 13CH2-only subspectrum, 13CH-only spectrum with only. If quaternary carbons can be distinguished by their chemical shifts, intensity-corrected 13CH3-only quaternary-13C-only subspectra...
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTCross polarization and magic angle sample spinning NMR spectra of model organic compounds. 2. Molecules low or remote protonationLawrence B. Alemany, David M. Grant, Ronald J. Pugmire, Terry D. Alger, Kurt W. ZilmCite this: Am. Chem. Soc. 1983, 105, 8, 2142–2147Publication Date (Print):April 1, 1983Publication History Published online1 May 2002Published inissue 1 April...
Cross-polarization magic-angle-spinning 13C NMR has become an important analytical method for the study of organic solids. At high field strengths, magic-angle-sample-spinning (MASS) rates required to suppress spinning sidebands can substantially dipolar couplings among abundant protons. This results in dramatic changes cross-polarization (CP) dynamics. For samples with both weak homonuclear and heteronuclear couplings, matching condition is only 1 ∼ 2 kHz wide at 10 MASS rates. The maximum...
Raman spectra of C x F 1-δ (HF) δ ( /δ ≈ 12) show bands at 1600, 1355 and 839 cm -1 , which are attributed to graphite-like vibrational modes the carbon atom sheets. The infrared show, in addition bands, absorptions 1270 1100 C-F stretching. Variable contact-time cross-polarized magic-angle spinning 13 nuclear magnetic resonance (c.p.m.a.s. n.m.r.) have been obtained for = 2.05 3.70. In both spectra, two peaks + 135/10 6 88/10 chemical shift from TMS) seen, attributed, respectively,...
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTLow-temperature carbon-13 magnetic resonance of solids. 1. Alkenes and cycloalkenesKurt W. Zilm, Robert T. Conlin, David M. Grant, Josef MichlCite this: J. Am. Chem. Soc. 1980, 102, 22, 6672–6676Publication Date (Print):October 15, 1980Publication History Published online1 May 2002Published inissue 15 October 1980https://pubs.acs.org/doi/10.1021/ja00542a003https://doi.org/10.1021/ja00542a003research-articleACS PublicationsRequest reuse...
A highly sensitive new 1H-detected 3D solid-state NMR method is described for characterizing 1H-1H spin exchange in nanocrystalline samples of 15N- and 2H-enriched protein. Long-range contacts are observed human ubiquitin. The also used to show that numerous NOEs between backbone amides crystal water protons can be observed.
Standard design and construction practices used in building nuclear magnetic resonance (NMR) probes for the study of solid state samples become difficult if not entirely impractical to implement as 1H frequency approaches self commercial capacitors. We describe an approach that utilizes short variable transmission line segments tunable reactances. Such effectively controls stray reactances provides a higher Q alternative ceramic chip The particular probe described is built accommodate 2.5 mm...