NMR-based Quantum Mechanical Analysis Builds Trust and Orthogonality in Structural Analysis: the Case of a Bisdesmosidic Triglycoside as Withania somnifera Aerial Parts Marker

ανά Bhavaraju, Sitaram, Taylor, David, Niemitz, Matthias, Lankin, David C., Bzhelyansky, Anton, Giancaspro, Gabriel I., Liu, Yang, Pauli, Guido F.
Τόπος έκδοσης J Nat Prod (2021)

NMR Reveals an Undeclared Constituent in Custom Synthetic Peptides

ανά Choules, Mary P., Bisson, Jonathan, Simmler, Charlotte, McAlpine, James B., Giancaspro, Gabriel, Bzhelyansky, Anton, Niemitz, Matthias, Pauli, Guido F.
Τόπος έκδοσης J Pharm Biomed Anal (2019)

Quantum Mechanical NMR Full Spin Analysis in Pharmaceutical Identity Testing and Quality Control

ανά Achanta, Prabhakar S., Jaki, Birgit U., McAlpine, James B., Friesen, J. Brent, Niemitz, Matthias, Chen, Shao-Nong, Pauli, Guido F.
Τόπος έκδοσης J Pharm Biomed Anal (2020)

Proton Fingerprints Portray Molecular Structures: Enhanced Description of the (1)H NMR Spectra of Small Molecules

ανά Napolitano, José G., Lankin, David C., McAlpine, James B., Niemitz, Matthias, Korhonen, Samuli-Petrus, Chen, Shao-Nong, Pauli, Guido F.
Έκδοση 2013

Evolution of Quantitative Measures in NMR: Quantum Mechanical qHNMR Advances Chemical Standardization of a Red Clover (Trifolium pratense) Extract

ανά Phansalkar, Rasika S., Simmler, Charlotte, Bisson, Jonathan, Chen, Shao-Nong, Lankin, David C., McAlpine, James B., Niemitz, Matthias, Pauli, Guido F.
Τόπος έκδοσης J Nat Prod (2017)

Quality Control of Therapeutic Peptides by (1)H NMR HiFSA Sequencing

ανά Choules, Mary P., Bisson, Jonathan, Gao, Wei, Lankin, David C., McAlpine, James B., Niemitz, Matthias, Jaki, Birgit U., Franzblau, Scott G., Pauli, Guido F.
Τόπος έκδοσης J Org Chem (2019)

Quantum Mechanics-Based Structure Analysis of Cyclic Monoterpene Glycosides from Rhodiola rosea

ανά Tang, Yu, Friesen, J. Brent, Lankin, David C., McAlpine, James B., Nikolić, Dejan, Niemitz, Matthias, Seigler, David S., Graham, James, Chen, Shao-Nong, Pauli, Guido F.
Τόπος έκδοσης J Nat Prod (2020)

The Essential Medicinal Chemistry of Cannabidiol (CBD)

ανά Nelson, Kathryn M., Bisson, Jonathan, Singh, Gurpreet, Graham, James G., Chen, Shao-Nong, Friesen, J. Brent, Dahlin, Jayme L., Niemitz, Matthias, Walters, Michael A., Pauli, Guido F.
Τόπος έκδοσης J Med Chem (2020)

Stereochemistry of a Second Riolozane and Other Diterpenoids from Jatropha dioica

ανά Melchor-Martínez, Elda M., Silva-Mares, David A., Torres-López, Ernesto, Waksman-Minsky, Noemí, Pauli, Guido F., Chen, Shao-Nong, Niemitz, Matthias, Sánchez-Castellanos, Mariano, Toscano, Alfredo, Cuevas, Gabriel, Rivas-Galindo, Verónica M.
Τόπος έκδοσης J Nat Prod (2017)

Subtle Chemical Shifts Explain the NMR Fingerprints of Oligomeric Proanthocyanidins with High Dentin Biomodification Potency

ανά Nam, Joo-Won, Phansalkar, Rasika S., Lankin, David C., Bisson, Jonathan, McAlpine, James B., Leme, Ariene A., Vidal, Cristina M. P., Ramirez, Benjamin, Niemitz, Matthias, Bedran-Russo, Ana, Chen, Shao-Nong, Pauli, Guido F.
Τόπος έκδοσης J Org Chem (2015)

Toward Structural Correctness: Aquatolide and the Importance of 1D Proton NMR FID Archiving

ανά Pauli, Guido F., Niemitz, Matthias, Bisson, Jonathan, Lodewyk, Michael W., Soldi, Cristian, Shaw, Jared T., Tantillo, Dean J., Saya, Jordy M., Vos, Klaas, Kleinnijenhuis, Roel A., Hiemstra, Henk, Chen, Shao-Nong, McAlpine, James B., Lankin, David C., Friesen, J. Brent
Τόπος έκδοσης J Org Chem (2016)

Essential Parameters for Structural Analysis and Dereplication by (1)H NMR Spectroscopy

ανά Pauli, Guido F., Chen, Shao-Nong, Lankin, David C., Bisson, Jonathan, Case, Ryan J., Chadwick, Lucas R., Gödecke, Tanja, Inui, Taichi, Krunic, Aleksej, Jaki, Birgit U., McAlpine, James B., Mo, Shunyan, Napolitano, José G., Orjala, Jimmy, Lehtivarjo, Juuso, Korhonen, Samuli-Petrus, Niemitz, Matthias
Έκδοση 2014

The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research

ανά McAlpine, James B., Chen, Shao-Nong, Kutateladze, Andrei, MacMillan, John B., Appendino, Giovanni, Barison, Andersson, Beniddir, Mehdi A., Biavatti, Maique W., Bluml, Stefan, Boufridi, Asmaa, Butler, Mark S., Capon, Robert J., Choi, Young H., Coppage, David, Crews, Phillip, Crimmins, Michael T., Csete, Marie, Dewapriya, Pradeep, Egan, Joseph M., Garson, Mary J., Genta-Jouve, Grégory, Gerwick, William H., Gross, Harald, Harper, Mary Kay, Hermanto, Precilia, Hook, James M., Hunter, Luke, Jeannerat, Damien, Ji, Nai-Yun, Johnson, Tyler A., Kingston, David G. I., Koshino, Hiroyuki, Lee, Hsiau-Wei, Lewin, Guy, Li, Jie, Linington, Roger G., Liu, Miaomiao, McPhail, Kerry L., Molinski, Tadeusz F., Moore, Bradley S., Nam, Joo-Won, Neupane, Ram P., Niemitz, Matthias, Nuzillard, Jean-Marc, Oberlies, Nicholas H., Ocampos, Fernanda M. M., Pan, Guohui, Quinn, Ronald J., Reddy, D. Sai, Renault, Jean-Hugues, Rivera-Chávez, José, Robien, Wolfgang, Saunders, Carla M., Schmidt, Thomas J., Seger, Christoph, Shen, Ben, Steinbeck, Christoph, Stuppner, Hermann, Sturm, Sonja, Taglialatela-Scafati, Orazio, Tantillo, Dean J., Verpoorte, Robert, Wang, Bin-Gui, Williams, Craig M., Williams, Philip G., Wist, Julien, Yue, Jian-Min, Zhang, Chen, Xu, Zhengren, Simmler, Charlotte, Lankin, David C., Bisson, Jonathan, Pauli, Guido F.
Τόπος έκδοσης Nat Prod Rep (2019)

Correction: The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research

ανά McAlpine, James B., Chen, Shao-Nong, Kutateladze, Andrei, MacMillan, John B., Appendino, Giovanni, Barison, Andersson, Beniddir, Mehdi A., Biavatti, Maique W., Bluml, Stefan, Boufridi, Asmaa, Butler, Mark S., Capon, Robert J., Choi, Young H., Coppage, David, Crews, Phillip, Crimmins, Michael T., Csete, Marie, Dewapriya, Pradeep, Egan, Joseph M., Garson, Mary J., Genta-Jouve, Grégory, Gerwick, William H., Gross, Harald, Harper, Mary Kay, Hermanto, Precilia, Hook, James M., Hunter, Luke, Jeannerat, Damien, Ji, Nai-Yun, Johnson, Tyler A., Kingston, David G. I., Koshino, Hiroyuki, Lee, Hsiau-Wei, Lewin, Guy, Li, Jie, Linington, Roger G., Liu, Miaomiao, McPhail, Kerry L., Molinski, Tadeusz F., Moore, Bradley S., Nam, Joo-Won, Neupane, Ram P., Niemitz, Matthias, Nuzillard, Jean-Marc, Oberlies, Nicholas H., Ocampos, Fernanda M. M., Pan, Guohui, Quinn, Ronald J., Sai Reddy, D., Renault, Jean-Hugues, Rivera-Chávez, José, Robien, Wolfgang, Saunders, Carla M., Schmidt, Thomas J., Seger, Christoph, Shen, Ben, Steinbeck, Christoph, Stuppner, Hermann, Sturm, Sonja, Taglialatela-Scafati, Orazio, Tantillo, Dean J., Verpoorte, Robert, Wang, Bin-Gui, Williams, Craig M., Williams, Philip G., Wist, Julien, Yue, Jian-Min, Zhang, Chen, Xu, Zhengren, Simmler, Charlotte, Lankin, David C., Bisson, Jonathan, Pauli, Guido F.
Τόπος έκδοσης Nat Prod Rep (2018)