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Correction to “A reliable external calibration method for reaction monitoring with benchtop NMR” Magn. Reson. Chem. (IF 2.0) Pub Date : 2024-03-14
T. Maschmeyer, B. Conklin, T. C. Malig, D. J. Russell, K. L. Kurita, J. E. Hein, J. G. Napolitano, Magn Reson Chem 2024, 62(3), 169. https://doi.org/10.1002/mrc.5421 This article, erroneously published in Magnetic Resonance in Chemistry, Volume 62, Issue 3, 2024, is an article from Special Issue: Benchtop/Cryofree NMR. We apologize for this error.
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SimpleNMR: An interactive graph network approach to aid constitutional isomer verification using standard 1D and 2D NMR experiments Magn. Reson. Chem. (IF 2.0) Pub Date : 2024-03-06 Eric Hughes, Alan M. Kenwright
Despite progress in computer automated solutions, constitutional isomer verification by NMR using one‐ and two‐dimensional data sets is still, in the main, a manual, user‐intensive activity that is challenging for a number of reasons. These include the problem of simultaneously keeping track of the information from a number of separate NMR experiments and the difficulty of another researcher subsequently
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Methyl α‐D‐galactopyranosyl‐(1→3)‐β‐D‐galactopyranoside and methyl β‐D‐galactopyranosyl‐(1→3)‐β‐D‐galactopyranoside: Glycosidic linkage conformation determined from MA'AT analysis Magn. Reson. Chem. (IF 2.0) Pub Date : 2024-02-28 Reagan Meredith, Yuping Zhu, Mi‐Kyung Yoon, Timothy Tetrault, Jieye Lin, Wenhui Zhang, Margaret McGurn, Evan Cook, Reed Popp, Pradip Shit, Ian Carmichael, Anthony S. Serianni
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Ambient temperature 1H/13C NMR spectra of sodium 3‐(trimethylsilyl)propane‐1‐sulfonate (DSS) in D2O referenced to external TMS: A discussion of these and closely related results. Corrections for the bulk magnetic susceptibility effect for aqueous NMR samples Magn. Reson. Chem. (IF 2.0) Pub Date : 2024-02-26 Ryszard B. Nazarski
This study aimed to obtain the title spectra and verify the temperature dependence of δDSS of the HOD signal from D2O of the NMR sample. However, the analysis of the collected δX data, extended by the results of other closely related measurements reported in the literature, provided important guidelines for performing routine 1H/13C NMR spectra in aqueous solvents externally referenced to neat liquid
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Cryogen‐free 400‐MHz nuclear magnetic resonance spectrometer as a versatile tool for pharmaceutical process analytical technology Magn. Reson. Chem. (IF 2.0) Pub Date : 2024-02-19 Maria Victoria Silva Elipe, Ikenna Edward Ndukwe, James I. Murray
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Analysis of complex mixtures with benchtop nuclear magnetic resonance: Solvent suppression with T2 and diffusion filters Magn. Reson. Chem. (IF 2.0) Pub Date : 2024-02-19 Anh Le‐McClain, Curt Zanelotti, Hector Robert, Federico Casanova
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Dynamics of eugenol included in β-cyclodextrin by nuclear magnetic resonance and molecular simulations Magn. Reson. Chem. (IF 2.0) Pub Date : 2024-02-18 Alejandro Hernández-Tanguma, Armando Ariza-Castolo
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Multinuclear 1H/13C/15N chemical shift assignment of therapeutic octreotide acetate performed at natural abundance Magn. Reson. Chem. (IF 2.0) Pub Date : 2024-02-13 Alexander J. Menke, Fu Chen, Kang Chen
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Issue Information Magn. Reson. Chem. (IF 2.0) Pub Date : 2024-02-11
No abstract is available for this article.
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Supporting the assignment of NMR spectra with variable-temperature experiments Magn. Reson. Chem. (IF 2.0) Pub Date : 2024-02-01 Ewa K. Nawrocka, Michał Jadwiszczak, Piotr J. Leszczyński, Krzysztof Kazimierczuk
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Slice through the water—Exploring the fundamental challenge of water suppression for benchtop NMR systems Magn. Reson. Chem. (IF 2.0) Pub Date : 2024-01-28 Jacob Pellizzari, Ronald Soong, Katelyn Downey, Rajshree Ghosh Biswas, Flavio C. Kock, Katrina Steiner, Benjamin Goerling, Agnes Haber, Venita Decker, Falko Busse, Myrna Simpson, Andre Simpson
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The combination of inorganic phosphate and pyrophosphate 31P-NMR for the electrodeless pH determination in the 5–12 range Magn. Reson. Chem. (IF 2.0) Pub Date : 2024-01-20 Paola Carta, Mariano Andrea Scorciapino
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NMR characterization of uniformly 13C- and/or 15N-labeled, unsulfated chondroitins with high molecular weights Magn. Reson. Chem. (IF 2.0) Pub Date : 2024-01-18 Megumi Ichikawa, Yuya Otsuka, Toshikazu Minamisawa, Noriyoshi Manabe, Yoshiki Yamaguchi
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Quantitative at-line monitoring of enzymatic hydrolysis using benchtop diffusion nuclear magnetic resonance spectroscopy Magn. Reson. Chem. (IF 2.0) Pub Date : 2024-01-18 Evan R. McCarney, Kenneth A. Kristoffersen, Kathryn E. Anderssen
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Overcoming NMR line broadening of nitrogen containing compounds: A simple solution Magn. Reson. Chem. (IF 2.0) Pub Date : 2024-01-23 Junhe Ma, Qingmei Ye, Rebecca A. Green, John Gurak, Sloan Ayers, Yande Huang, Scott A. Miller
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13C NMR as an analytical tool for the detection of carbonic acid and pKa determination Magn. Reson. Chem. (IF 2.0) Pub Date : 2024-01-23 Daniel Rossado Oliveira, Eric Tavares da Costa, Leonardo Araujo Schenberg, Lucas Colucci Ducati, Claudimir Lucio do Lago
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Distinguishing between COOH, COO−, and hydrogen disordered COOH sites in solids with 13C chemical shift anisotropy and T1 measurements Magn. Reson. Chem. (IF 2.0) Pub Date : 2024-01-18 Ryan Toomey, Jacob Powell, Jacob Cheever, James K. Harper
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Brewing alcohol 101: An undergraduate experiment utilizing benchtop NMR for quantification and process monitoring Magn. Reson. Chem. (IF 2.0) Pub Date : 2024-01-17 Amy Jenne, Ronald Soong, Katelyn Downey, Rajshree Ghosh Biswas, Venita Decker, Falko Busse, Benjamin Goerling, Agnes Haber, Myrna J. Simpson, Andre J. Simpson
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Carbon-13 chemical shift tensor measurements for nitrogen-dense compounds Magn. Reson. Chem. (IF 2.0) Pub Date : 2024-01-17 Sean T. Holmes, Cameron M. Boley, Angelika Dewicki, Zachary T. Gardner, Cameron S. Vojvodin, Robbie J. Iuliucci, Robert W. Schurko
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Temperature lowering of liquid nitrogen via injection of helium gas bubbles improves the generation of parahydrogen-enriched gas Magn. Reson. Chem. (IF 2.0) Pub Date : 2024-01-03 James Daley, Joseph Siciliano, Vincent Ferraro, Elodie Sutter, Adam Lounsbery, Nicholas Whiting
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Issue Information Magn. Reson. Chem. (IF 2.0) Pub Date : 2023-12-22
No abstract is available for this article.
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Polarization transfer methods for quantitative analysis of flowing mixtures with benchtop 13C NMR spectroscopy Magn. Reson. Chem. (IF 2.0) Pub Date : 2023-12-19 Johnnie Phuong, Zeno Romero, Hans Hasse, Kerstin Münnemann
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Predicting 51V nuclear magnetic resonance observables in molecular crystals Magn. Reson. Chem. (IF 2.0) Pub Date : 2023-12-19 Joshua D. Hartman, Daniel Capistran
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A reliable external calibration method for reaction monitoring with benchtop NMR Magn. Reson. Chem. (IF 2.0) Pub Date : 2023-12-20 Tristan Maschmeyer, Breanna Conklin, Thomas C. Malig, David J. Russell, Kenji L. Kurita, Jason E. Hein, José G. Napolitano
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Twenty years of nmrshiftdb2: A case study of an open database for analytical chemistry Magn. Reson. Chem. (IF 2.0) Pub Date : 2023-12-19 Stefan Kuhn, Heinz Kolshorn, Christoph Steinbeck, Nils Schlörer
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Intracellular pyruvate–lactate–alanine cycling detected using real-time nuclear magnetic resonance spectroscopy of live cells and isolated mitochondria Magn. Reson. Chem. (IF 2.0) Pub Date : 2023-12-14 G. A. Nagana Gowda, John A. Lusk, Vadim Pascua
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PDSFit: PDS data analysis in the presence of orientation selectivity, g-anisotropy, and exchange coupling Magn. Reson. Chem. (IF 2.0) Pub Date : 2023-12-12 Dinar Abdullin, Pablo Rauh Corro, Tobias Hett, Olav Schiemann
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Determination of self-diffusion coefficients in mixtures with benchtop 13C NMR spectroscopy via polarization transfer Magn. Reson. Chem. (IF 2.0) Pub Date : 2023-11-28 Johnnie Phuong, Sarah Mross, Daniel Bellaire, Hans Hasse, Kerstin Münnemann
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Non-uniform sampling to enhance the performance of compact NMR for characterizing new psychoactive substances Magn. Reson. Chem. (IF 2.0) Pub Date : 2023-11-23 Thomas Castaing-Cordier, Sélina Crasnier, Damien Dubois, Virginie Ladroue, Audrey Buleté, Cédric Prudhomme, Céline Charvoz, Fabrice Besacier, Denis Jacquemin, Patrick Giraudeau, Jonathan Farjon
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To flame-seal or not to flame-seal NMR tubes: The role of liquid–vapor equilibria on the accuracy of variable temperature experiments Magn. Reson. Chem. (IF 2.0) Pub Date : 2023-11-22 Derek Morrelli, Santanu Maitra, V. V. Krishnan
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Issue Information Magn. Reson. Chem. (IF 2.0) Pub Date : 2023-11-21
No abstract is available for this article.
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13C-depleted algae as food: Permitting background free in-vivo nuclear magnetic resonance of Daphnia magna at natural abundance Magn. Reson. Chem. (IF 2.0) Pub Date : 2023-11-20 William W. Wolff, Jacob Pellizzari, Ronald Soong, Daniel H. Lysak, Katrina Steiner, Kiera Ronda, Peter Costa, Katelyn Downey, Vincent Moxley-Paquette, Chris Suszczynski, Steven Boehmer, Jacob R. Prat, Andre J. Simpson
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Permethylation as a strategy for high-molecular-weight polysaccharide structure analysis by nuclear magnetic resonance—Case study of Xylella fastidiosa extracellular polysaccharide Magn. Reson. Chem. (IF 2.0) Pub Date : 2023-11-20 Ikenna E. Ndukwe, Ian Black, Claudia A. Castro, Jiri Vlach, Christian Heiss, Caroline Roper, Parastoo Azadi
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Theoretical studies on the local structure and spin Hamiltonian parameters for Cu2+ ions in LiTaO3 crystal Magn. Reson. Chem. (IF 2.0) Pub Date : 2023-11-17 Yun Chen, Lu Tang, Houdao Cai, Meiyun Zhang, Xunjie Wang, Cuidi Feng, Wenbo Xiao, Huaming Zhang
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Solid-state 35/37Cl NMR detection of chlorine atoms directly bound to paramagnetic cobalt(II) ions in powder samples Magn. Reson. Chem. (IF 2.0) Pub Date : 2023-11-11 Lukas Bauder, Gang Wu
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Can simple ‘molecular’ corrections outperform projector augmented-wave density functional theory in the prediction of 35Cl electric field gradient tensor parameters for chlorine-containing crystalline systems? Magn. Reson. Chem. (IF 2.0) Pub Date : 2023-11-11 Cory M. Widdifield, Fatemeh Zakeri
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6aH-Benzo[α]fluorene: NMR evidence of the unexpected product of the reaction of butyryl chloride with 1,2-diphenylacetylene Magn. Reson. Chem. (IF 2.0) Pub Date : 2023-11-08 Sergey V. Zinchenko, Valentina A. Kobelevskaya, Alexander V. Popov
The reaction of butyryl chloride with ethynylbenzene in the presence of AlCl3 afforded a mixture of the Z/E-isomers of 1-chloro-2-phenylhex-1-en-3-one. 1,2-Diphenylethyne under these conditions gave a novel polycarbocycle core, 6aH-benzo[a]fluorene. The chemical structure of 11-chloro-5,6-diphenyl-6a-propyl-6aH-benzo[a]fluorene was established by means of IE-MS, 1H, 13C NMR, COSY, HSQC, HMBC, and 2D
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Challenges and opportunities in elucidating the structures of biofilm exopolysaccharides: A case study of the Pseudomonas aeruginosa exopolysaccharide called Pel Magn. Reson. Chem. (IF 2.0) Pub Date : 2023-11-02 Kristen Amyx-Sherer, Courtney Reichhardt
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The effect of tube quality on externally calibrated quantitative nuclear magnetic resonance analysis: How bad can it be? Magn. Reson. Chem. (IF 2.0) Pub Date : 2023-11-05 Jessica L. Ochoa, Stephan Germann, Breanna Conklin, Kenji Kurita, David J. Russell, Cassie Yang, José G. Napolitano
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Simulation of oriented NMR spectra: Combining molecular dynamics and chemical shift tensor calculations Magn. Reson. Chem. (IF 2.0) Pub Date : 2023-10-26 Ulrich Sternberg, Raiker Witter
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Molecular precursors to produce para-hydrogen enhanced metabolites at any field Magn. Reson. Chem. (IF 2.0) Pub Date : 2023-10-11 Anil P. Jagtap, Salvatore Mamone, Stefan Glöggler
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Low-field, not low quality: 1D simplification, selective detection, and heteronuclear 2D experiments for improving low-field NMR spectroscopy of environmental and biological samples Magn. Reson. Chem. (IF 2.0) Pub Date : 2023-10-09 Katelyn Downey, Wolfgang Bermel, Ronald Soong, Daniel H. Lysak, Kiera Ronda, Katrina Steiner, Peter M. Costa, William W. Wolff, Venita Decker, Falko Busse, Benjamin Goerling, Agnes Haber, Myrna J. Simpson, Andre J. Simpson
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Issue Information Magn. Reson. Chem. (IF 2.0) Pub Date : 2023-10-05
No abstract is available for this article.
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Studying the interaction of glycans with intact virions and virus-like particles by ligand-observed NMR spectroscopy Magn. Reson. Chem. (IF 2.0) Pub Date : 2023-09-30 Thomas Haselhorst
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Reaction monitoring via benchtop nuclear magnetic resonance spectroscopy: A practical comparison of on-line stopped-flow and continuous-flow sampling methods Magn. Reson. Chem. (IF 2.0) Pub Date : 2023-09-22 Tristan Maschmeyer, David J. Russell, José G. Napolitano, Jason E. Hein
The ability for nuclear magnetic resonance (NMR) spectroscopy to provide quantitative, structurally rich information makes this spectroscopic technique an attractive reaction monitoring tool. The practicality of NMR for this type of analysis has only increased in the recent years with the influx of commercially available benchtop NMR instruments and compatible flow systems. In this study, we aim to
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Characterization of fatty acid forms using benchtop NMR in omega-3 oil supplements Magn. Reson. Chem. (IF 2.0) Pub Date : 2023-09-22 Carla Remy, Saïda Danoun, Mathieu Delample, Cameron Morris, Véronique Gilard, Stéphane Balayssac
Omega-3 fatty acid supplements, such as fish oil and plant-based oils, have gained popularity because of their potential health benefits. However, the quality and composition of these supplements can vary widely, particularly in terms of the two main forms of omega-3 fatty acids: triacylglycerols (TAGs) and ethyl esters (EEs). TAGs are the natural form found in fish oil but are prone to oxidation,
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Charting the solid-state NMR signals of polysaccharides: A database-driven roadmap Magn. Reson. Chem. (IF 2.0) Pub Date : 2023-09-19 Wancheng Zhao, Debkumar Debnath, Isha Gautam, Liyanage D. Fernando, Tuo Wang
Solid-state nuclear magnetic resonance (ssNMR) measurements of intact cell walls and cellular samples often generate spectra that are difficult to interpret due to the presence of many coexisting glycans and the structural polymorphism observed in native conditions. To overcome this analytical challenge, we present a statistical approach for analyzing carbohydrate signals using high-resolution ssNMR
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J-filter: An experiment to simplify and isolate specific signals in 1H NMR spectra of complex mixtures based on scalar coupling constants Magn. Reson. Chem. (IF 2.0) Pub Date : 2023-09-19 Karen V. Góñez, Juan Suárez García, F. Javier Sardina, Yolanda Pazos, Ángela Saá, Manuel Martín−Pastor
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Quantitative NMR using water as internal calibrant Magn. Reson. Chem. (IF 2.0) Pub Date : 2023-09-19 Bosong Xiang
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Pure shift FESTA: An ultra-high resolution NMR tool for the analysis of complex fluorine-containing spin systems Magn. Reson. Chem. (IF 2.0) Pub Date : 2023-09-09 Coral Mycroft, Marshall J. Smith, Mathias Nilsson, Gareth A. Morris, Laura Castañar
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Reactivation of Ni-TiO2 catalysts in hydrogen flow and in supercritical 2-propanol—Comparative study by electron spin resonance in situ Magn. Reson. Chem. (IF 2.0) Pub Date : 2023-09-08 Irina Kandarakova, Stanislav Yakushkin, Nikolay Nesterov, Alexey Philippov, Oleg Martyanov
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Issue Information Magn. Reson. Chem. (IF 2.0) Pub Date : 2023-09-05
No abstract is available for this article.
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Mapping of 1H NMR chemical shifts relationship with chemical similarities for the acceleration of metabolic profiling: Application on blood products Magn. Reson. Chem. (IF 2.0) Pub Date : 2023-09-04 Panteleimon G. Takis, Varvara A. Aggelidou, Caroline J. Sands, Alexandra Louka
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Differentiation of patients with and without prostate cancer using urine 1H NMR metabolomics Magn. Reson. Chem. (IF 2.0) Pub Date : 2023-09-01 Anna-Laura Hasubek, Xiaoyu Wang, Ella Zhang, Marta Kobus, Jiashang Chen, Lindsey A. Vandergrift, Annika Kurreck, Felix Ehret, Sarah Dinges, Annika Hohm, Marlon Tilgner, Alexander Buko, Piet Habbel, Johannes Nowak, Nathaniel D. Mercaldo, Andrew Gusev, Adam S. Feldman, Leo L. Cheng
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Corrected solid-state 13C nuclear magnetic resonance peak assignment and side-group quantification of hydroxypropyl methylcellulose acetyl succinate pharmaceutical excipients Magn. Reson. Chem. (IF 2.0) Pub Date : 2023-08-30 Zhaoxi Zheng, Yongchao Su, Klaus Schmidt-Rohr
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Solution and solid-state 33S NMR studies of 33S-labeled taurine Magn. Reson. Chem. (IF 2.0) Pub Date : 2023-08-23 Yuichi Masuda, Shinobu Ohki, Yuuki Mogami, Kenzo Deguchi, Kenjiro Hashi, Atsushi Goto, Tadashi Shimizu, Kazuhiko Yamada
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Penindolacid A, a new indole alkaloid from the marine-derived fungus Penicillium sp. Magn. Reson. Chem. (IF 2.0) Pub Date : 2023-08-23 Jin-Xin Zhang, Bao-Dan Zhang, Ying Shi, Ya-Nan Zhai, Jin-Wei Ren, Lei Cai, Li-Yan Sun, Ling Liu
CONFLICT OF INTEREST STATEMENT The authors declare no conflict of interest.
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Use of carbon-13 NMR to identify known natural products by querying a nuclear magnetic resonance database—An assessment Magn. Reson. Chem. (IF 2.0) Pub Date : 2023-08-15 Jean-Marc Nuzillard