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Journal articles on the topic 'NMR Chemical Analysis'

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1

Holı́k, Miroslav. "NMR chemical shifts in correlation analysis." Journal of Molecular Structure 482-483 (May 1999): 347–51. http://dx.doi.org/10.1016/s0022-2860(98)00765-0.

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2

Steinberg, Avital, Miriam Karni, and David Avnir. "Continuous Symmetry Analysis of NMR Chemical Shielding Anisotropy." Chemistry - A European Journal 12, no. 33 (2006): 8534–38. http://dx.doi.org/10.1002/chem.200600331.

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3

Rehm, Thomas H., Christian Hofmann, Dorothee Reinhard, et al. "Continuous-flow synthesis of fluorine-containing fine chemicals with integrated benchtop NMR analysis." Reaction Chemistry & Engineering 2, no. 3 (2017): 315–23. http://dx.doi.org/10.1039/c7re00023e.

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4

Lundborg, Magnus, and Göran Widmalm. "Structural Analysis of Glycans by NMR Chemical Shift Prediction." Analytical Chemistry 83, no. 5 (2011): 1514–17. http://dx.doi.org/10.1021/ac1032534.

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5

Fukui, L., and Y. Chen. "NvMap: automated analysis of NMR chemical shift perturbation data." Bioinformatics 23, no. 3 (2006): 378–80. http://dx.doi.org/10.1093/bioinformatics/btl585.

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6

Antalek, Brian. "Using PGSE NMR for chemical mixture analysis: Quantitative aspects." Concepts in Magnetic Resonance Part A 30A, no. 5 (2007): 219–35. http://dx.doi.org/10.1002/cmr.a.20093.

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7

ASAKURA, Tetsuo. "Structural Analysis of Polymers Based on the Origin of the NMR Chemical Shift." KOBUNSHI RONBUNSHU 72, no. 11 (2015): 653–60. http://dx.doi.org/10.1295/koron.2015-0049.

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8

Kaseman, Derrick C., Michael T. Janicke, Rachel K. Frankle, et al. "Chemical Analysis of Fluorobenzenes via Multinuclear Detection in the Strong Heteronuclear J-Coupling Regime." Applied Sciences 10, no. 11 (2020): 3836. http://dx.doi.org/10.3390/app10113836.

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Chemical analysis via nuclear magnetic resonance (NMR) spectroscopy using permanent magnets, rather than superconducting magnets, is a rapidly developing field. Performing the NMR measurement in the strong heteronuclear J-coupling regime has shown considerable promise for the chemical analysis of small molecules. Typically, the condition for the strong heteronuclear J-coupling regime is satisfied at µT magnetic field strengths and enables high resolution J-coupled spectra (JCS) to be acquired. However, the JCS response to systematic chemical structural changes has largely not been investigated
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9

Pannequin, Anaïs, Erik Laurini, Laurent Giordano, Alain Muselli, Sabrina Pricl, and Aura Tintaru. "Caution: Chemical Instability of Natural Biomolecules During Routine Analysis." Molecules 25, no. 14 (2020): 3292. http://dx.doi.org/10.3390/molecules25143292.

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Natural products (NPs) constitute a significant source of active biomolecules widely used in medicine, pharmacology and cosmetics. However, NPs structural characterization has the drawback of their chemical instability during the extraction steps and their likely transformation during the analytical protocol. In particular, tamariscol and conocephalenol are two compounds largely used in the cosmetic industry for their odorant properties. Thus, in the present study, we focused on the evolution of these two metabolites (extracted from Frullania tamarisci and Conocephalum conicum, respectively),
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10

TUGAHAN, CHARISSE T., RHANNEY L. GONZALES, CHIEN-CHANG SHEN, MARIA CARMEN S. TAN, and CONSOLACION Y. RAGASA. "Chemical Constituents of Macaranga grandifolia." Asian Journal of Chemistry 35, no. 9 (2023): 2230–34. http://dx.doi.org/10.14233/ajchem.2023.28231.

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The chemical analysis of dichloromethane (DCM) extract of Macaranga grandifolia (Blanco) Merr. resulted in the isolation and identification of several compounds. From the leaves, vedelianin (1), squalene (2), β-carotene (3) and polyprenol (4) were isolated. The barks contained a mixture of stigmasterol (5a) and β-sitosterol (5b). Additionally, the fruits yielded saturated fatty acid (6). The elucidation of structure 1 was accomplished through the utilization of comprehensive 1D and 2D NMR spectroscopic techniques. The identification of the structures of compounds 2-6 was achieved through a com
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11

Chen, Xi, Andrey Smelter, and Hunter N. B. Moseley. "BaMORC: A Software Package for Accurate and Robust 13C Reference Correction of Protein NMR Spectra." Natural Product Communications 14, no. 5 (2019): 1934578X1984914. http://dx.doi.org/10.1177/1934578x19849142.

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We describe Bayesian Model Optimized Reference Correction (BaMORC), a software package that performs 13C chemical shifts reference correction for either assigned or unassigned peak lists derived from protein NMR spectra. BaMORC provides an intuitive command line interface that allows non-nuclear magnetic resonance (NMR) experts to detect and correct 13C chemical shift referencing errors of unassigned peak lists at the very beginning of NMR data analysis, further lowering the bar of expertise required for effective protein NMR analysis. Furthermore, BaMORC provides an application programming in
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12

Rotondo, Archimede, Francesca Rigano, and Luigi Mondello. "Comprehensive Chemical Characterization of the Pistacia vera Fruits through Original NMR Quantification Methods." Applied Sciences 10, no. 16 (2020): 5523. http://dx.doi.org/10.3390/app10165523.

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(1) Background: Pistacia vera is a dry fruit spread all over the world, commonly known as pistachio, and is very appreciated as a snack, as a precious ingredient for confectionery industries and also as a blessed touch for gourmet dishes; (2) Methods: The simultaneous NMR profiles concerning the hydrophilic and hydrophobic phases, enabled by a specific throughput over grinded pistachio seeds, led to the comprehensive chemical characterization of these nuts coming from different territories; (3) Results: The customized extraction method is described in detail as well as the employed nuclear mag
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13

Gunawan, Ramdhan, and Asep Bayu Dani Nandiyanto. "How to Read and Interpret 1H-NMR and 13C-NMR Spectrums." Indonesian Journal of Science and Technology 6, no. 2 (2021): 267–98. http://dx.doi.org/10.17509/ijost.v6i2.34189.

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Nuclear magnetic resonance spectroscopy or NMR is a chemical instrument that can be used to evaluate the structure of a chemical compound other than FTIR, GC-MS, and HPLC. NMR spectroscopy commonly used for compound analysis is 1H-NMR and 13C-NMR. Techniques can be used to determine the structure conformation, the number of protons, and the number of carbons in the structure of a chemical compound. So far, there have been many publications related to the use of this spectroscopic technique. However, the steps in reading and interpreting the spectra of both 1H-NMR and 13C-NMR are not described
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14

Cheng, H. N. "NMR analysis of compositional heterogeneity in polysaccharides." Pure and Applied Chemistry 89, no. 7 (2017): 877–83. http://dx.doi.org/10.1515/pac-2016-1020.

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AbstractMany copolysaccharides are compositionally heterogeneous, and the composition determined by the usual analytical or spectroscopic methods provides only an average value. For some polysaccharides, the NMR data contain copolymer sequence information, such as diad, triad, and tetrad sequence intensities. In such cases, it is possible to estimate the extent of compositional heterogeneity through NMR. Two general types of methodologies can be used: perturbed Markovian and discrete component approaches. The theoretical bases for these approaches are reviewed in this work, and three examples
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15

Mannu, Alberto, Ioannis K. Karabagias, Salvatore Baldino, Cristina Prandi, Vassilios K. Karabagias, and Anastasia V. Badeka. "13C NMR Dataset Qualitative Analysis of Grecian Wines." Data 5, no. 3 (2020): 78. http://dx.doi.org/10.3390/data5030078.

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The development of analytical techniques for characterizing food samples, especially for the wine industry, is a main topic of research. Regarding the classification of wines based on their geographical origin, nuclear magnetic resonance (NMR) spectroscopy represents a fast and effective tool for determining chemical fingerprints. Herein, a 13C NMR dataset, which was acquired for classification of Grecian wines through multivariate statistics, is reported and described. Thus, the main qualitative differences between grapes of the same geographical origin, observable by the visual analysis of t
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16

Bakibaev, A. A., М. Zh Sadvakassova, R. Sh Еrkasov, and А. Е. Аtagulova. "Identification and analysis of N-alkyl-N’-arylalkylureas by nuclear magnetic resonance." BULLETIN of the L.N. Gumilyov Eurasian National University. Chemistry. Geography. Ecology Series 130, no. 1 (2020): 18–22. http://dx.doi.org/10.32523/2616-6771-2020-130-1-18-22.

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This paper presents the results that allow one to reliably identify N-alkyl- (10 compounds) and N-alkyl-N’- arylalkylureas (12 compounds) based on the data of 1H and 13C nuclear magnetic resonance (NMR) methods. A systematic analysis has been carried out of chemical shifts in the NMR spectra of the compounds. Additionally, the authors have investigated the effect of the nitrogen atoms substituents on the chemical shifts in the NH2, NH, and C = O groups of urea.
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17

Selvaratnam, R., S. Chowdhury, B. VanSchouwen, and G. Melacini. "Mapping allostery through the covariance analysis of NMR chemical shifts." Proceedings of the National Academy of Sciences 108, no. 15 (2011): 6133–38. http://dx.doi.org/10.1073/pnas.1017311108.

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18

Robert, V., S. Petit, S. A. Borshch, and B. Bigot. "Theoretical Analysis of31P NMR Chemical Shifts in Vanadium Phosphorus Oxides." Journal of Physical Chemistry A 104, no. 19 (2000): 4586–91. http://dx.doi.org/10.1021/jp994400o.

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19

Katsuraya, Kaname, Kohsaku Okuyama, Kenichi Hatanaka, Ryuichi Oshima, Takaya Sato, and Kei Matsuzaki. "Constitution of konjac glucomannan: chemical analysis and 13C NMR spectroscopy." Carbohydrate Polymers 53, no. 2 (2003): 183–89. http://dx.doi.org/10.1016/s0144-8617(03)00039-0.

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20

Ubbink, Marcellus, and Derek S. Bendall. "Complex of Plastocyanin and CytochromecCharacterized by NMR Chemical Shift Analysis†." Biochemistry 36, no. 21 (1997): 6326–35. http://dx.doi.org/10.1021/bi963199u.

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21

Theis, Thomas, John W. Blanchard, Mark C. Butler, Micah P. Ledbetter, Dmitry Budker, and Alexander Pines. "Chemical analysis using J-coupling multiplets in zero-field NMR." Chemical Physics Letters 580 (August 2013): 160–65. http://dx.doi.org/10.1016/j.cplett.2013.06.042.

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22

Nuñez, Sean A., and Michael A. Hickner. "Quantitative1H NMR Analysis of Chemical Stabilities in Anion-Exchange Membranes." ACS Macro Letters 2, no. 1 (2012): 49–52. http://dx.doi.org/10.1021/mz300486h.

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23

Moore, G. R. "Carbon-13 NMR chemical shifts in structural and stereochemical analysis." Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 51, no. 13 (1995): 2428–29. http://dx.doi.org/10.1016/0584-8539(95)90091-8.

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24

Trainor, Kyle, Jeffrey A. Palumbo, Duncan W. S. MacKenzie, and Elizabeth M. Meiering. "Temperature dependence of NMR chemical shifts: Tracking and statistical analysis." Protein Science 29, no. 1 (2019): 306–14. http://dx.doi.org/10.1002/pro.3785.

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25

Dransfeld, Alk, and Paul von Ragué Schleyer. "Analysis of substituent effects on31P NMR chemical shifts: PX2Y molecules." Magnetic Resonance in Chemistry 36, S1 (1998): S29—S43. http://dx.doi.org/10.1002/(sici)1097-458x(199806)36:133.0.co;2-t.

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26

Cotos-Yáñez, Tomás R., Patricia García-Domínguez, Beatriz Iglesias, and Luis Muñoz. "Conformational analysis from statistical treatment of 13C NMR chemical shifts." Chemometrics and Intelligent Laboratory Systems 149 (December 2015): 132–39. http://dx.doi.org/10.1016/j.chemolab.2015.10.009.

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27

Schnitzer, Morris. "The in situ analysis of organic matter in soils." Canadian Journal of Soil Science 81, no. 3 (2001): 249–54. http://dx.doi.org/10.4141/s00-064.

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Traditionally, studies on soil organic matter (SOM) begin with the extraction of SOM from soils, its fractionation into humic acid, fulvic acid, and humin, followed by de-ashing of each fraction. These are tedious, laborious and inefficient procedures that do not provide any chemical information on these materials. Instead, recently developed methods such as solid-state 13C NMR and pyrolysis – field ionization mass spectrometry (Py-FIMS) can now be used for the in situ analysis of SOM in soils. These methods identify the major chemical components of SOM without extractions and fractionations,
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28

Skinner, Simon P., Benjamin T. Goult, Rasmus H. Fogh, et al. "Structure calculation, refinement and validation usingCcpNmr Analysis." Acta Crystallographica Section D Biological Crystallography 71, no. 1 (2015): 154–61. http://dx.doi.org/10.1107/s1399004714026662.

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CcpNmr Analysisprovides a streamlined pipeline for both NMR chemical shift assignment and structure determination of biological macromolecules. In addition, it encompasses tools to analyse the many additional experiments that make NMR such a pivotal technique for research into complex biological questions. This report describes howCcpNmr Analysiscan seamlessly link together all of the tasks in the NMR structure-determination process. It details each of the stages from generating NMR restraints [distance, dihedral, hydrogen bonds and residual dipolar couplings (RDCs)], exporting these to and su
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29

Wu, Wenxin, Chenlong Wang, Pinhui Zhao, et al. "The Fingerprint Identification of Asphalt Aging Based on 1H-NMR and Chemometrics Analysis." Materials 15, no. 19 (2022): 6825. http://dx.doi.org/10.3390/ma15196825.

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In this study, the chemical structure of asphalt aging was analyzed and identified based on 1H-NMR quantitative technology and chemometrics analysis. The characteristic full component information of 30 samples before and after aging from 5 different oil sources was measured by 1H-NMR, and the results were converted into a data matrix. This study used PCA, HAC, OPLS-DA, and Fisher discriminant analysis to evaluate the change rules of the chemical composition of asphalt from different oil sources after aging. The results showed that the 1H-NMR spectra of 30 asphalt samples were very similar, and
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30

Alencar, José Wilson, Maria Goretti de Vasconcelos Silva, Maria Iracema Lacerda Machado, Afrânio Aragão Craveiro, Francisco José de Abreu Matos, and Ruy de Abreu Magalhães. "Use of13C-NMR as complementar identification tool in essential oil analysis." Spectroscopy 13, no. 4 (1997): 265–73. http://dx.doi.org/10.1155/1997/930701.

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A program using13C-NMR data was developed to improve GC/MS identifications of chemical constituents in essential oils. Compiled data uses 2290 and 2370 chemical shifts of 229 monoterpenes and 158 sesquiterpenes, respectively, stored into two reference libraries. Each carbon atom was codified using rules that correlates its chemical shift with structural features of the carbon hybridization and vicinity.
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31

Li, Xiao-Jun, Kwan-Woo Kim, Qin-Peng Zou, et al. "Chemical Constituents from Stems of Pileostegia viburnoides." Natural Product Communications 14, no. 1 (2019): 1934578X1901400. http://dx.doi.org/10.1177/1934578x1901400127.

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Phytochemical investigation on the stems of Pileostegia viburnoides Hook.f.et Thoms led to the isolation of twelve compounds, including two steroids (1 and 10), two fatty compounds (2 and 12), seven triterpenoids (3–9), and one coumarin glycoside (11). 24-methylene-5α-dammara-20(21)-en-3β-yl acetate (5), a rare dammarane-tetracyclic triterpene had been first reported just according to the typical 1H-NMR signals analysis, melting point and optical rotation in 1975. However, the complete and reliable NMR and mass data were still unknown. This is the first time to identify the planar and spatial
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32

Gimenez, Diana, Aoife Phelan, Cormac D. Murphy, and Steven L. Cobb. "19F NMR as a tool in chemical biology." Beilstein Journal of Organic Chemistry 17 (January 28, 2021): 293–318. http://dx.doi.org/10.3762/bjoc.17.28.

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We previously reviewed the use of 19F NMR in the broad field of chemical biology [Cobb, S. L.; Murphy, C. D. J. Fluorine Chem. 2009, 130, 132–140] and present here a summary of the literature from the last decade that has the technique as the central method of analysis. The topics covered include the synthesis of new fluorinated probes and their incorporation into macromolecules, the application of 19F NMR to monitor protein–protein interactions, protein–ligand interactions, physiologically relevant ions and in the structural analysis of proteins and nucleic acids. The continued relevance of t
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33

Ban, Ninh Khac, Nguyen Thi Kim Thoa, Tran My Linh, et al. "Chemical Constituents of Vitex trifolia Leaves." Natural Product Communications 13, no. 2 (2018): 1934578X1801300. http://dx.doi.org/10.1177/1934578x1801300205.

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Using various chromatographic methods, one new lanostane triterpene, 3 α-hydroxylanosta-8,24 E-dien-26-oic acid (1), one new lignan, matairesinol 4'- O-β-D-glucopyranoside (2) along with five known compounds, ecdysone (3), 20-hydroxyecdysone (4), 20-hydroxyecdysone 2,3-monoacetonide (5), turkesterone (6), and polypodine B (7) were isolated from the leaves of Vitex trifolia L. Their structures were elucidated by 1D-, 2D-NMR spectroscopic analysis, HR-ESI-MS, CD, and by comparing with the NMR data reported in the literature.
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34

Mahun, Andrii, Sabina Abbrent, Jiri Czernek, et al. "Reconstructing Reliable Powder Patterns from Spikelets (Q)CPMG NMR Spectra: Simplification of UWNMR Crystallography Analysis." Molecules 26, no. 19 (2021): 6051. http://dx.doi.org/10.3390/molecules26196051.

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Spikelets NMR spectra are very popular as they enable the shortening of experimental time and give the possibility to obtain required NMR parameters for nuclei with ultrawide NMR patterns. Unfortunately, these resulted ssNMR spectra cannot be fitted directly in common software. For this reason, we developed UWNMRSpectralShape (USS) software which transforms spikelets NMR patterns into single continuous lines. Subsequently, these reconstructed spectral envelopes of the (Q)CPMG spikelets patterns can be loaded into common NMR software and automatically fitted, independently of experimental setti
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35

Acharjee, Nivedita, and Tuhin Ghosh. "Structure Analysis of Sulfated Polysaccharides Extracted from Scinaia interrupta: A Experimental and Density Functional Theory Studies." Asian Journal of Chemistry 32, no. 7 (2020): 1589–96. http://dx.doi.org/10.14233/ajchem.2020.22609.

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In present report, a combined experimental and theoretical study has been performed to address the isolation procedure and spectroscopic structure elucidation of polysaccharides such as xylomannan isolated from marine red algal source Scinaia interrupta. The structure of the polysaccharides obtained from the red algae of Scinaia interrupta has been studied from NMR, IR and GC-MS spectroscopy. The investigation revealed that red algae contained a backbone of α-(1→4)-linked D-mannopyranosyl residues substituted at 6-position with a single stub of β-D-xylopyranosyl residues. The major polysacchar
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36

Jovanovic, Jovan, Michael Spiteller, and Peter Spiteller. "NMR analysis of 2-(2’,3’-dihydro-1’H-inden-1’-yl)-1H-indene." Journal of the Serbian Chemical Society 66, no. 11-12 (2001): 753–63. http://dx.doi.org/10.2298/jsc0112753j.

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1H, 13Cand two dimensional NMR analyses were applied to determine the NMR parameters of 2-(2?,3?-dihydro-1?H-inden-1?-yl)-1H-indene. The chemical shifts of all the H- and C-atoms, as well as the appropriate coupling constants were determined and the complete NMR resonance assignments of the molecule are given. The predicted patterns of the four different H atoms of the two methylene groups of the indane structural element coincided completely with the complex patterns in the NMR spectra.
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37

Gronski, Wolfram, Uwe Hoffmann, Gerald Simon, Andre Wutzler, and Ekkehard Straube. "Structure and Density of Crosslinks in Natural-Rubber Vulcanizates. A Combined Analysis by NMR Spectroscopy, Mechanical Measurements, and Rubber-Elastic Theory." Rubber Chemistry and Technology 65, no. 1 (1992): 63–77. http://dx.doi.org/10.5254/1.3538608.

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Abstract 13C-NMR MAS solid-state spectroscopy and 1H-NMR relaxation measurements have been applied for quantitative determination of crosslink density in sulfur-accelerated NR vulcanizates. It is shown that the 13C-NMR method is able to distinguish between monosulfidic crosslinks and polysulfldic structures; therefore a quantitative determination of chemical crosslinks was possible. An analysis of 13-NMR transversal relaxation measurements provided the network densities which were in good agreement with the results of the 13C-NMR measurements. Comparing stress-strain data with the spectroscopi
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38

Arriaga, Ângela M. C., Edinilza M. A. Feitosa, Telma L. G. Lemos, et al. "Chemical Constituents and Insecticidal Activity of Rollinia leptopetala (Annonaceae)." Natural Product Communications 3, no. 10 (2008): 1934578X0800301. http://dx.doi.org/10.1177/1934578x0800301021.

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The present work describes the isolation of dehydrodiscretamine, discretamine, liriodenine, lichexanthone, molvizarin, rolliniastatin-1, annonacin and bullatacin from roots of Rollinia leptopetala R E Fries. The structures were established after analysis of their NMR spectral data including 2D NMR experiments. With the exception of discretamine, the presence of these compounds in R. leptopetala and the NMR data of dehydrodiscretamine are reported for the first time. The CH2Cl2 extract of the roots demonstrated high larvicidal activity against Aedes aegypti, with an LC50 value of 1.44±2.0 ppm.
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39

Hung, Nguyen Huy. "CHEMICAL CONSTITUENTS FROM THE SEEDS OF ANNONA RETICULATA L. IN VIETNAM." Vietnam Journal of Science and Technology 54, no. 4A (2018): 221. http://dx.doi.org/10.15625/2525-2518/54/4a/11997.

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In the present study, the chemical investigation of the seeds of A. reticulata L. (Annonaceae) in Vietnam has resulted in the identification of four known compounds, including two triterpenoids (rotundic acid (1), pedunculoside (2)), and two phenolic compounds (eleutheroside B (3), sinapaldehyde glucoside (4). Their chemical structures were elucidated on the basis of spectroscopic analysis, including homonuclear and heteronuclear correlation NMR (1H-NMR, 13C-NMR, COSY, HSQC, and HMBC) experiments.
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40

Petráková, Eva, Jan Schraml, Ján Hirsch, Magdalena Kvíčalová, Jan Zelený, and Václav Chvalovský. "Analysis of oligosaccharides. 29Si and 13C NMR spectra of pertrimethylsilylated oligosaccharides derived from xylopyranose." Collection of Czechoslovak Chemical Communications 52, no. 6 (1987): 1501–13. http://dx.doi.org/10.1135/cccc19871501.

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29Si and 13C chemical shifts are reported for a series of 30 pertrimethylsilylated oligosaccharides containing xylopyranosyl unit. The number of lines in 29Si NMR spectra is in all cases in agreement with the number of hydroxyl groups present in the parent compound prior to trimethylsilylation. The results demonstrate the usefulness of 29Si NMR spectroscopy for the analysis of oligosaccharides and other polyfunctional compounds. The validity of direct additivity of 13C chemical shifts is tested on some model trisaccharides.
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41

Auer, Dominik, Martin Kaupp, and Carsten Strohmann. "“Unexpected”29Si NMR Chemical Shifts in Heteroatom-Substituted Silyllithium Compounds: A Quantum-Chemical Analysis." Organometallics 23, no. 15 (2004): 3647–55. http://dx.doi.org/10.1021/om049812k.

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42

Humphrey, S. M., and P. B. Garlick. "NMR-visible ATP and Pi in normoxic and reperfused rat hearts: a quantitative study." American Journal of Physiology-Heart and Circulatory Physiology 260, no. 1 (1991): H6—H12. http://dx.doi.org/10.1152/ajpheart.1991.260.1.h6.

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Nuclear magnetic resonance (NMR) spectroscopy detects only free, unbound metabolites. We have therefore compared the free high-energy phosphate content of isolated perfused rat hearts (determined by 31P-NMR) with the total high-energy phosphates of the same hearts (determined by chemical analysis) to determine the fractions, if any, that are NMR invisible. Aerobic perfusion (40 min at 37 degrees C, Pi-free Krebs buffer) was followed by 10, 14, or 18 min total global ischemia and 30 min reperfusion (n = 6 in each group). Fully relaxed 31P-NMR spectra (40 scans using 90 degrees pulses at 15-s in
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43

Beeren, Sophie R., and Sebastian Meier. "Supramolecular chemical shift reagents inducing conformational transitions: NMR analysis of carbohydrate homooligomer mixtures." Chemical Communications 51, no. 15 (2015): 3073–76. http://dx.doi.org/10.1039/c4cc09710f.

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44

Piryaei, Forozan, Nahid Shajari, and Hooriye Yahyaei. "Efficient ZrO(NO3)2.2H2O Catalyzed Synthesis of 1H-Indazolo[1,2-b] phthalazine-1,6,11(13H)-triones and Electronic Properties Analyses, Vibrational Frequencies, NMR Chemical Shift Analysis, MEP: A DFT Study." Heteroatom Chemistry 2020 (March 1, 2020): 1–13. http://dx.doi.org/10.1155/2020/9483520.

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The synthesis of 1H-indazolo[1,2-b]phthalazine-1,6,11(13H)-trione derivatives, using one-pot three-component condensation reaction of 3-nitrophthalic anhydride, hydrazine monohydrate, dimedone, and aromatic aldehydes in the presence of ZrO(NO3)2.2H2O as the novel catalyst and in reflux conditions in EtOH was reported. Quantum theoretical calculations for three structures of compounds (5a, 5b, and 5c) were performed using the Hartree–Fock (HF) and density functional theory (DFT). From the optimized structure, geometric parameters were obtained and experimental measurements were compared with th
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Ok, Salim, and Tapas K. Mal. "NMR Spectroscopy Analysis of Asphaltenes." Energy & Fuels 33, no. 11 (2019): 10391–414. http://dx.doi.org/10.1021/acs.energyfuels.9b02240.

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Lahouar, Ghada, Amira Bahy, Ridha Touati, and Bechir Ben hassine. "Synthesis of new optically pure isoxazolines via 1,3-dipolar cycloaddition of nitrile oxides with allyl esters derived from eugenol." JOURNAL OF ADVANCES IN CHEMISTRY 12, no. 4 (2016): 4333–37. http://dx.doi.org/10.24297/jac.v12i4.2173.

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1,3-dipolar cycloaddition of arylnitrile oxides with allyl ester prepared from eugenol afforded new chiral isoxazolines in good yields. The chemical structure of this compounds was characterized by 1H NMR,13C NMR, 2D NMR and TOF-MS analysis. All the cycloadducts were obtained through a regiospecific and stereospecific pathway and all cases, only one isomer was isolated, as established by unambiguous NMR analysis
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Zhang, Huimin, Hongguang Yan, Cuixiang Lu, Hui Lin, and Quan Li. "Solid-state NMR Spectroscopic Analysis of Sweet Cherry Leaves under Different Cultivation Patterns." HortScience 56, no. 2 (2021): 270–76. http://dx.doi.org/10.21273/hortsci15346-20.

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Solid-state 1H-NMR and 13C-NMR spectroscopy were used to investigate the chemical components of sweet cherry tree leaves under rain-shelter cultivation (RS) and open-field cultivation (CK). The 1H-NMR spectral chemical shifts of RS and CK showed differences in height and integral value. The δ 1–3, δ 3–4, δ 4–6, and δ 6–10 regions were attributed to the hydrogen signals of aliphatic compounds, unsaturated carbohydrate compounds, and aromatic compounds, respectively. Among the four regions, the percentage of signal strength and the integral value of hydrogen signals of RS and CK were 34.25% and
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Aidarova, Saule B., Assem B. Issayeva, Altynay A. Sharipova, et al. "Analysis of NMR Spectra of Submicro-Containers with Biocide DCOIT." Colloids and Interfaces 4, no. 4 (2020): 56. http://dx.doi.org/10.3390/colloids4040056.

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Nowadays, the search for and development of new forms of materials with biocides is an actual problem of the modern science of nanosized materials due to the problem of microbiological contamination, which can be solved by using nanocontainers carrying biocides. Depending on the morphology of the nanocontainers and the filled active agents, it is possible to create coatings with specially designed self-healing functionality or multifunctional properties. The purpose of this work was to produce submicro-containers (SMCs) with a shell of SiO2 nanoparticles and a core of polymerized 3-(trimethoxy
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Griffiths, Lee. "Towards the automatic analysis of1H NMR spectra: Part 5. Confirmation of chemical structure with flow-NMR." Magnetic Resonance in Chemistry 44, no. 1 (2005): 54–58. http://dx.doi.org/10.1002/mrc.1724.

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Kirberger, Steven E., Peter D. Ycas, Jorden A. Johnson, et al. "Selectivity, ligand deconstruction, and cellular activity analysis of a BPTF bromodomain inhibitor." Organic & Biomolecular Chemistry 17, no. 7 (2019): 2020–27. http://dx.doi.org/10.1039/c8ob02599a.

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