title: Infrared and Raman spectroscopic methods for characterization of Taxus baccata L.--Improved taxane isolation by accelerated quality control and process surveillance.
abstract: Different yew species contain poisonous taxane alkaloids which serve as resources for semi-synthesis of anticancer drugs. The highly variable amounts of taxanes demand new methods for fast characterization of the raw plant material and the isolation of the target structures during phyto extraction. For that purpose, applicability of different vibrational spectroscopy methods in goods receipt of raw plant material and in process control was investigated and demonstrated in online tracking isolation and purification of the target taxane 10-deacetylbaccatin III (10-DAB) during solvent extraction. Applying near (NIRS) and mid infrared spectroscopy (IRS) the amount of botanical impurities in mixed samples of two different yew species (R(2)=0.993), the leave-to-wood ratio for Taxus baccata material (R(2)=0.94) and moisture in dried yew needles (R(2)=0.997) can be quantified. By partial least square analysis (PCA) needles of different Coniferales species were successfully discriminated by Attenuated Total Reflectance-Fourier-Transform Infrared Spectroscopy (ATR-FT-IR). The analytical potential of ATR-FT-IR and Fourier Transform-Raman Spectroscopy (FT-RS) in process control of extraction and purification of taxanes is demonstrated for determination of the water content in methanolic yew extracts (R(2)=0.999) and for quantification of 10-DAB (R(2)=0.98) on a highly sophisticated level. The decrease of 10-DAB in the plant tissue during extraction was successfully visualized by FT-IR imaging of thin cross sections providing new perspectives for process control and design.
authors.affiliation: Julius Kühn-Institut, Federal Research Centre for Cultivated Plants, Institute for Ecological Chemistry, Plant Analysis and Stored Product Protection, Königin-Luise-Strasse 19, 14195 Berlin, Germany; Freie Universität Berlin, Institute of Pharmacy, Königin-Luise-Strasse 2,4, 14195 Berlin, Germany. Electronic address: gennadi.gudi@jki.bund.de.
authors.forename: Gennadi
authors.initials: G
authors.lastname: Gudi
authors.affiliation: Julius Kühn-Institut, Federal Research Centre for Cultivated Plants, Institute for Ecological Chemistry, Plant Analysis and Stored Product Protection, Königin-Luise-Strasse 19, 14195 Berlin, Germany. Electronic address: andrea.kraehmer@jki.bund.de.
authors.forename: Andrea
authors.initials: A
authors.lastname: Krähmer
authors.affiliation: Clausthal University of Technology, Institute for Separation and Process Technology, Leibnizstrasse 15, 38678 Clausthal-Zellerfeld, Germany. Electronic address: koudous@itv.tu-clausthal.de.
authors.forename: Iraj
authors.initials: I
authors.lastname: Koudous
authors.affiliation: Clausthal University of Technology, Institute for Separation and Process Technology, Leibnizstrasse 15, 38678 Clausthal-Zellerfeld, Germany. Electronic address: strube@itv.tu-clausthal.de.
authors.forename: Jochen
authors.initials: J
authors.lastname: Strube
authors.affiliation: Julius Kühn-Institut, Federal Research Centre for Cultivated Plants, Institute for Ecological Chemistry, Plant Analysis and Stored Product Protection, Königin-Luise-Strasse 19, 14195 Berlin, Germany. Electronic address: hartwig.schulz@jki.bund.de.
authors.forename: Hartwig
authors.initials: H
authors.lastname: Schulz
mesh_terms: D005591:Chemical Fractionation / Q000379:methods*; D011786:Quality Control; D017550:Spectroscopy, Fourier Transform Infrared; D013059:Spectrum Analysis, Raman; D043823:Taxoids / Q000032:analysis / Q000302:isolation & purification*; D020946:Taxus / Q000737:chemistry* / Q000145:classification; D014867:Water / Q000032:analysis
chemical_list: D043823:Taxoids; D014867:Water; C042213:10-deacetylbaccatine III
keywords: 10-Deacetylbaccatin III; ATR-FT-IR spectroscopy; FT-Raman spectroscopy; NIRS; PCA; PLS