Publications Resulting from the qReference Project (RC2 AT005899 [NCCAM/NIH])

Note: publication titles include hyperlinks to the PMC page of each article.

14. Simmler C, Kulakowski D, Lankin DC, McAlpine JB, Chen SN, Pauli GF. Holistic Analysis Enhances the Description of Metabolic Complexity in Dietary Natural Products. Adv Nutr. 2016 Jan;7(1):179-89. Review. PubMed PMID: 27180381; PubMed Central PMCID: PMC4717887.

13. Simmler C, Anderson JR, Gauthier L, Lankin DC, McAlpine JB, Chen SN, Pauli GF. Metabolite Profiling and Classification of DNA-Authenticated Licorice Botanicals. J Nat Prod. 2015 Aug 28;78(8):2007-22. doi: 10.1021/acs.jnatprod.5b00342. Epub 2015 Aug 5. PubMed PMID: 26244884; PubMed Central PMCID: PMC4553119.

12. Napolitano JG, Simmler C, McAlpine JB, Lankin DC, Chen SN, Pauli GF. Digital NMR profiles as building blocks: assembling ¹H fingerprints of steviol glycosides. J Nat Prod. 2015 Apr 24;78(4):658-65. doi: 10.1021/np5008203. Epub 2015 Feb 25. PubMed PMID: 25714117; PubMed Central PMCID: PMC4696868.

11. Markus MA, Ferrier J, Luchsinger SM, Yuk J, Cuerrier A, Balick MJ, Hicks JM, Killday KB, Kirby CW, Berrue F, Kerr RG, Knagge K, Gödecke T, Ramirez BE, Lankin DC, Pauli GF, Burton I, Karakach TK, Arnason JT, Colson KL. Distinguishing Vaccinium species by chemical fingerprinting based on NMR spectra, validated with spectra collected in different laboratories. Planta Med. 2014 Jun;80(8-9):732-9. doi: 10.1055/s-0034-1368569. Epub 2014 Jun 25. PubMed PMID: 24963620; PubMed Central PMCID: PMC4242896.

10. Napolitano JG, Gödecke T, Lankin DC, Jaki BU, McAlpine JB, Chen SN, Pauli GF. Orthogonal analytical methods for botanical standardization: determination of green tea catechins by qNMR and LC-MS/MS. J Pharm Biomed Anal. 2014 May;93:59-67. doi: 10.1016/j.jpba.2013.06.017. Epub 2013 Jun 21. PubMed PMID: 23870106; PubMed Central PMCID: PMC3875626.

9. Simmler C, Napolitano JG, McAlpine JB, Chen SN, Pauli GF. Universal quantitative NMR analysis of complex natural samples. Curr Opin Biotechnol. 2014 Feb;25:51-9. doi: 10.1016/j.copbio.2013.08.004. Epub 2013 Sep 14. Review. PubMed PMID: 24484881; PubMed Central PMCID: PMC3912461.

8. Gödecke T, Napolitano JG, Rodríguez-Brasco MF, Chen SN, Jaki BU, Lankin DC, Pauli GF. Validation of a generic quantitative (1)H NMR method for natural products analysis. Phytochem Anal. 2013 Nov-Dec;24(6):581-97. doi: 10.1002/pca.2436. Epub 2013 Jun 5. PubMed PMID: 23740625; PubMed Central PMCID: PMC3990190.

7. Napolitano JG, Lankin DC, McAlpine JB, Niemitz M, Korhonen SP, Chen SN, Pauli GF. Proton fingerprints portray molecular structures: enhanced description of the 1H NMR spectra of small molecules. J Org Chem. 2013 Oct 4;78(19):9963-8. doi: 10.1021/jo4011624. Epub 2013 Sep 6. PubMed PMID: 24007197; PubMed Central PMCID: PMC3812940.

6. Napolitano JG, Lankin DC, Graf TN, Friesen JB, Chen SN, McAlpine JB, Oberlies NH, Pauli GF. HiFSA fingerprinting applied to isomers with near-identical NMR spectra: the silybin/isosilybin case. J Org Chem. 2013 Apr 5;78(7):2827-39. doi: 10.1021/jo302720h. Epub 2013 Mar 5. PubMed PMID: 23461697; PubMed Central PMCID: PMC3640553.

5. Napolitano JG, Lankin DC, Chen SN, Pauli GF. Complete 1H NMR spectral analysis of ten chemical markers of Ginkgo biloba. Magn Reson Chem. 2012 Aug;50(8):569-75. doi: 10.1002/mrc.3829. Epub 2012 Jun 22. PubMed PMID: 22730238; PubMed Central PMCID: PMC3590027.

4. Pauli GF, Gödecke T, Jaki BU, Lankin DC. Quantitative 1H NMR. Development and potential of an analytical method: an update. J Nat Prod. 2012 Apr 27;75(4):834-51. doi: 10.1021/np200993k. Epub 2012 Apr 6. Review. PubMed PMID: 22482996; PubMed Central PMCID: PMC3384681.

3. Qiu F, Imai A, McAlpine JB, Lankin DC, Burton I, Karakach T, Farnsworth NR, Chen SN, Pauli GF. Dereplication, residual complexity, and rational naming: the case of the Actaea triterpenes. J Nat Prod. 2012 Mar 23;75(3):432-43. doi: 10.1021/np200878s. Epub 2012 Feb 9. PubMed PMID: 22320430; PubMed Central PMCID: PMC3392135.

2. Napolitano JG, Gödecke T, Rodríguez-Brasco MF, Jaki BU, Chen SN, Lankin DC, Pauli GF. The tandem of full spin analysis and qHNMR for the quality control of botanicals exemplified with Ginkgo biloba. J Nat Prod. 2012 Feb 24;75(2):238-48. doi: 10.1021/np200949v. Epub 2012 Feb 14. PubMed PMID: 22332915; PubMed Central PMCID: PMC3388902.

1. Gödecke T, Yao P, Napolitano JG, Nikolić D, Dietz BM, Bolton JL, van Breemen RB, Farnsworth NR, Chen SN, Lankin DC, Pauli GF. Integrated standardization concept for Angelica botanicals using quantitative NMR. Fitoterapia. 2012 Jan;83(1):18-32. doi: 10.1016/j.fitote.2011.08.017. Epub 2011 Sep 1. PubMed PMID: 21907766; PubMed Central PMCID: PMC3380541.