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Abbreviation : CS
Long Form : chemical shift
No. Year Title Co-occurring Abbreviation
2019 Calibration of methylene-referenced lipid-dissolved xenon frequency for absolute MR temperature measurements. AT
2019 Glutton: a tool for generating structural ensembles of partly disordered proteins from chemical shifts. ---
2019 Macromolecular Crowding Tunes Protein Stability by Manipulating Solvent Accessibility. BsCspB, MC
2019 Molecular Dynamics Simulations Combined with Nuclear Magnetic Resonance and/or Small-Angle X-ray Scattering Data for Characterizing Intrinsically Disordered Protein Conformational Ensembles. 3Jc, IDPs, MD, NMR, RDC, SAXS
2019 Proton-detected 3D 1H anisotropic/14N/1H isotropic chemical shifts correlation NMR under fast magic angle spinning on solid samples withoutisotopic enrichment. CSA, MAS
2018 13Check_RNA: a tool to evaluate 13C chemical shift assignments of RNA. ---
2018 NMR interaction tensors of 51V and 207Pb in vanadinite, Pb5(VO4)3Cl, determined from DFT calculations and single-crystal NMR measurements, using only one general rotation axis. DFT
2018 Simple and robust referencing system enables identification of dissolved-phase xenon spectral frequencies. ---
2018 The role of dynamic post-contrast T1-w MRI sequence to characterize lipid-rich and lipid-poor adrenal adenomas in comparison to non-adenoma lesions: preliminary results. SI, WO
10  2017 CryoEM Structure Refinement by Integrating NMR Chemical Shifts with Molecular Dynamics Simulations. CA
11  2016 Experimental and First-Principles NMR Analysis of Pt(II) Complexes With O,O'-Dialkyldithiophosphate Ligands. ---
12  2016 Intratumoral Macroscopic Fat and Hemorrhage Combination Useful in the Differentiation of Benign and Malignant Solid Renal Masses. MRI
13  2016 Local Electronic Structure in gamma-LiAlO2 Studied by Single-Crystal 27Al NMR and DFT Calculations. EFG
14  2016 MRI evaluation of small (<4cm) solid renal masses: multivariate modeling improves diagnostic accuracy for angiomyolipoma without visible fat compared to univariate analysis. AMLwvf, CC, CE, ch, CI 0.4.3-0.85, CI 0.84-0.99, SIR
15  2015 (11)B Solid-State NMR Interaction Tensors of Linear Two-Coordinate Boron: The Dimesitylborinium Cation. EFG
16  2015 Correlating Microstructural Lithium Metal Growth with Electrolyte Salt Depletion in Lithium Batteries Using ⁷Li MRI. MRI
17  2015 Intracellular lipid in papillary renal cell carcinoma (pRCC): T2 weighted (T2W) MRI and pathologic correlation. i-lipid, PRCC, T2W
18  2015 Multinuclear Solid-State NMR and DFT Studies on Phosphanido-Bridged Diplatinum Complexes. ---
19  2015 Proton chemical shift tensors determined by 3D ultrafast MAS double-quantum NMR spectroscopy. CSA, DQ, MAS, SQ
20  2015 Solid-State (63)Cu, (65)Cu, and (31)P NMR Spectroscopy of Photoluminescent Copper(I) Triazole Phosphine Complexes. CQ, EFG
21  2014 An investigation of chlorine ligands in transition-metal complexes via ⁵Cl solid-state NMR and density functional theory calculations. DFT, EFG, LMO, SSNMR, TM, VOCS
22  2014 Comparison of double-quantum NMR normalization schemes to measure homonuclear dipole-dipole interactions. DQ
23  2014 Pitfalls of adrenal imaging with chemical shift MRI. ---
24  2014 Solid-state NMR/NQR and first-principles study of two niobium halide cluster compounds. EFG
25  2013 129Xe NMR chemical shift in Xe@C60 calculated at experimental conditions: essential role of the relativity, dynamics, and explicit solvent. BPPT, NMR
26  2013 H-MAS-NMR chemical shifts in hydrogen-bonded complexes of chlorophenols (pentachlorophenol, 2,4,6-trichlorophenol, 2,6-dichlorophenol, 3,5-dichlorophenol, and p-chlorophenol) and amine, and H/D isotope effects on H-MAS-NMR spectra. H-bond, MAS, N-Base, PCP, pCP, TCP
27  2013 Multidimensional magic angle spinning NMR spectroscopy for site-resolved measurement of proton chemical shift anisotropy in biological solids. CSA
28  2013 Principal component analysis of chemical shift perturbation data of a multiple-ligand-binding system for elucidation of respective binding mechanism. ANS, beta-LG, CSPs, PCA
29  2013 Solid-state 17O NMR of pharmaceutical compounds: salicylic acid and aspirin. MAS, QC
30  2012 A combined solid-state NMR and X-ray crystallography study of the bromide ion environments in triphenylphosphonium bromides. EFG, GIPAW
31  2012 An improved algorithm for MFR fragment assembly. MFR, NOEs, RDC
32  2012 Earth field NMR with chemical shift spectral resolution: theory and proof of concept. EF
33  2012 Recoupling of chemical shift anisotropy by R-symmetry sequences in magic angle spinning NMR spectroscopy. CSA, MAS, RNCSA
34  2012 The prediction of protein structural class using averaged chemical shifts. ---
35  2011 Carbon-13 NMR chemical shifts in columnar liquid crystals. DFT, hd, hd, HHTT, HMTT, MAS
36  2011 Quantitative use of chemical shifts for the modeling of protein complexes. CSP
37  2010 A solid-state (11)b NMR and computational study of boron electric field gradient and chemical shift tensors in boronic acids and boronic esters. CCBO, CSA, EFG
38  2010 A solid-state (17)O NMR study of L-tyrosine in different ionization states: implications for probing tyrosine side chains in proteins. l-Tyr, QC
39  2010 Aggregation of perfluoroctanoate salts studied by 19F NMR and DFT calculations: counterion complexation, poly(ethylene glycol) addition, and conformational effects. CAC, CMC, PEG
40  2010 GIAO DFT 13C/15N chemical shifts in regioisomeric structure determination of fused pyrazoles. ---
41  2010 Improved Resolution in Dipolar NMR Spectra Using Constant Time Evolution PISEMA Experiment. DC
42  2010 Solid-state (127)I NMR and GIPAW DFT study of metal iodides and their hydrates: structure, symmetry, and higher-order quadrupole-induced effects. SSNMR
43  2010 Solid-state (17)O NMR and computational studies of C-nitrosoarene compounds. DFT, MOs, QC
44  2010 Solid-state 91Zr NMR spectroscopy studies of zirconocene olefin polymerization catalyst precursors. EFG, MAS, SSNMR
45  2009 Application of multinuclear magnetic resonance and gauge-including projector-augmented-wave calculations to the study of solid group 13 chlorides. EFG, GIPAW
46  2009 Application of solid-state 209Bi NMR to the structural characterization of bismuth-containing materials. EFG, SSNMR
47  2009 Density functional theory calculations of 95Mo NMR parameters in solid-state compounds. EFG, GIPAW, PAW
48  2009 Solid-state (17)O NMR as a sensitive probe of keto and gem-diol forms of alpha-keto acid derivatives. QC
49  2008 Application of solid-state 35Cl NMR to the structural characterization of hydrochloride pharmaceuticals and their polymorphs. EFG, LA
50  2008 Assessment of mitochondrial impairment in traumatic brain injury using high-resolution proton magnetic resonance spectroscopy. Cho, Cr, MR, NAA, SV, TBIs
51  2008 Calcium-43 chemical shift tensors as probes of calcium binding environments. Insight into the structure of the vaterite CaCO3 polymorph by 43Ca solid-state NMR spectroscopy. EFG, GIPAW
52  2008 Experimental and computational characterization of the 17O quadrupole coupling and magnetic shielding tensors for p-nitrobenzaldehyde and formaldehyde. CCSD, DFT, HF, MAS, QC
53  2008 Investigation of silver-containing layered materials and their interactions with primary amines using solid-state 109Ag and 15N NMR spectroscopy and first principles calculations. CP/MAS
54  2008 Noise considerations of three-point water-fat separation imaging methods. NSA, SNR
55  2008 Probing local structure in zeolite frameworks: ultrahigh-field NMR measurements and accurate first-principles calculations of zeolite 29Si magnetic shielding tensors. CSA, MAS
56  2008 Solid-state phosphorus-31 NMR spectroscopy of a multiple-spin system: an investigation of a rhodium-triphosphine complex. ---
57  2007 Alkaline earth chloride hydrates: chlorine quadrupolar and chemical shift tensors by solid-state NMR spectroscopy and plane wave pseudopotential calculations. EFG
58  2007 RF refocused echoes of J-coupled spin systems: effects on RARE-based spectroscopic imaging. PE, RARE, RF, U-FLARE
59  2006 Acetylenic carbon-13 chemical shift tensors for diphenylacetylene and (eta2-Diphenylacetylene)Pt(PPh3)2: a solid-state NMR and theoretical study. PPh3
60  2006 Characterization of adrenal adenomas and metastases: correlation between unenhanced computed tomography and chemical shift magnetic resonance imaging. CS-r, CT, IP, MR, OP, SI, SII
61  2006 Chlorine-35/37 NMR spectroscopy of solid amino acid hydrochlorides: refinement of hydrogen-bonded proton positions using experiment and theory. CQ, EFG
62  2006 Diagnostic accuracy of chemical-shift MR imaging to differentiate between adrenal adenomas and non adenoma adrenal lesions. CT, FFE, Gd, MR, NPV, PPV, TE, TR, TSE-SSh, US
63  2006 Ion-binding study by 17O solid-state NMR spectroscopy in the model peptide Gly-Gly-Gly at 19.6 T. DFT, MAS, QC
64  2006 Molecular structure and dynamics at the interfaces within bulk heterojunction materials for solar cells. CFs, NMR
65  2006 Neutral high-potential nickel triad bisdithiolenes: structure and solid-state NMR properties of Pt[S2C2(CF3)2]2. ---
66  2006 NMR chemical shift powder pattern recoupling at high spinning speed and theoretical tensor evaluation applied to silk fibroin. MD
67  2006 Prediction of carbon-13 NMR chemical shift of alkanes with rooted path vector. 13C NMR, CV, LOO, MLR, QSSR
68  2006 Solid-state 139La and 15N NMR spectroscopy of lanthanum-containing metallocenes. CQ, EFG
69  2006 Solid-state 23Na NMR study of sodium lariat ether receptors exhibiting cation-pi interactions. MAS, SSNMR
70  2006 Solid-state 35/37Cl NMR spectroscopy of hydrochloride salts of amino acids implicated in chloride ion transport channel selectivity: opportunities at 900 MHz. ---
71  2006 Solid-state nitrogen-15 NMR and quantum chemical study of N,N-dimethylaniline derivatives. iso
72  2006 Solid-state NMR spectroscopy of the quadrupolar halogens: chlorine-35/37, bromine-79/81, and iodine-127. EFG, SSNMR
73  2005 Combined first-principles computational and experimental multinuclear solid-state NMR investigation of amino acids. EFG
74  2005 Differential effects of uncharged aminoamide local anesthetics on phospholipid bilayers, as monitored by 1H-NMR measurements. EPC, LA
75  2005 Measurement of ribose carbon chemical shift tensors for A-form RNA by liquid crystal NMR spectroscopy. RDC
76  2004 Silver-109 NMR spectroscopy of inorganic solids. CP, MAS
77  2003 A solid-state nitrogen-15 NMR and ab initio study of nitrobenzenes. DFT, MO
78  2003 An 17O NMR and quantum chemical study of monoclinic and orthorhombic polymorphs of triphenylphosphine oxide. EFG, MAS
79  2003 Determination of the 17O NMR tensors in potassium hydrogen dibenzoate: a salt containing a short O...H...O hydrogen bond. EFG
80  2003 Fast U-FLARE-based correlation-peak imaging with complete effective homonuclear decoupling. Ins, Tau, U-FLARE
81  2002 A 13C solid-state NMR investigation of the alkynyl carbon chemical shift tensors for 2-butyne-1,4-diol. MAS
82  2002 Insight into the structure of silver cyanide from (13)C and (15)N solid-state NMR spectroscopy. MAS, ZORA-DFT
83  2002 Phosphorus chemical shift tensors of phosphido ligands in ruthenium carbonyl compounds: (31)P NMR spectroscopy of single-crystal and powder samples and ab initio calculations. ---
84  2001 2D relayed anisotropy correlation NMR: characterization of the 13C' chemical shift tensor orientation in the peptide plane of the dipeptide AibAib. ---
85  2001 Orientational information from TEDOR spectral sidebands. ---
86  2001 Precision measurement of the quadrupole coupling and chemical shift tensors of the deuterons in alpha-calcium formate. DCOO, QC
87  2001 Quantitative structure-property relationships in boron nitrides: the 15N- and 11B chemical shifts. NMR
88  2000 15N chemical shift tensor magnitude and orientation in the molecular frame of uracil determined via MAS NMR. ---
89  2000 A fast variant of (1)H spectroscopic U-FLARE imaging using adjusted chemical shift phase encoding. APE, FT, SI
90  2000 Redor in IS1S2 systems. ---
91  1998 Distribution of principal values of the 31P NMR chemical shift tensor in phosphate glasses. MAS, NMR
92  1998 Non-invasive temperature mapping using MRI: comparison of two methods based on chemical shift and T1-relaxation. ---
93  1998 [Magnetic resonance in the study of suprarenal neoplasms. Qualitative and quantitative analysis of signal intensity]. Gd-DTPA, MRI, SE, SI
94  1997 51V magic-angle-spinning NMR and electric field gradient calculations in V2O5 and gamma-LiV2O5 crystals. MAS
95  1996 Deuterium Quadrupole-Coupling and Chemical-Shielding Tensors in the Model Dipeptide Glycylglycine Monohydrochloride Monohydrate EFG