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1. Full Text Cover Picture: Exposing the Origins of Irreproducibility in Fluorine NMR Spectroscopy (Angew. Chem. Int. Ed. 30/2018)
by Rosenau, Carl Philipp and Jelier, Benson J and Gossert, Alvar D and Togni, Antonio
Angewandte Chemie International Edition, ISSN 1433-7851, 07/2018, Volume 57, Issue 30, pp. 9187 - 9187
One possible barrier to scientific reproducibility is the lack of clear protocols. This is the case for the 19 F NMR referencing of fluorine‐containing... 
referencing | chemical shift | NMR spectroscopy | reproducibility | fluorine
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2. Full Text Complete 1H and 13C NMR chemical shift assignments of mono- to tetrasaccharides as basis for NMR chemical shift predictions of oligosaccharides using the computer program CASPER
by Rönnols, Jerk and Pendrill, Robert and Fontana, Carolina and Hamark, Christoffer and d’Ortoli, Thibault Angles and Engström, Olof and Ståhle, Jonas and Zaccheus, Mona V and Säwén, Elin and Hahn, Liljan E and Iqbal, Shahzad and Widmalm, Göran
Carbohydrate Research, ISSN 0008-6215, 10/2013, Volume 380, pp. 156 - 166
H and C NMR chemical shift data are used by the computer program CASPER to predict chemical shifts of oligo- and polysaccharides. Three types of data are used,... 
Chemical shift prediction | Automation | Oligosaccharide | Glycan
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3. Full Text Hepatic fat quantification: A prospective comparison of magnetic resonance spectroscopy and analysis methods for chemical-shift gradient echo magnetic resonance imaging with histologic assessment as the reference standarda
by Kang, Bo-Kyeong and Yu, Eun Sil and Lee, Seung Soo and Lee, Youngjoo and Kim, Namkug and Sirlin, Claude B and Cho, Eun Yoon and Yeom, Suk Keu and Byun, Jae Ho and Park, Seong Ho and Lee, Moon-Gyu
Investigative Radiology, ISSN 0020-9996, 06/2012, Volume 47, Issue 6, pp. 368 - 375
MR imaging | fatty liver | chemical shift | MR spectroscopy
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4. Full Text On identifying low energy conformational excited states with differential ruggedness in human γS-crystallin promoting severe infantile cataracts
by Bari, Khandekar Jishan and Sharma, Shrikant and Chary, Kandala V.R
Biochemical and Biophysical Research Communications, ISSN 0006-291X, 06/2019, Volume 514, Issue 3, pp. 946 - 952
Transient excited states in proteins can be accurately probed from temperature dependence of amide proton ( H ) chemical shifts displaying significant... 
Structural heterogeneity | Human crystallin | Chemical shift curvatures | Congenital cataract
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5. Full Text In vivo 13carbon metabolic imaging at 3T with hyperpolarized 13C‐1‐pyruvate
by Kohler, S.J and Yen, Y and Wolber, J and Chen, A.P and Albers, M.J and Bok, R and Zhang, V and Tropp, J and Nelson, S and Vigneron, D.B and Kurhanewicz, J and Hurd, R.E
Magnetic Resonance in Medicine, ISSN 0740-3194, 07/2007, Volume 58, Issue 1, pp. 65 - 69
We present for the first time dynamic spectra and spectroscopic images acquired in normal rats at 3T following the injection of 13 C‐1‐pyruvate that was... 
spectroscopic imaging | hyperpolarized | pyruvate | in vivo metabolism | chemical shift imaging | In vivo metabolism | Pyruvate | Hyperpolarized | Spectroscopic imaging | Chemical shift imaging
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6. Full Text Magnetic resonance imaging of the time course of hyperpolarized 129 Xe gas exchange in the human lungs and heart
by Doganay, Ozkan and Chen, Mitchell and Matin, Tahreema and Rigolli, Marzia and Phillips, Julie-Ann and McIntyre, Anthony and Gleeson, Fergus V
European Radiology, ISSN 0938-7994, 05/2019, Volume 29, Issue 5, pp. 2283 - 2292
To perform magnetic resonance imaging (MRI), human lung imaging, and quantification of the gas-transfer dynamics of hyperpolarized xenon-129 (HPX) from the... 
Heart | Pulmonary emphysema | Magnetic resonance imaging | Xenon | Chemical shift imaging
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7. Full Text Metabolite-selective hyperpolarized 13C imaging using extended chemical shift displacement at 9.4 T
by Yang, Seungwook and Lee, Joonsung and Joe, Eunhae and Lee, Hansol and Choi, Young-Suk and Park, Jae Mo and Spielman, Daniel and Song, Ho-Taek and Kim, Dong-Hyun
Magnetic Resonance Imaging, ISSN 0730-725X, 05/2016, Volume 34, Issue 4, pp. 535 - 540
Purpose: To develop a technique for frequency-selective hyperpolarized C metabolic imaging in ultra-high field strength which exploits the broad spatial... 
Chemical shift displacement | Hyperpolarized | Metabolic imaging | 9.4 T
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8. Full Text Absolute value of the nuclear magnetic shielding of silicon and germanium atoms in Si/Ge(CH3)4
by Maldonado, Alejandro F and Aucar, Gustavo A
Chemical Physics, ISSN 0301-0104, 09/2015, Volume 459, pp. 125 - 130
The reference value of NMR magnetic shieldings, ( ), of a nucleus is of highest importance when theoretical analysis of chemical shifts are envisaged. For... 
Reference value | Chemical shift | NMR | Polarization propagators
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9. Full Text Least‐squares chemical shift separation for 13C metabolic imaging
by Reeder, Scott B and Brittain, Jean H and Grist, Thomas M and Yen, Yi‐Fen
Journal of Magnetic Resonance Imaging, ISSN 1053-1807, 10/2007, Volume 26, Issue 4, pp. 1145 - 1152
hyperpolarization | MR imaging | pyruvate | chemical shift imaging | Pyruvate | Hyperpolarization | Chemical shift imaging
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10. Full Text Atomic-resolution structure of a disease-relevant Aβ(1–42) amyloid fibril
by Marielle Aulikki Wälti and Francesco Ravotti and Hiromi Arai and Charles G. Glabe and Joseph S. Wall and Anja Böckmann and Peter Güntert and Beat H. Meier and Roland Riek and Brookhaven National Laboratory (BNL), Upton, NY (United States)
Proceedings of the National Academy of Sciences of the United States of America, ISSN 0027-8424, 8/2016, Volume 113, Issue 34, pp. E4976 - E4984
Amyloid-β (Aβ) is present in humans as a 39- to 42-amino acid residue metabolic product of the amyloid precursor protein. Although the two predominant forms,... 
Solid-state NMR | Amyloid | Alzheimer's disease | Protein structure | ANGLE-SPINNING NMR | CHEMICAL-SHIFT INDEX | EXPERIMENTAL CONSTRAINTS | PROTEIN SECONDARY STRUCTURE | ALZHEIMERS-DISEASE | MULTIDISCIPLINARY SCIENCES | NUCLEAR-MAGNETIC-RESONANCE | X-RAY-DIFFRACTION | protein structure | 3-DIMENSIONAL STRUCTURE | amyloid | solid-state NMR | A-BETA | BASIC BIOLOGICAL SCIENCES | Biological Sciences | PNAS Plus | Alzheimer’s disease
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11. Full Text Nuclear-magnetic-resonance shielding constants calculated by pseudospectral methods
by Cao, Yixiang and Beachy, Michael D and Braden, Dale A and Morrill, Laurie and Ringnalda, Murco N and Friesner, Richard A
Journal of Chemical Physics, ISSN 0021-9606, 06/2005, Volume 122, Issue 22, p. 224116
We have developed an algorithm based upon pseudospectral (PS) ab initio electronic structure methods for evaluating nuclear magnetic shielding constants using... 
POLYATOMIC-MOLECULES | CHEMICAL-SHIFT CALCULATIONS | HARTREE-FOCK EQUATIONS | COUPLED-CLUSTER CALCULATIONS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL
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12. Full Text How regioisomeric fullerene C60 bis-cycloadducts can be distinguished with 13C NMR? Quantum-chemical assessment and empirical correction
by Tulyabaev, Arthur R and Khalilov, Leonard M
Computational and Theoretical Chemistry, ISSN 2210-271X, 06/2019, Volume 1158, pp. 1 - 7
In this work, we propose a theoretical approach to distinguish fullerene C bis-cycloadducts with identical addends giving the same number of C NMR signals of... 
Bis-cycloadduct | Chemical shift | Regression analysis | 13C NMR | Fullerene C60
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13. Full Text Electronic structure and spectral characteristics of alkyl substituted imidazolium based dication-X2 (X = Br, BF4, PF6 and CF3SO3) complexes from theory
by Verma, Prakash L and Gejji, Shridhar P
Journal of Molecular Liquids, ISSN 0167-7322, 11/2019, Volume 293, p. 111548
Electronic structure, cation-anion binding and spectral characteristics of the alkyl substituted imidazolium dication and Br , BF , PF or CF SO anion complexes... 
1H NMR chemical shift | Hydrogen bonding | Vibrational spectra | QTAIM analyses
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14. Full Text TALOS plus : a hybrid method for predicting protein backbone torsion angles from NMR chemical shifts
by Shen, Y and Delaglio, F and Cornilescu, G and Bax, A
JOURNAL OF BIOMOLECULAR NMR, ISSN 0925-2738, 08/2009, Volume 44, Issue 4, pp. 213 - 223
NMR chemical shifts in proteins depend strongly on local structure. The program TALOS establishes an empirical relation between C-13, N-15 and H-1 chemical... 
SEQUENCE HOMOLOGY | 82-KDA ENZYME | BIOCHEMISTRY & MOLECULAR BIOLOGY | Secondary structure | SOLID-STATE | NEURAL-NETWORKS | SPECTROSCOPY | DATABASE | Order parameter | Dynamics | C-13(ALPHA) | ASSIGNMENT | Heteronuclear chemical shift | C-13 NMR | TALOS
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15. Full Text Management of adrenal incidentalomas: European Society of Endocrinology Clinical Practice Guideline in collaboration with the European Network for the Study of Adrenal Tumors
by Fassnacht, Martin and Arlt, Wiebke and Bancos, Irina and Dralle, Henning and Newell-Price, John and Sahdev, Anju and Tabarin, Antoine and Terzolo, Massimo and Tsagarakis, Stylianos and Dekkers, Olaf M
European Journal of Endocrinology, ISSN 0804-4643, 08/2016, Volume 175, Issue 2, pp. G1 - G34
By definition, an adrenal incidentaloma is an asymptomatic adrenal mass detected on imaging not performed for suspected adrenal disease. In most cases, adrenal... 
CELL LUNG-CANCER | INCREASED CARDIOVASCULAR RISK | POSITRON-EMISSION-TOMOGRAPHY | LAPAROSCOPIC ADRENALECTOMY | FINE-NEEDLE-ASPIRATION | BONE-MINERAL DENSITY | ENDOCRINOLOGY & METABOLISM | TERM-FOLLOW-UP | ADRENOCORTICAL CARCINOMA | SUBCLINICAL CUSHINGS-SYNDROME | CHEMICAL-SHIFT MRI | Adrenal Gland Neoplasms - diagnosis | Incidental Findings | Hydrocortisone - blood | Humans | Adrenal Gland Neoplasms - blood | Adrenal Gland Neoplasms - therapy
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16. Full Text Myasthenia Gravis
by Priola, AM and Veltri, A and Priola, SM
NEW ENGLAND JOURNAL OF MEDICINE, ISSN 0028-4793, 03/2017, Volume 376, Issue 13
QUANTITATIVE-ASSESSMENT | MEDICINE, GENERAL & INTERNAL | THYMIC HYPERPLASIA | CHEMICAL-SHIFT
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17. Full Text Pseudo nucleotide composition or PseKNC: an effective formulation for analyzing genomic sequences
by Chen, Wei and Lin, Hao and Chou, Kuo-Chen
ISSN 1742-206X, 9/2015, Volume 11, Issue 1, pp. 262 - 2634
With the avalanche of DNA/RNA sequences generated in the post-genomic age, it is urgent to develop automated methods for analyzing the relationship between the... 
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18. Full Text High-resolution mapping of human brain metabolites by free induction decay 1H MRSI at 7T
by Bogner, W and Gruber, S and Trattnig, S and Chmelik, M
NMR in Biomedicine, ISSN 0952-3480, 06/2012, Volume 25, Issue 6, pp. 873 - 882
Brain | Spectroscopy | Neurotransmitter | Free induction decay | Glutamate | Chemical shift imaging
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19. Full Text Quantitative H-1 NMR. Development and Potential of an Analytical Method: An Update
by Pauli, GF and Godecke, T and Jaki, BU and Lankin, DC
JOURNAL OF NATURAL PRODUCTS, ISSN 0163-3864, 04/2012, Volume 75, Issue 4, pp. 834 - 851
Covering the literature from mid-2004 until the end of 2011, this review continues a previous literature overview on quantitative H-1 NMR (qHNMR) methodology... 
H-1-NMR SPECTROSCOPY | CHEMISTRY, MEDICINAL | 2D NMR | NATURAL-PRODUCTS | NUCLEAR-MAGNETIC-RESONANCE | CHEMICAL-SHIFT | QUALITY-CONTROL | FUNCTIONAL GENOMICS | PLANT SCIENCES | INTERNAL STANDARD | COMBINATORIAL CHEMISTRY | PHARMACOLOGY & PHARMACY | REFERENCE-STANDARDS
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20. Full Text Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution H-1 Solid-State NMR Spectroscopy
by Salager, E and Day, GM and Stein, RS and Pickard, CJ and Elena, B and Emsley, L
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, ISSN 0002-7863, 03/2010, Volume 132, Issue 8, pp. 2564 - 2564
A fast method for crystal structure determination Using crystal structure prediction and solid-state H-1 NMI is presented. This technique does not need any... 
ELUCIDATION | C-13 | COMPLEXES | DYNAMICS | DIFFRACTION DATA | POLYMORPHISM | PROTON SPIN-DIFFUSION | CHEMISTRY, MULTIDISCIPLINARY | CHEMICAL-SHIFT TENSORS | MOLECULES
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